WorldWideScience

Sample records for spectroscopic ellipsometry characterization

  1. Nanostructure characterization of high k materials by spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Pereira, L.; Aguas, H.; Fortunato, E.; Martins, R.

    2006-01-01

    In this work, the optical and structural properties of high k materials such as tantalum oxide and titanium oxide were studied by spectroscopic ellipsometry, where a Tauc-Lorentz dispersion model based in one (amorphous films) or two oscillators (microcrystalline films) was used. The samples were deposited at room temperature by radio frequency magnetron sputtering and then annealed at temperatures from 100 to 500 deg. C. Concerning the tantalum oxide films, the increase of the annealing temperature, up to 500 deg. C does not change the amorphous nature of the films, increasing, however, their density. The same does not happen with the titanium oxide films that are microcrystalline, even when deposited at room temperature. Data concerning the use of a four-layer model based on one and two Tauc-Lorentz dispersions is also discussed, emphasizing its use for the detection of an amorphous incubation layer, normally present on microcrystalline films grown by sputtering

  2. Characterization of ion-implanted aluminum and iron by spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Brodkin, J.S.; Franzen, W.; Culbertson, R.J.

    1990-01-01

    The change in the optical constants of aluminum alloy and iron samples caused by implantation with nitrogen and chromium ions has been investigated by spectroscopic ellipsometry. The objective is to develop a method for simple, non-destructive characterization of ion-implanted metals. 5 refs., 6 figs

  3. Characterization of plasmonic effects in thin films and metamaterials using spectroscopic ellipsometry

    NARCIS (Netherlands)

    Oates, T.W.H.; Wormeester, Herbert; Arwin, H.

    2011-01-01

    In this article, spectroscopic ellipsometry studies of plasmon resonances at metal–dielectric interfaces of thin films are reviewed. We show how ellipsometry provides valuable non-invasive amplitude and phase information from which one can determine the effective dielectric functions, and how these

  4. Multi-pass spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Stehle, Jean-Louis; Samartzis, Peter C.; Stamataki, Katerina; Piel, Jean-Philippe; Katsoprinakis, George E.; Papadakis, Vassilis; Schimowski, Xavier; Rakitzis, T. Peter; Loppinet, Benoit

    2014-01-01

    Spectroscopic ellipsometry is an established technique, particularly useful for thickness measurements of thin films. It measures polarization rotation after a single reflection of a beam of light on the measured substrate at a given incidence angle. In this paper, we report the development of multi-pass spectroscopic ellipsometry where the light beam reflects multiple times on the sample. We have investigated both theoretically and experimentally the effect of sample reflectivity, number of reflections (passes), angles of incidence and detector dynamic range on ellipsometric observables tanΨ and cosΔ. The multiple pass approach provides increased sensitivity to small changes in Ψ and Δ, opening the way for single measurement determination of optical thickness T, refractive index n and absorption coefficient k of thin films, a significant improvement over the existing techniques. Based on our results, we discuss the strengths, the weaknesses and possible applications of this technique. - Highlights: • We present multi-pass spectroscopic ellipsometry (MPSE), a multi-pass approach to ellipsometry. • Different detectors, samples, angles of incidence and number of passes were tested. • N passes improve polarization ratio sensitivity to the power of N. • N reflections improve phase shift sensitivity by a factor of N. • MPSE can significantly improve thickness measurements in thin films

  5. Optical properties and surface characterization of pulsed laser-deposited Cu2ZnSnS4 by spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Crovetto, Andrea; Cazzaniga, Andrea; Ettlinger, Rebecca B.; Schou, Jørgen; Hansen, Ole

    2015-01-01

    Cu 2 ZnSnS 4 films prepared by pulsed laser deposition at different temperatures are characterized by spectroscopic ellipsometry. The focus is on confirming results from direct measurement techniques, by finding appropriate models of the surface overlayer for data fitting, and extracting the dielectric function of the films. It is found that the surface overlayer changes with film thickness and deposition temperature. Adopting different ellipsometry measurements and modeling strategies for each film, dielectric functions are extracted and compared. As the deposition temperature is increased, the dielectric functions exhibit additional critical points related to optical transitions in the material other than absorption across the fundamental band gap. In the case of a thin film < 200 nm thick, surface features observed by scanning electron microscopy and atomic force microscopy are accurately reproduced by ellipsometry data fitting. - Highlights: • Inhomogeneous Cu 2 ZnSnS 4 films are prepared by pulsed laser deposition. • The film surface includes secondary phases and topographic structures. • We model a film surface layer that fits ellipsometry data. • Ellipsometry data fits confirm results from direct measurement techniques. • We obtain the dielectric function of inhomogeneous Cu 2 ZnSnS 4 films

  6. The optical characterization of organometallic complex thin films by spectroscopic ellipsometry and photovoltaic diode application

    Energy Technology Data Exchange (ETDEWEB)

    Özaydın, C. [Batman University, Engineering Faculty, Department of Computer Eng., Batman (Turkey); Güllü, Ö., E-mail: omergullu@gmail.com [Batman University, Science and Art Faculty, Department of Physics, Batman (Turkey); Pakma, O. [Batman University, Science and Art Faculty, Department of Physics, Batman (Turkey); Ilhan, S. [Siirt University, Science and Art Faculty, Department of Chemistry, Siirt (Turkey); Akkılıç, K. [Dicle University, Education Faculty, Department of Physics Education, Diyarbakır (Turkey)

    2016-05-15

    Highlights: • Optical properties and thickness of the A novel organometallic complex (OMC) film were investigated by spectroscopic ellipsometry (SE). • Au/OMC/n-Si metal/interlayer/semiconductor (MIS) diode has been fabricated • This paper presents the I–V analysis of Au/OMC/n-Si MIS diode. • Current–voltage and photovoltaic properties of the diode were investigated. - Abstract: In this work, organometallic complex (OMC) films have been deposited onto glass or silicon substrates by spin coating technique and their photovoltaic application potential has been investigated. Optical properties and thickness of the film have been investigated by spectroscopic ellipsometry (SE). Also, transmittance spectrum has been taken by UV/vis spectrophotometer. The optical method has been used to determine the band gap value of the films. Also, Au/OMC/n-Si metal/interlayer/semiconductor (MIS) diode has been fabricated. Current–voltage and photovoltaic properties of the structure were investigated. The ideality factor (n) and barrier height (Φ{sub b}) values of the diode were found to be 2.89 and 0.79 eV, respectively. The device shows photovoltaic behavior with a maximum open-circuit voltage of 396 mV and a short circuit current of 33.8 μA under 300 W light.

  7. The optical characterization of organometallic complex thin films by spectroscopic ellipsometry and photovoltaic diode application

    International Nuclear Information System (INIS)

    Özaydın, C.; Güllü, Ö.; Pakma, O.; Ilhan, S.; Akkılıç, K.

    2016-01-01

    Highlights: • Optical properties and thickness of the A novel organometallic complex (OMC) film were investigated by spectroscopic ellipsometry (SE). • Au/OMC/n-Si metal/interlayer/semiconductor (MIS) diode has been fabricated • This paper presents the I–V analysis of Au/OMC/n-Si MIS diode. • Current–voltage and photovoltaic properties of the diode were investigated. - Abstract: In this work, organometallic complex (OMC) films have been deposited onto glass or silicon substrates by spin coating technique and their photovoltaic application potential has been investigated. Optical properties and thickness of the film have been investigated by spectroscopic ellipsometry (SE). Also, transmittance spectrum has been taken by UV/vis spectrophotometer. The optical method has been used to determine the band gap value of the films. Also, Au/OMC/n-Si metal/interlayer/semiconductor (MIS) diode has been fabricated. Current–voltage and photovoltaic properties of the structure were investigated. The ideality factor (n) and barrier height (Φ_b) values of the diode were found to be 2.89 and 0.79 eV, respectively. The device shows photovoltaic behavior with a maximum open-circuit voltage of 396 mV and a short circuit current of 33.8 μA under 300 W light.

  8. Spectroscopic ellipsometry characterization of interface reactivity in GaAs-based superlattices

    Energy Technology Data Exchange (ETDEWEB)

    Losurdo, M.; Giuva, D.; Giangregorio, M.M.; Bruno, G.; Brown, A.S

    2004-05-01

    Pseudodielectric function spectra of GaAs/GaSb{sub 1-y}As{sub y}, GaSb/GaAs{sub y}Sb{sub 1-y} and GaAs/GaP{sub y}As{sub 1-y} superlattices have been measured by spectroscopic ellipsometry in the 0.75-5.5 eV photon energy range. The analysis of the E{sub 1} interband critical point and modeling of spectra has been carried out to investigate the chemistry of the anion exchange reaction and abruptness of interface composition in the superlattices. It has been found that a ternary compound GaP{sub y}As{sub 1-y} forms in the case of the P-for-As anion exchange reaction. In the case of As-for-Sb anion exchange reaction for (GaSb/GaAs{sub y}Sb{sub 1-y}){sub 20} SLs, SE data show that this anion exchange results in the formation not only of a ternary alloy GaAs{sub y}Sb{sub 1-y}, but also in the formation of isoelectronic compounds AsSb{sub x} that segregate at the GaSb/GaAs interface. In the case of Sb-for-As anion exchange for (GaAs/GaSbyAs{sub 1-y}){sub 20} SLs, Sb segregates at the GaAs surface.

  9. Characterization of μc-Si:H/a-Si:H tandem solar cell structures by spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Murata, Daisuke; Yuguchi, Tetsuya; Fujiwara, Hiroyuki

    2014-01-01

    In order to perform the structural characterization of Si thin-film solar cells having submicron-size rough textured surfaces, we have developed an optical model that can be utilized for the spectroscopic ellipsometry (SE) analysis of a multilayer solar cell structure consisting of hydrogenated amorphous silicon (a-Si:H) and microcrystalline silicon (μc-Si:H) layers fabricated on textured SnO 2 :F substrates. To represent the structural non-uniformity in the textured structure, the optical response has been calculated from two regions with different thicknesses of the Si layers. Moreover, in the optical model, the interface layers are modeled by multilayer structures assuming two-phase composites and the volume fractions of the phases in the layers are controlled by the structural curvature factor. The polarized reflection from the μc-Si:H layer that shows extensive surface roughening during the growth has also been modeled. In this study, a state-of-the-art solar cell structure with the textured μc-Si:H (2000 nm)/ZnO (100 nm)/a-Si:H (200 nm)/SnO 2 :F/glass substrate structure has been characterized. The μc-Si:H/a-Si:H textured structure deduced from our SE analysis shows remarkable agreement with that observed by transmission electron microscopy. From the above results, we have demonstrated the high-precision characterization of highly-textured μc-Si:H/a-Si:H solar cell structures. - Highlights: • Characterization of textured μc-Si:H/a-Si:H solar cell structures by ellipsometry • A new optical model using surface area and multilayer models • High precision characterization of submicron-range rough interface structures

  10. Optical properties of metals by spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Arakawa, E.T.; Inagaki, T.; Williams, M.W.

    1979-01-01

    The use of spectroscopic ellipsometry for the accurate determination of the optical properties of liquid and solid metals is discussed and illustrated with previously published data for Li and Na. New data on liquid Sn and Hg from 0.6 to 3.7 eV are presented. Liquid Sn is Drude-like. The optical properties of Hg deviate from the Drude expressions, but simultaneous measurements of reflectance and ellipsometric parameters yield consistent results with no evidence for vectorial surface effects

  11. How spectroscopic ellipsometry can aid graphene technology?

    Energy Technology Data Exchange (ETDEWEB)

    Losurdo, Maria, E-mail: maria.losurdo@cnr.it; Giangregorio, Maria M.; Bianco, Giuseppe V.; Capezzuto, Pio; Bruno, Giovanni

    2014-11-28

    We explore the effects of substrate, grain size, oxidation and cleaning on the optical properties of chemical vapor deposited polycrystalline monolayer graphene exploiting spectroscopic ellipsometry in the NIR-Vis–UV range. Both Drude–Lorentz oscillators' and point-by-point fit approaches are used to analyze the ellipsometric spectra. For monolayer graphene, since anisotropy cannot be resolved, an isotropic model is used. A prominent absorption peak at approximately 4.8 eV, which is a mixture of π–π* interband transitions at the M-point of the Brillouin zone and of the π-plasmonic excitation, is observed. We discuss the sensitivity of this peak to the structural and cleaning quality of graphene. The comparison with previous published dielectric function spectra of graphene is discussed giving a rationale for the observed differences. - Highlights: • Optical properties of graphene are determined by ellipsometry on copper and on glass. • Optical spectra reveal the cleaning quality of transferred graphene. • Sensitivity of absorption peak to graphene structural quality is proven. • Optical properties are proven to be sensitive to oxidation of graphene. • Electronic interaction with substrate affects graphene optical properties.

  12. Albumin adsorption on oxide thin films studied by spectroscopic ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Silva-Bermudez, P., E-mail: suriel21@yahoo.com [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito Exterior s/n, C.U., 04510, Mexico D.F. (Mexico); Unidad de Posgrado, Facultad de Odontologia, Universidad Nacional Autonoma de Mexico, CU, 04510, Mexico D.F. (Mexico); Rodil, S.E.; Muhl, S. [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito Exterior s/n, C.U., 04510, Mexico D.F. (Mexico)

    2011-12-15

    Thin films of tantalum, niobium, zirconium and titanium oxides were deposited by reactive magnetron sputtering and their wettability and surface energy, optical properties, roughness, chemical composition and microstructure were characterized using contact angle measurements, spectroscopic ellipsometry, profilometry, X-ray photoelectron spectroscopy and X-ray diffraction, respectively. The purpose of the work was to correlate the surface properties of the films to the Bovine Serum Albumin (BSA) adsorption, as a first step into the development of an initial in vitro test of the films biocompatibility, based on standardized protein adsorption essays. The films were immersed into BSA solutions with different protein concentrations and protein adsorption was monitored in situ by dynamic ellipsometry; the adsorption-rate was dependent on the solution concentration and the immersion time. The overall BSA adsorption was studied in situ using spectroscopic ellipsometry and it was found to be influenced by the wettability of the films; larger BSA adsorption occurred on the more hydrophobic surface, the ZrO{sub 2} film. On the Ta{sub 2}O{sub 5}, Nb{sub 2}O{sub 5} and TiO{sub 2} films, hydrophilic surfaces, the overall BSA adsorption increased with the surface roughness or the polar component of the surface energy.

  13. Efficient thin-film stack characterization using parametric sensitivity analysis for spectroscopic ellipsometry in semiconductor device fabrication

    Energy Technology Data Exchange (ETDEWEB)

    Likhachev, D.V., E-mail: dmitriy.likhachev@globalfoundries.com

    2015-08-31

    During semiconductor device fabrication, control of the layer thicknesses is an important task for in-line metrology since the correct thickness values are essential for proper device performance. At the present time, ellipsometry is widely used for routine process monitoring and process improvement as well as characterization of various materials in the modern nanoelectronic manufacturing. The wide recognition of this technique is based on its non-invasive, non-intrusive and non-destructive nature, high measurement precision, accuracy and speed, and versatility to characterize practically all types of materials used in modern semiconductor industry (dielectrics, semiconductors, metals, polymers, etc.). However, it requires the use of one of the multi-parameter non-linear optimization methods due to its indirect nature. This fact creates a big challenge for analysis of multilayered structures since the number of simultaneously determined model parameters, for instance, thin film thicknesses and model variables related to film optical properties, should be restricted due to parameter cross-correlations. In this paper, we use parametric sensitivity analysis to evaluate the importance of various model parameters and to suggest their optimal search ranges. In this work, the method is applied practically for analysis of a few structures with up to five-layered film stack. It demonstrates an evidence-based improvement in accuracy of multilayered thin-film thickness measurements which suggests that the proposed approach can be useful for industrial applications. - Highlights: • An improved method for multilayered thin-film stack characterization is proposed. • The screening-type technique based on so-called “elementary effects” was employed. • The model parameters were ranked according to relative importance for model output. • The method is tested using two examples of complex thin-film stack characterization. • The approach can be useful in many practical

  14. Efficient thin-film stack characterization using parametric sensitivity analysis for spectroscopic ellipsometry in semiconductor device fabrication

    International Nuclear Information System (INIS)

    Likhachev, D.V.

    2015-01-01

    During semiconductor device fabrication, control of the layer thicknesses is an important task for in-line metrology since the correct thickness values are essential for proper device performance. At the present time, ellipsometry is widely used for routine process monitoring and process improvement as well as characterization of various materials in the modern nanoelectronic manufacturing. The wide recognition of this technique is based on its non-invasive, non-intrusive and non-destructive nature, high measurement precision, accuracy and speed, and versatility to characterize practically all types of materials used in modern semiconductor industry (dielectrics, semiconductors, metals, polymers, etc.). However, it requires the use of one of the multi-parameter non-linear optimization methods due to its indirect nature. This fact creates a big challenge for analysis of multilayered structures since the number of simultaneously determined model parameters, for instance, thin film thicknesses and model variables related to film optical properties, should be restricted due to parameter cross-correlations. In this paper, we use parametric sensitivity analysis to evaluate the importance of various model parameters and to suggest their optimal search ranges. In this work, the method is applied practically for analysis of a few structures with up to five-layered film stack. It demonstrates an evidence-based improvement in accuracy of multilayered thin-film thickness measurements which suggests that the proposed approach can be useful for industrial applications. - Highlights: • An improved method for multilayered thin-film stack characterization is proposed. • The screening-type technique based on so-called “elementary effects” was employed. • The model parameters were ranked according to relative importance for model output. • The method is tested using two examples of complex thin-film stack characterization. • The approach can be useful in many practical

  15. In situ spectroscopic ellipsometry as a surface sensitive tool to probe thin film growth

    International Nuclear Information System (INIS)

    Liu, C.

    1999-01-01

    Sputtered thin film and multilayer x-ray mirrors are made routinely at the Advanced Photon Source (APS) for the APS users. Precise film growth control and characterization are very critical in fabricating high-quality x-ray mirrors. Film thickness calibrations are carried out using in situ and ex situ spectroscopic ellipsometry, interferometry, and x-ray scattering. To better understand the growth and optical properties of different thin film systems, we have carried out a systematic study of sputtered thin films of Au, Rh, Pg Pd, Cu, and Cr, using in situ ellipsometry. Multiple data sets were obtained in situ for each film material with incremental thicknesses and were analyzed with their correlation in mind. We found that in situ spectroscopic ellipsometry as a surface-sensitive tool can also be used to probe the growth and morphology of the thin film system. This application of in situ spectroscopic ellipsometry for metal thin film systems will be discussed

  16. Confinement in single walled carbon nanotubes investigated by spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Battie, Y.; Jamon, D.; Lauret, J.S.; Gu, Q.; Gicquel-Guézo, M.; En Naciri, A.; Loiseau, A.

    2014-01-01

    Thick films of single walled carbon nanotubes (SWCNTs) with different diameter and chirality distributions are characterized by combining transmission electron microscopy and spectroscopic ellipsometry. The dependence of the dielectric function with the increase of the SWCNT diameter occurs with a drastic redshift of the S 11 , S 22 and M 11 transition energies. The transfer integral parameter γ 0 of SWCNT is also evaluated and analyzed. We demonstrate that parts of the optical properties of SWCNTs are attributed to a one dimensional confinement effect. - Highlights: • Ellipsometric measurements are performed on carbon nanotube thick films. • The complex dielectric functions of conventional carbon nanotubes are given. • Confinement effects explain the variations of dielectric function of nanotubes

  17. Infrared spectroscopic ellipsometry of micrometer-sized SiO2 line gratings

    Science.gov (United States)

    Walder, Cordula; Zellmeier, Matthias; Rappich, Jörg; Ketelsen, Helge; Hinrichs, Karsten

    2017-09-01

    For the design and process control of periodic nano-structured surfaces spectroscopic ellipsometry is already established in the UV-VIS spectral regime. The objective of this work is to show the feasibility of spectroscopic ellipsometry in the infrared, exemplarily, on micrometer-sized SiO2 line gratings grown on silicon wafers. The grating period ranges from 10 to about 34 μm. The IR-ellipsometric spectra of the gratings exhibit complex changes with structure variations. Especially in the spectral range of the oxide stretching modes, the presence of a Rayleigh singularity can lead to pronounced changes of the spectrum with the sample geometry. The IR-ellipsometric spectra of the gratings are well reproducible by calculations with the RCWA method (Rigorous Coupled Wave Analysis). Therefore, infrared spectroscopic ellipsometry allows the quantitative characterization and process control of micrometer-sized structures.

  18. Normal-incidence spectroscopic ellipsometry for critical dimension monitoring

    International Nuclear Information System (INIS)

    Huang, Hsu-Ting; Kong, Wei; Terry, Fred Lewis

    2001-01-01

    In this letter, we show that normal-incidence spectroscopic ellipsometry can be used for high-accuracy topography measurements on surface relief gratings. We present both experimental and theoretical results which show that spectroscopic ellipsometry or reflectance-difference spectroscopy at near-normal incidence coupled with vector diffraction theory for data analysis is capable of high-accuracy critical dimension (CD), feature height, and sidewall angle measurements in the extreme submicron regime. Quantitative comparisons of optical and cross-sectional scanning electron microscopy (SEM) topography measurements from a number of 350 nm line/space reactive-ion-etched Si gratings demonstrate the strong potential for in situ etching monitoring. This technique can be used for both ex situ and in situ applications and has the potential to replace the use of CD-SEM measurements in some applications. [copyright] 2001 American Institute of Physics

  19. Mueller matrix spectroscopic ellipsometry study of chiral nanocrystalline cellulose films

    Science.gov (United States)

    Mendoza-Galván, Arturo; Muñoz-Pineda, Eloy; Ribeiro, Sidney J. L.; Santos, Moliria V.; Järrendahl, Kenneth; Arwin, Hans

    2018-02-01

    Chiral nanocrystalline cellulose (NCC) free-standing films were prepared through slow evaporation of aqueous suspensions of cellulose nanocrystals in a nematic chiral liquid crystal phase. Mueller matrix (MM) spectroscopic ellipsometry is used to study the polarization and depolarization properties of the chiral films. In the reflection mode, the MM is similar to the matrices reported for the cuticle of some beetles reflecting near circular left-handed polarized light in the visible range. The polarization properties of light transmitted at normal incidence for different polarization states of incident light are discussed. By using a differential decomposition of the MM, the structural circular birefringence and dichroism of a NCC chiral film are evaluated.

  20. Spectroscopic ellipsometry analysis of a thin film composite membrane consisting of polysulfone on a porous α-alumina support.

    Science.gov (United States)

    Ogieglo, Wojciech; Wormeester, Herbert; Wessling, Matthias; Benes, Nieck E

    2012-02-01

    Exposure of a thin polymer film to a fluid can affect properties of the film such as the density and thickness. In particular in membrane technology, these changes can have important implications for membrane performance. Spectroscopic ellipsometry is a convenient technique for in situ studies of thin films, because of its noninvasive character and very high precision. The applicability of spectroscopic ellipsometry is usually limited to samples with well-defined interfacial regions, whereas in typical composite membranes, often substantial and irregular intrusion of the thin film into the pores of a support exists. In this work, we provide a detailed characterization of a polished porous alumina membrane support, using variable-angle spectroscopic ellipsometry in combination with atomic force microscopy and mercury porosimetry. Two Spectroscopic ellipsometry optical models are presented that can adequately describe the surface roughness of the support. These models consider the surface roughness as a distinct layer in which the porosity gradually increases toward the outer ambient interface. The first model considers the porosity profile to be linear; the second model assumes an exponential profile. It is shown that the models can be extended to account for a composite membrane geometry, by deposition of a thin polysulfone film onto the support. The developed method facilitates practicability for in situ spectroscopic ellipsometry studies of nonequilibrium systems, i.e., membranes under actual permeation conditions.

  1. Spectroscopic ellipsometry characterization of amorphous and crystalline TiO2 thin films grown by atomic layer deposition at different temperatures

    Science.gov (United States)

    Saha, D.; Ajimsha, R. S.; Rajiv, K.; Mukherjee, C.; Gupta, M.; Misra, P.; Kukreja, L. M.

    2014-10-01

    TiO2 thin films of widely different structural and morphological characteristics were grown on Si (1 0 0) substrates using Atomic Layer Deposition (ALD) by varying the substrate temperature (Ts) in a wide range (50 °C ≤ Ts ≤ 400 °C). Spectroscopic ellipsometry (SE) measurements were carried out to investigate the effect of growth temperature on the optical properties of the films. Measured SE data were analyzed by considering double layer optical model for the sample together with the single oscillator Tauc-Lorentz dispersion relation. Surface roughness was taken into consideration due to the columnar growths of grains in crystalline films. The refractive index was found to be increased from amorphous (Ts ≤ 150 °C) to the nanocrystalline films (2500 < Ts ≤ 400 °C). The pronounced surface roughening for the large-grained anatase film obtained at the amorphous to crystalline phase transformation temperature of 200 °C, impeded SE measurement. The dispersions of refractive indices below the interband absorption edge were found to be strongly correlated with the single oscillator Wemple-DiDomenico (WD) model. The increase in dispersion energy parameter in WD model from disordered amorphous to the more ordered nanocrystalline films was found to be associated with the increase in the film density and coordination number.

  2. Characterization of molecular organization in pentacene thin films on SiO{sub 2} surface using infrared spectroscopy, spectroscopic ellipsometry, and atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Frątczak, E.Z., E-mail: ewelinazofia@gmail.com [Faculty of Physics and Applied Informatics, University of Łódź, 90-236 Łódź, Pomorska 149/153 (Poland); Uznański, P., E-mail: puznansk@cbmm.lodz.pl [Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences, 90-363 Łódź, Sienkiewicza 112 (Poland); Moneta, M.E. [Faculty of Physics and Applied Informatics, University of Łódź, 90-236 Łódź, Pomorska 149/153 (Poland)

    2015-07-29

    Highlights: • Pentacene thin films of different thickness grown onto SiO{sub 2} substrates were studied. • Polarized IR GATR spectra were recorded and conclusions on pentacene orientation were deduced. • Optical anisotropic properties and morphology of pentacene films were analyzed. • Dielectric properties vary to some extent with the film thickness. - Abstract: Thin films of pentacene of 32 and 100 nm thickness obtained by organic molecular beam deposition (OMBD) in high vacuum conditions onto silicon/native silica (Si/SiO{sub 2}) and fused silica substrates were examined. Alignment, anisotropic optical properties and morphology were studied in ambient conditions using infrared (IR) transmission and polarized grazing angle attenuated total reflection (GATR) techniques, variable angle spectroscopic ellipsometry (VASE), UV–VIS absorption, and atomic force microscopy (AFM). For the first time dichroic GATR IR spectra were recorded for such thin films and conclusions on pentacene orientation were deduced on the basis of dichroic ratio of the IR-active vibrations. The symmetry assignment of the vibrational transitions is also discussed. The films exhibit continuous globular texture with uniaxial alignment of pentacene molecules and strongly anisotropic optical properties evidenced in the ellipsometric measurements. The results revealed that there are some quantitative differences in the orientation and in the dielectric properties between the two pentacene films of different thickness.

  3. Characterisation of thin films by phase modulated spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Bhattacharyya, D.; Das, N.C.

    1998-07-01

    A wide variety of thin film coatings, deposited by different techniques and with potential applications in various important areas, have been characterised by the Phase Modulated Spectroscopic Ellipsometer, installed recently in the Spectroscopy Division, B.A.R.C. The Phase Modulated technique provides a faster and more accurate data acquisition process than the conventional ellipsometry. The measured Ellipsometry spectra are fitted with theoretical spectra generated assuming an appropriate model regarding the sample. The fittings have been done objectively by minimising the squared difference (χ 2 ) between the measured and calculated values of the ellipsometric parameters and thus accurate information have been derived regarding the thickness and optical constants (viz, the refractive index and extinction coefficient) of the different layers, the surface roughness and the inhomogeneities present in the layers. Measurements have been done on (i) ion-implanted Si-wafers to investigate the formation of SiC layers, (ii) phenyl- silane coating on glass to investigate the surface modifications achieved for better adsorption of rhodamine dye on glass, (iii) GaN films on quartz to investigate the formation of high quality GaN layers by sputtering of GaAs targets, (iv) Diamond-like-coating (DLC) samples prepared by Chemical Vapour Deposition (CVD) to investigate the optical properties which would ultimately lead to an accurate estimation of the ratio of sp 3 and sp 2 bonded carbon atoms in the films and (v) SS 304 under different surface treatments to investigate the growth of different passive films. (author)

  4. Spectroscopic ellipsometry study of FePt nanoparticle films

    Energy Technology Data Exchange (ETDEWEB)

    Lee, S.J.; Lo, C.C.H. [Ames Laboratory, Iowa State University, Ames, IA 50011 (United States); Yu, A.C.C. [Sony Corporation, Sendai Technology Center, 3-4-1 Sakuragi, Miyagi 985-0842 (Japan); Fan, M. [School of Materials Science and Technology, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States)

    2006-12-15

    The optical properties of a FePt nanoparticle film were investigated using spectroscopic ellipsometry. The FePt nanoparticle film of thickness about 15 nm was prepared by deposition of FePt nanoparticles directly on a Si substrate. The nanoparticle film was annealed at 600 C in vacuum for two hours before the measurements. The optical properties of the FePt nanoparticle film showed distinctively different spectra from those obtained from the bulk and thin film FePt samples, in particular in the low photon energy range (below 3.5 eV) where the nanoparticle film exhibited a relatively flat refractive index and a substantially lower extinction coefficient than the bulk and epitaxial thin film samples. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  5. Spectroscopic ellipsometry characterization of amorphous and crystalline TiO{sub 2} thin films grown by atomic layer deposition at different temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Saha, D., E-mail: babaisps@rrcat.gov.in [Laser Materials Processing Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India); Ajimsha, R.S. [Laser Materials Processing Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India); Rajiv, K.; Mukherjee, C. [Mechanical and Optical Support Section, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India); Gupta, M. [UGC-DAE Consortium, Indore Centre, Khandwa Road, Indore 452017 (India); Misra, P.; Kukreja, L.M. [Laser Materials Processing Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India)

    2014-10-01

    Highlights: • Refractive index was found to be increased from amorphous to the nanocrystalline films. • Refractive index was found to be inversely proportional with growth per cycle. • Large-grained anatase films showed lower refractive indices than the amorphous films. • Roughness was taken into consideration due to the columnar growths of crystalline films. - Abstract: TiO{sub 2} thin films of widely different structural and morphological characteristics were grown on Si (1 0 0) substrates using Atomic Layer Deposition (ALD) by varying the substrate temperature (T{sub s}) in a wide range (50 °C ≤ T{sub s} ≤ 400 °C). Spectroscopic ellipsometry (SE) measurements were carried out to investigate the effect of growth temperature on the optical properties of the films. Measured SE data were analyzed by considering double layer optical model for the sample together with the single oscillator Tauc-Lorentz dispersion relation. Surface roughness was taken into consideration due to the columnar growths of grains in crystalline films. The refractive index was found to be increased from amorphous (T{sub s} ≤ 150 °C) to the nanocrystalline films (250{sup 0} < T{sub s} ≤ 400 °C). The pronounced surface roughening for the large-grained anatase film obtained at the amorphous to crystalline phase transformation temperature of 200 °C, impeded SE measurement. The dispersions of refractive indices below the interband absorption edge were found to be strongly correlated with the single oscillator Wemple–DiDomenico (WD) model. The increase in dispersion energy parameter in WD model from disordered amorphous to the more ordered nanocrystalline films was found to be associated with the increase in the film density and coordination number.

  6. Investigation of the optical properties of MoS{sub 2} thin films using spectroscopic ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Yim, Chanyoung; O' Brien, Maria; Winters, Sinéad [School of Chemistry, Trinity College Dublin, Dublin 2 (Ireland); Centre for Research on Adaptive Nanostructures and Nanodevices (CRANN), Trinity College Dublin, Dublin 2 (Ireland); McEvoy, Niall [Centre for Research on Adaptive Nanostructures and Nanodevices (CRANN), Trinity College Dublin, Dublin 2 (Ireland); Mirza, Inam; Lunney, James G. [Centre for Research on Adaptive Nanostructures and Nanodevices (CRANN), Trinity College Dublin, Dublin 2 (Ireland); School of Physics, Trinity College Dublin, Dublin 2 (Ireland); Duesberg, Georg S., E-mail: duesberg@tcd.ie [School of Chemistry, Trinity College Dublin, Dublin 2 (Ireland); Centre for Research on Adaptive Nanostructures and Nanodevices (CRANN), Trinity College Dublin, Dublin 2 (Ireland); Advanced Materials and BioEngineering Research (AMBER) Centre, Trinity College Dublin, Dublin 2 (Ireland)

    2014-03-10

    Spectroscopic ellipsometry (SE) characterization of layered transition metal dichalcogenide (TMD) thin films grown by vapor phase sulfurization is reported. By developing an optical dispersion model, the extinction coefficient and refractive index, as well as the thickness of molybdenum disulfide (MoS{sub 2}) films, were extracted. In addition, the optical band gap was obtained from SE and showed a clear dependence on the MoS{sub 2} film thickness, with thinner films having a larger band gap energy. These results are consistent with theory and observations made on MoS{sub 2} flakes prepared by exfoliation, showing the viability of vapor phase derived TMDs for optical applications.

  7. Investigation of the optical properties of MoS2 thin films using spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Yim, Chanyoung; O'Brien, Maria; Winters, Sinéad; McEvoy, Niall; Mirza, Inam; Lunney, James G.; Duesberg, Georg S.

    2014-01-01

    Spectroscopic ellipsometry (SE) characterization of layered transition metal dichalcogenide (TMD) thin films grown by vapor phase sulfurization is reported. By developing an optical dispersion model, the extinction coefficient and refractive index, as well as the thickness of molybdenum disulfide (MoS 2 ) films, were extracted. In addition, the optical band gap was obtained from SE and showed a clear dependence on the MoS 2 film thickness, with thinner films having a larger band gap energy. These results are consistent with theory and observations made on MoS 2 flakes prepared by exfoliation, showing the viability of vapor phase derived TMDs for optical applications

  8. Optical properties of monolayer transition metal dichalcogenides probed by spectroscopic ellipsometry

    KAUST Repository

    Liu, Hsiang-Lin

    2014-11-17

    Spectroscopic ellipsometry was used to characterize the complex refractive index of chemical-vapor-deposited monolayer transition metal dichalcogenides (TMDs). The extraordinary large value of the refractive index in the visible frequency range is obtained. The absorption response shows a strong correlation between the magnitude of the exciton binding energy and band gap energy. Together with the observed giant spin-orbit splitting, these findings advance the fundamental understanding of their novel electronic structures and the development of monolayer TMDs-based optoelectronic and spintronic devices.

  9. Optical properties of monolayer transition metal dichalcogenides probed by spectroscopic ellipsometry

    KAUST Repository

    Liu, Hsiang-Lin; Shen, Chih-Chiang; Su, Sheng-Han; Hsu, Chang-Lung; Li, Ming-Yang; Li, Lain-Jong

    2014-01-01

    Spectroscopic ellipsometry was used to characterize the complex refractive index of chemical-vapor-deposited monolayer transition metal dichalcogenides (TMDs). The extraordinary large value of the refractive index in the visible frequency range is obtained. The absorption response shows a strong correlation between the magnitude of the exciton binding energy and band gap energy. Together with the observed giant spin-orbit splitting, these findings advance the fundamental understanding of their novel electronic structures and the development of monolayer TMDs-based optoelectronic and spintronic devices.

  10. Spectroscopic ellipsometry investigations of optical anisotropy in obliquely deposited hafnia thin films

    Energy Technology Data Exchange (ETDEWEB)

    Tokas, R. B., E-mail: tokasstar@gmail.com; Jena, Shuvendu; Thakur, S.; Sahoo, N. K. [Atomic & Molecular Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai-85 (India); Haque, S. Maidul; Rao, K. Divakar [Photonics & Nanotechnology Section, Atomic & Molecular Physics Division, Bhabha Atomic Research Centre facility, Visakhapatnam-530012 (India)

    2016-05-23

    In present work, HfO{sub 2} thin films have been deposited at various oblique incidences on Si substrates by electron beam evaporation. These refractory oxide films exhibited anisotropy in refractive index predictably due to special columnar microstructure. Spectroscopic ellipsometry being a powerful tool for optical characterization has been employed to investigate optical anisotropy. It was observed that the film deposited at glancing angle (80°) exhibits the highest optical anisotropy. Further, anisotropy was noticed to decrease with lower values of deposition angles while effective refractive index depicts opposite trend. Variation in refractive index and anisotropy has been explained in light of atomic shadowing during growth of thin films at oblique angles.

  11. Optical properties and surface characterization of pulsed laser-deposited Cu2ZnSnS4 by spectroscopic ellipsometry

    DEFF Research Database (Denmark)

    Crovetto, Andrea; Cazzaniga, Andrea Carlo; Ettlinger, Rebecca Bolt

    2015-01-01

    the dielectric function of the films. It is found that the surface overlayer changes with film thickness and deposition temperature. Adopting different ellipsometry measurements and modeling strategies for each film, dielectric functions are extracted and compared. As the deposition temperature is increased...

  12. Spectroscopic ellipsometry and polarimetry for materials and systems analysis at the nanometer scale: state-of-the-art, potential, and perspectives

    Science.gov (United States)

    Bergmair, Michael; Bruno, Giovanni; Cattelan, Denis; Cobet, Christoph; de Martino, Antonello; Fleischer, Karsten; Dohcevic-Mitrovic, Zorana; Esser, Norbert; Galliet, Melanie; Gajic, Rados; Hemzal, Dušan; Hingerl, Kurt; Humlicek, Josef; Ossikovski, Razvigor; Popovic, Zoran V.; Saxl, Ottilia

    2009-01-01

    This paper discusses the fundamentals, applications, potential, limitations, and future perspectives of polarized light reflection techniques for the characterization of materials and related systems and devices at the nanoscale. These techniques include spectroscopic ellipsometry, polarimetry, and reflectance anisotropy. We give an overview of the various ellipsometry strategies for the measurement and analysis of nanometric films, metal nanoparticles and nanowires, semiconductor nanocrystals, and submicron periodic structures. We show that ellipsometry is capable of more than the determination of thickness and optical properties, and it can be exploited to gain information about process control, geometry factors, anisotropy, defects, and quantum confinement effects of nanostructures. PMID:21170135

  13. Spectroscopic ellipsometry and polarimetry for materials and systems analysis at the nanometer scale: state-of-the-art, potential, and perspectives

    Energy Technology Data Exchange (ETDEWEB)

    Losurdo, Maria, E-mail: maria.losurdo@ba.imip.cnr.i [National Council of Research-Institute of Inorganic Methodologies and of Plasmas, CNR-IMIP (Italy); Bergmair, Michael [Johannes Kepler University Linz, Christian Doppler Laboratory for Surface Optics, Center for Surface- and Nanoanalytics (Austria); Bruno, Giovanni [National Council of Research-Institute of Inorganic Methodologies and of Plasmas, CNR-IMIP (Italy); Cattelan, Denis, E-mail: denis.cattelan@horiba.co [HORIBA Scientific, Thin Film Division (France); Cobet, Christoph [ISAS Institute for Analytical Sciences, Department Berlin (Germany); Martino, Antonello de [Ecole Polytechnique, Centre National de la Recherche Scientique (CNRS-LPICM) (France); Fleischer, Karsten [ISAS Institute for Analytical Sciences, Department Berlin (Germany); Dohcevic-Mitrovic, Zorana [Institute of Physics, Center for Solid State Physics and New Materials (Serbia); Esser, Norbert [ISAS Institute for Analytical Sciences, Department Berlin (Germany); Galliet, Melanie, E-mail: melanie.gaillet@horiba.co [HORIBA Scientific, Thin Film Division (France); Gajic, Rados [Institute of Physics, Center for Solid State Physics and New Materials (Serbia); Hemzal, Dusan; Hingerl, Kurt [Johannes Kepler University Linz, Christian Doppler Laboratory for Surface Optics, Center for Surface- and Nanoanalytics (Austria); Humlicek, Josef; Ossikovski, Razvigor [Ecole Polytechnique, Centre National de la Recherche Scientique (CNRS-LPICM) (France); Popovic, Zoran V. [Institute of Physics, Center for Solid State Physics and New Materials (Serbia); Saxl, Ottilia [Institute of Nanotechnology (United Kingdom)

    2009-10-15

    This paper discusses the fundamentals, applications, potential, limitations, and future perspectives of polarized light reflection techniques for the characterization of materials and related systems and devices at the nanoscale. These techniques include spectroscopic ellipsometry, polarimetry, and reflectance anisotropy. We give an overview of the various ellipsometry strategies for the measurement and analysis of nanometric films, metal nanoparticles and nanowires, semiconductor nanocrystals, and submicron periodic structures. We show that ellipsometry is capable of more than the determination of thickness and optical properties, and it can be exploited to gain information about process control, geometry factors, anisotropy, defects, and quantum confinement effects of nanostructures.

  14. Spectroscopic ellipsometry and polarimetry for materials and systems analysis at the nanometer scale: state-of-the-art, potential, and perspectives

    International Nuclear Information System (INIS)

    Losurdo, Maria; Bergmair, Michael; Bruno, Giovanni; Cattelan, Denis; Cobet, Christoph; Martino, Antonello de; Fleischer, Karsten; Dohcevic-Mitrovic, Zorana; Esser, Norbert; Galliet, Melanie; Gajic, Rados; Hemzal, Dusan; Hingerl, Kurt; Humlicek, Josef; Ossikovski, Razvigor; Popovic, Zoran V.; Saxl, Ottilia

    2009-01-01

    This paper discusses the fundamentals, applications, potential, limitations, and future perspectives of polarized light reflection techniques for the characterization of materials and related systems and devices at the nanoscale. These techniques include spectroscopic ellipsometry, polarimetry, and reflectance anisotropy. We give an overview of the various ellipsometry strategies for the measurement and analysis of nanometric films, metal nanoparticles and nanowires, semiconductor nanocrystals, and submicron periodic structures. We show that ellipsometry is capable of more than the determination of thickness and optical properties, and it can be exploited to gain information about process control, geometry factors, anisotropy, defects, and quantum confinement effects of nanostructures.

  15. Optical properties of gold island films-a spectroscopic ellipsometry study

    Energy Technology Data Exchange (ETDEWEB)

    Loncaric, Martin, E-mail: mloncaric@irb.hr; Sancho-Parramon, Jordi; Zorc, Hrvoje

    2011-02-28

    Metal island films of noble metals are obtained by deposition on glass substrates during the first stage of evaporation process when supported metal nanoparticles are formed. These films show unique optical properties, owing to the localized surface plasmon resonance of free electrons in metal nanoparticles. In the present work we study the optical properties of gold metal island films deposited on glass substrates with different mass thicknesses at different substrate temperatures. The optical characterization is performed by spectroscopic ellipsometry at different angles of incidence and transmittance measurements at normal incidence in the same point of the sample. Fitting of the ellipsometric data allows determining the effective optical constants and thickness of the island film. A multiple oscillator approach was used to successfully represent the dispersion of the effective optical constants of the films.

  16. Stability of UV exposed RR-P3BT films by spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Diware, Mangesh S.; Byun, J. S.; Hwang, S. Y.; Kim, T. J.; Kim, Y. D.

    2013-01-01

    Stability of regioregular poly(3-butylthiophene) (RR-P3BT) films under irradiation of ultra-violet (UV) light has been studied by spectroscopic ellipsometry at room temperature. Consistent decrease in dielectric function with UV exposure time showed the degree of degradation of polymer. This work suggests that, protective methods are mandatory to use this kind of material in optical devices.

  17. In Situ Spectroscopic Ellipsometry in the Field of Industrial Membranes

    KAUST Repository

    Ogieglo, Wojciech

    2018-01-01

    Industrial membranes are playing an ever increasing role in the ongoing and necessary transition of our society towards more sustainable growth and development. Already today membranes offer more energy efficient alternatives to the traditional often very energy intensive industrial separation processes such as (cryogenic) distillation or crystallization. For many years reverse osmosis membranes have offered a viable method for the production of potable water via desalination processes and their significance continuously increases. Recently, membrane technology has been demonstrated to play a significant role in potential methods to generate or store energy on an industrial scale. For molecular separations often the key for an efficient membrane operation often lies in the application of an (ultra-) thin organic polymer, inorganic or hybrid selective layer whose interaction with the separated mixture defines the membrane performance. Ellipsometry has started gaining increasing attention in this area due to its large potential to conduct in-situ, non-destructive and very precise analysis of the film-fluid interactions. In this chapter, we aim to review the important recent developments in the application of ellipsometry in industrial membrane-related studies. We briefly introduce the basics of membrane science and discuss the used experimental setups and optical models. Further we focus on fundamental studies of sorption, transport and penetrant-induced phenomena in thin films exposed to organic solvents or high pressure gases. The application of in-situ ellipsometry is discussed for studies of new, promising membrane materials and the use of the technique for emerging direct studies of operating membranes is highlighted.

  18. In Situ Spectroscopic Ellipsometry in the Field of Industrial Membranes

    KAUST Repository

    Ogieglo, Wojciech

    2018-05-06

    Industrial membranes are playing an ever increasing role in the ongoing and necessary transition of our society towards more sustainable growth and development. Already today membranes offer more energy efficient alternatives to the traditional often very energy intensive industrial separation processes such as (cryogenic) distillation or crystallization. For many years reverse osmosis membranes have offered a viable method for the production of potable water via desalination processes and their significance continuously increases. Recently, membrane technology has been demonstrated to play a significant role in potential methods to generate or store energy on an industrial scale. For molecular separations often the key for an efficient membrane operation often lies in the application of an (ultra-) thin organic polymer, inorganic or hybrid selective layer whose interaction with the separated mixture defines the membrane performance. Ellipsometry has started gaining increasing attention in this area due to its large potential to conduct in-situ, non-destructive and very precise analysis of the film-fluid interactions. In this chapter, we aim to review the important recent developments in the application of ellipsometry in industrial membrane-related studies. We briefly introduce the basics of membrane science and discuss the used experimental setups and optical models. Further we focus on fundamental studies of sorption, transport and penetrant-induced phenomena in thin films exposed to organic solvents or high pressure gases. The application of in-situ ellipsometry is discussed for studies of new, promising membrane materials and the use of the technique for emerging direct studies of operating membranes is highlighted.

  19. Optical constants of graphene measured by spectroscopic ellipsometry

    NARCIS (Netherlands)

    Weber, J.W.; Calado, V.E.; Van de Sanden, M.C.M.

    2010-01-01

    A mechanically exfoliated graphene flake ( ? 150×380??m2) on a silicon wafer with 98 nm silicon dioxide on top was scanned with a spectroscopic ellipsometer with a focused spot ( ? 100×55??m2) at an angle of 55°. The spectroscopic ellipsometric data were analyzed with an optical model in which the

  20. Optical constants of graphene measured by spectroscopic ellipsometry

    NARCIS (Netherlands)

    Weber, J.W.; Calado, V.E.; Sanden, van de M.C.M.

    2010-01-01

    A mechanically exfoliated graphene flake ( ~ 150×380 µm2) on a silicon wafer with 98 nm silicon dioxide on top was scanned with a spectroscopic ellipsometer with a focused spot ( ~ 100×55 µm2) at an angle of 55°. The spectroscopic ellipsometric data were analyzed with an optical model in which the

  1. Real time monitoring of filament-assisted chemically vapor deposited diamond by spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Yue Cong; An, I.; Vedam, K.; Collins, R.W.; Nguyen, H.V.; Messier, R.

    1991-01-01

    Spectroscopic ellipsometry over the range 1.5-4.5 eV was applied as a real time probe of the processes occurring in the initial nucleation of thin film diamond by heated-filament assisted chemical vapor deposition. Using both untreated and diamond-polished c-Si substrates, as well as both carburized and uncarburized tungsten filaments, it was possible to separate and characterize competing phenomena, including the increase in surface temperature induced by filament ignition, the formation of carbide layers, contamination of the substrate by tungsten from the filament, annealing of diamond polishing damage, and, finally, diamond nucleation. An accurate measurement of the true temperature of the substrate surface averaged over the top 500 A can be obtained from the energy position of critical points in the c-Si band structure. For diamond deposition, we operated with an initial excess flow of CH 4 to stimulate nucleation. We applied real time feedback and manual control to reduce the CH 4 flow in the first monolayers of deposition. The thickness of diamond and an estimate of its nucleation density can be obtained from real time spectra, and the latter was in good agreement with that obtained from scanning electron microscopy. (orig.)

  2. Cu underpotential deposition on Au controlled by in situ spectroscopic ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Prato, Mirko; Cavalleri, Ornella; Mattera, Lorenzo; Canepa, Maurizio [Department of Physics, University of Genova, Genova (Italy); CNISM, Genova (Italy); Gussoni, Antonio [IMEM/CNR, Genova (Italy); Department of Physics, University of Genova, Genova (Italy); Panizza, Marco [Department of Chemical and Process Engineering, University of Genova (Italy)

    2008-05-15

    We have studied Cu electrodeposition on well defined Au films using real time spectroscopic ellipsometry (SE). SE allows to discriminate the under-potential (UP) and over-potential (OP) regimes. In the UP regime, tiny yet reproducible variations of {psi} and {delta} parameters indicate the formation of two phases with slightly different optical behavior. The phase at the largest coverage is assigned to a Cu monolayer. The SE response in the OP regime shows a marked dependence on the potential scan rate. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  3. Investigating organic multilayers by spectroscopic ellipsometry: specific and non-specific interactions of polyhistidine with NTA self-assembled monolayers

    Directory of Open Access Journals (Sweden)

    Ilaria Solano

    2016-04-01

    Full Text Available Background: A versatile strategy for protein–surface coupling in biochips exploits the affinity for polyhistidine of the nitrilotriacetic acid (NTA group loaded with Ni(II. Methods based on optical reflectivity measurements such as spectroscopic ellipsometry (SE allow for label-free, non-invasive monitoring of molecule adsorption/desorption at surfaces.Results: This paper describes a SE study about the interaction of hexahistidine (His6 on gold substrates functionalized with a thiolate self-assembled monolayer bearing the NTA end group. By systematically applying the difference spectra method, which emphasizes the small changes of the ellipsometry spectral response upon the nanoscale thickening/thinning of the molecular film, we characterized different steps of the process such as the NTA-functionalization of Au, the adsorption of the His6 layer and its eventual displacement after reaction with competitive ligands. The films were investigated in liquid, and ex situ in ambient air. The SE investigation has been complemented by AFM measurements based on nanolithography methods (nanografting mode.Conclusion: Our approach to the SE data, exploiting the full spectroscopic potential of the method and basic optical models, was able to provide a picture of the variation of the film thickness along the process. The combination of δΔi+1,i(λ, δΨi+1,i(λ (layer-addition mode and δΔ†i',i+1(λ, δΨ†i',i+1(λ (layer-removal mode difference spectra allowed us to clearly disentangle the adsorption of His6 on the Ni-free NTA layer, due to non specific interactions, from the formation of a neatly thicker His6 film induced by the Ni(II-loading of the NTA SAM.

  4. Optical constants of CH3NH3PbBr3 perovskite thin films measured by spectroscopic ellipsometry

    KAUST Repository

    Alias, Mohd Sharizal; Dursun, Ibrahim; Saidaminov, Makhsud I.; Diallo, Elhadj Marwane; Mishra, Pawan; Ng, Tien Khee; Bakr, Osman; Ooi, Boon S.

    2016-01-01

    function) of CH3NH3PbBr3 perovskite thin films using spectroscopic ellipsometry. Due to the existence of voids, the refractive index of the thin films is around 8% less than the single crystals counterpart. The energy bandgap is around 2.309 eV as obtained

  5. Growth Kinetics and Oxidation Mechanism of ALD TiN Thin Films Monitored by In Situ Spectroscopic Ellipsometry

    NARCIS (Netherlands)

    Van Hao, B.; Groenland, A.W.; Aarnink, Antonius A.I.; Wolters, Robertus A.M.; Schmitz, Jurriaan; Kovalgin, Alexeij Y.

    2011-01-01

    Spectroscopic ellipsometry (SE) was employed to investigate the growth of atomic layer deposited (ALD) TiN thin films from titanium chloride (TiCl4) and ammonia (NH3) and the followed oxidation in dry oxygen. Two regimes were found in the growth including a transient stage prior to a linear regime.

  6. Characterisation of different single and multilayer films using phase modulated spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Das, N.C.; Bhattacharyya, D.; Thakur, S.

    1998-06-01

    Different single layers and multilayer coatings deposited by e-beam evaporation and r.f. sputtering techniques have been characterised by the Phase Modulated Spectroscopic Ellipsometer, installed recently in the Spectroscopy Division, B.A.R.C. The Phase Modulated technique provides a faster and more accurate data acquisition process than the conventional ellipsometry. Measurements have been done on single layers of Cu, Si and ZrO 2 films and on multilayer thin films devices e.g., high reflectivity mirror, beam combiner, beam splitter, narrow band filter etc. consisting of several bilayers of TiO 2 /SiO 2 . The measured Ellipsometry spectra is then fitted with a theoretical spectra generated assuming an appropriate model regarding the sample. The layer thickness and composition have been used as fitting parameters. The optical constants of the substrates have been supplied and a trial dispersion relation have been used for the layers. In case of inhomogeneous layers, trial compositions have been given for the individual components for each layer. The roughness of the layers has been taken into account by assuming the film to be an inhomogeneous mixture of material and voids. The fittings have been done objectively by minimising the squared difference (χ 2 ) between the measured and calculated values of the ellipsometric parameters and thus accurate information have been derived regarding the thickness and optical constants (viz, the refractive index and extinction coefficient) of the different layers, the surface roughness and the inhomogeneities present in the layers. (author)

  7. Spectroscopic ellipsometry study of Cu2ZnSnSe4 bulk crystals

    International Nuclear Information System (INIS)

    León, M.; Lopez, N.; Merino, J. M.; Caballero, R.; Levcenko, S.; Gurieva, G.; Serna, R.; Bodnar, I. V.; Nateprov, A.; Guc, M.; Arushanov, E.; Schorr, S.; Perez-Rodriguez, A.

    2014-01-01

    Using spectroscopic ellipsometry we investigated and analyzed the pseudo-optical constants of Cu 2 ZnSnSe 4 bulk crystals, grown by the Bridgman method, over 0.8–4.5 eV photon energy range. The structures found in the spectra of the complex pseudodielectric functions were associated to E 0 , E 1A , and E 1B interband transitions and were analyzed in frame of the Adachi's model. The interband transition parameters such as strength, threshold energy, and broadening were evaluated by using the simulated annealing algorithm. In addition, the pseudo-complex refractive index, extinction coefficient, absorption coefficient, and normal-incidence reflectivity were derived over 0.8–4.5 eV photon energy range

  8. Optical properties of LiGaS2: an ab initio study and spectroscopic ellipsometry measurement

    International Nuclear Information System (INIS)

    Atuchin, V V; Lin, Z S; Isaenko, L I; Lobanov, S I; Kesler, V G; Kruchinin, V N

    2009-01-01

    Electronic and optical properties of lithium thiogallate crystal, LiGaS 2 , have been investigated by both experimental and theoretical methods. The plane-wave pseudopotential method based on DFT theory has been used for band structure calculations. The electronic parameters of Ga 3d orbitals have been corrected by the DFT+U methods to be consistent with those measured with x-ray photoemission spectroscopy. Evolution of optical constants of LiGaS 2 over a wide spectral range was determined by developed first-principles theory and dispersion curves were compared with optical parameters defined by spectroscopic ellipsometry in the photon energy range 1.2-5.0 eV. Good agreement has been achieved between theoretical and experimental results.

  9. In situ study of nitrobenzene grafting on Si(111)-H surfaces by infrared spectroscopic ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Rappich, J. [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Institut fuer Silizium-Photovoltaik, Kekulestr. 5, 12489 Berlin (Germany); Hinrichs, K. [ISAS - Institute for Analytical Sciences, Department Berlin, Albert-Einstein-Str. 9, 12489 Berlin (Germany)

    2009-12-15

    The binding of nitrobenzene (NB) molecules from a solution of 4-nitrobenzene-diazonium-tetrafluoroborate on a Si(111)-H surface was investigated during the electrochemical processing in diluted sulphuric acid by means of infrared spectroscopic ellipsometry (IR-SE). The grafting was monitored by an increase in specific IR absorption bands due to symmetric and anti-symmetric NO{sub 2} stretching vibrations in the 1400-1700 cm{sup -1} regime. The p- and s-polarized reflectances were recorded within 20 s for each spectrum only. NB molecules were detected when bonded to the Si(111) surface but not in the 2 mM solution itself. Oxide formation on the NB grafted Si surface was observed after drying in inert atmosphere and not during the grafting process in the aqueous solution. (author)

  10. Spectroscopic ellipsometry studies of index profile of indium tin oxide films prepared by spray pyrolysis

    Energy Technology Data Exchange (ETDEWEB)

    El Rhaleb, H.; Benamar, E.; Rami, M.; Roger, J.P.; Hakam, A.; Ennaoui, A

    2002-11-30

    Spectroscopic ellipsometry (SE) has proven to be a very powerful diagnostic for thin film characterisation. It was used to determine thin film parameters such as film thickness and optical functions of polycrystalline tin-doped indium oxide (ITO) films deposited by spray pyrol onto Pyrex substrates. Dielectric ITO films often present microstructures which give rise to a variation of the refractive index with the distance from substrate. In this work, it was found that the fit between ellipsometric data and optical models results could be significantly improved when it was assumed that the refractive index of ITO films varied across the upper 60 nm near the film surface. Also, the surface roughness was modelled and compared with that given by the atomic force microscope (AFM)

  11. Spectroscopic ellipsometry studies of index profile of indium tin oxide films prepared by spray pyrolysis

    International Nuclear Information System (INIS)

    El Rhaleb, H.; Benamar, E.; Rami, M.; Roger, J.P.; Hakam, A.; Ennaoui, A.

    2002-01-01

    Spectroscopic ellipsometry (SE) has proven to be a very powerful diagnostic for thin film characterisation. It was used to determine thin film parameters such as film thickness and optical functions of polycrystalline tin-doped indium oxide (ITO) films deposited by spray pyrolysis onto Pyrex substrates. Dielectric ITO films often present microstructures which give rise to a variation of the refractive index with the distance from substrate. In this work, it was found that the fit between ellipsometric data and optical models results could be significantly improved when it was assumed that the refractive index of ITO films varied across the upper 60 nm near the film surface. Also, the surface roughness was modelled and compared with that given by the atomic force microscope (AFM)

  12. Spectroscopic ellipsometry studies of index profile of indium tin oxide films prepared by spray pyrolysis

    Science.gov (United States)

    El Rhaleb, H.; Benamar, E.; Rami, M.; Roger, J. P.; Hakam, A.; Ennaoui, A.

    2002-11-01

    Spectroscopic ellipsometry (SE) has proven to be a very powerful diagnostic for thin film characterisation. It was used to determine thin film parameters such as film thickness and optical functions of polycrystalline tin-doped indium oxide (ITO) films deposited by spray pyrolysis onto Pyrex substrates. Dielectric ITO films often present microstructures which give rise to a variation of the refractive index with the distance from substrate. In this work, it was found that the fit between ellipsometric data and optical models results could be significantly improved when it was assumed that the refractive index of ITO films varied across the upper 60 nm near the film surface. Also, the surface roughness was modelled and compared with that given by the atomic force microscope (AFM).

  13. Spectroscopic ellipsometry study of Cu2ZnSnS4 bulk poly-crystals

    Science.gov (United States)

    Levcenko, S.; Hajdeu-Chicarosh, E.; Garcia-Llamas, E.; Caballero, R.; Serna, R.; Bodnar, I. V.; Victorov, I. A.; Guc, M.; Merino, J. M.; Pérez-Rodriguez, A.; Arushanov, E.; León, M.

    2018-04-01

    The linear optical properties of Cu2ZnSnS4 bulk poly-crystals have been investigated using spectroscopic ellipsometry in the range of 1.2-4.6 eV at room temperature. The characteristic features identified in the optical spectra are explained by using the Adachi analytical model for the interband transitions at the corresponding critical points in the Brillouin zone. The experimental data have been modeled over the entire spectral range taking into account the lowest E0 transition near the fundamental absorption edge and E1A and E1B higher energy interband transitions. In addition, the spectral dependences of the refractive index, extinction coefficient, absorption coefficient, and normal-incidence reflectivity values have been accurately determined and are provided since they are essential data for the design of Cu2ZnSnS4 based optoelectronic devices.

  14. Spectroscopic ellipsometry study of Cu{sub 2}ZnSnSe{sub 4} bulk crystals

    Energy Technology Data Exchange (ETDEWEB)

    León, M., E-mail: maximo.leon@uam.es; Lopez, N.; Merino, J. M.; Caballero, R. [Department of Applied Physics M12, Universidad Autónoma de Madrid, Madrid (Spain); Levcenko, S.; Gurieva, G. [Helmholtz-Zentrum Berlin fuer Materialien und Energie, Berlin (Germany); Serna, R. [Laser Processing Group, Instituto de Optica, CSIC, Serrano 121, 28006 Madrid (Spain); Bodnar, I. V. [Department of Chemistry, Belarusian State University of Informatics and Radioelectronics, Minsk (Belarus); Nateprov, A.; Guc, M.; Arushanov, E. [Institute of Applied Physics, Academy of Sciences of Moldova, Chisinau MD 2028 (Moldova, Republic of); Schorr, S. [Helmholtz-Zentrum Berlin fuer Materialien und Energie, Berlin (Germany); Institute of Geological Sciences, Free University Berlin, Malteserstr. 74-100, Berlin (Germany); Perez-Rodriguez, A. [IREC, Catalonia Institute for Energy Research, C. Jardins de les Dones de Negre 1, 08930 Sant Adrià del Besòs (Barcelona) (Spain); IN2UB, Departament d' Electrònica, Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona (Spain)

    2014-08-11

    Using spectroscopic ellipsometry we investigated and analyzed the pseudo-optical constants of Cu{sub 2}ZnSnSe{sub 4} bulk crystals, grown by the Bridgman method, over 0.8–4.5 eV photon energy range. The structures found in the spectra of the complex pseudodielectric functions were associated to E{sub 0}, E{sub 1A}, and E{sub 1B} interband transitions and were analyzed in frame of the Adachi's model. The interband transition parameters such as strength, threshold energy, and broadening were evaluated by using the simulated annealing algorithm. In addition, the pseudo-complex refractive index, extinction coefficient, absorption coefficient, and normal-incidence reflectivity were derived over 0.8–4.5 eV photon energy range.

  15. Modeling the transport properties of epitaxially grown thermoelectric oxide thin films using spectroscopic ellipsometry

    KAUST Repository

    Sarath Kumar, S. R.

    2012-02-01

    The influence of oxygen vacancies on the transport properties of epitaxial thermoelectric (Sr,La)TiO3 thin films is determined using electrical and spectroscopic ellipsometry (SE) measurements. Oxygen vacancy concentration was varied by ex-situ annealing in Ar and Ar/H2. All films exhibited degenerate semiconducting behavior, and electrical conductivity decreased (258–133 S cm−1) with increasing oxygen content. Similar decrease in the Seebeck coefficient is observed and attributed to a decrease in effective mass (7.8–3.2 me ), as determined by SE. Excellent agreement between transport properties deduced from SE and direct electrical measurements suggests that SE is an effective tool for studying oxide thin film thermoelectrics.

  16. Modeling the transport properties of epitaxially grown thermoelectric oxide thin films using spectroscopic ellipsometry

    KAUST Repository

    Sarath Kumar, S. R.; Abutaha, Anas I.; Hedhili, Mohamed N.; Alshareef, Husam N.

    2012-01-01

    The influence of oxygen vacancies on the transport properties of epitaxial thermoelectric (Sr,La)TiO3 thin films is determined using electrical and spectroscopic ellipsometry (SE) measurements. Oxygen vacancy concentration was varied by ex-situ annealing in Ar and Ar/H2. All films exhibited degenerate semiconducting behavior, and electrical conductivity decreased (258–133 S cm−1) with increasing oxygen content. Similar decrease in the Seebeck coefficient is observed and attributed to a decrease in effective mass (7.8–3.2 me ), as determined by SE. Excellent agreement between transport properties deduced from SE and direct electrical measurements suggests that SE is an effective tool for studying oxide thin film thermoelectrics.

  17. Real time spectroscopic ellipsometry for analysis and control of thin film polycrystalline semiconductor deposition in photovoltaics

    Energy Technology Data Exchange (ETDEWEB)

    Koirala, Prakash; Attygalle, Dinesh; Aryal, Puruswottam; Pradhan, Puja; Chen, Jie [Center for Photovoltaics Innovation and Commercialization and Department of Physics and Astronomy, University of Toledo, Toledo, OH 43606 (United States); Marsillac, Sylvain [Department of Electrical and Computer Engineering, Old Dominion University, Norfolk, VA 23529 (United States); Ferlauto, Andre S.; Podraza, Nikolas J.; Collins, Robert W. [Center for Photovoltaics Innovation and Commercialization and Department of Physics and Astronomy, University of Toledo, Toledo, OH 43606 (United States)

    2014-11-28

    Real time spectroscopic ellipsometry (RTSE) from the near-infrared to ultraviolet has been applied for analysis of the deposition of polycrystalline thin films that form the basis of two key photovoltaic heterojunction configurations, superstrate SnO{sub 2}/CdS/CdTe and substrate Mo/Cu(In{sub 1−x}Ga{sub x})Se{sub 2}/CdS. The focus of this work is to develop capabilities for monitoring and controlling the key steps in the fabrication of these device structures. Analysis of RTSE data collected during sputter deposition of CdS on a rough SnO{sub 2} transparent top contact provides the time evolution of the CdS effective thickness, or film volume per unit substrate area. This thickness includes interface, bulk, and surface roughness layer components and affects the CdS/CdTe heterojunction performance and the quantum efficiency of the solar cell in the blue region of the solar spectrum. Similarly, analysis of RTSE data collected during co-evaporation of Cu(In{sub 1−x}Ga{sub x})Se{sub 2} (CIGS; x ∼ 0.3) on a rough Mo back contact provides the evolution of a second phase of Cu{sub 2−x}Se within the CIGS layer. During the last stage of CIGS deposition, the In, Ga, and Se co-evaporants convert this Cu{sub 2−x}Se phase to CIGS, and RTSE identifies the endpoint, specifically the time at which complete conversion occurs and single-phase, large-grain CIGS is obtained in this key stage. - Highlights: • Real time spectroscopic ellipsometry (RTSE) study of CdS and CuIn{sub 1−x}Ga{sub x}Se{sub 2} (CIGS) films. • RTSE during CdS deposition provides the evolution of the CdS effective thickness. • RTSE for CIGS film enables to measure and control the composition and thickness. • The work leads to the development of optical models for processing steps.

  18. Spectroscopic ellipsometry on metallic gratings and the energy density in absorbing media

    International Nuclear Information System (INIS)

    Bergmair, M.

    2011-01-01

    Many researchers have stated that the 20th century was the century of electrons but the present one will be the century of the photon. Optics has a long history but in the context of nanooptics and nanophotonics this statement is already proven in the first decade. Improved fabrication facilities and technologies have allowed researches and industry to model light by micro and nano structures like photonic crystals, gratings, wave couplers and in past years also negative index materials. As the feature sizes of the artificial structures, which are all summarized as metamaterials, determine the operation frequencies a miniaturization is necessary for the run towards smaller wavelengths, e.g. negative index materials working in the visible range. This thesis deals with spectroscopic ellipsometry (SE) applied for the investigation of metallic gratings. SE is fast, non-invasive and non-destructive and the spectra of stratified layers are easily compared with theoretical simulations. For diffracting systems, rigorous coupled wave analysis (RCWA) which is rigorous in the sense that for a large enough number of Fourier coefficients all diffraction orders are derived exactly, is used as numerical solver for the Maxwell equations. Metallic gratings are simple structures with only a few geometrical parameters and the comparison between theoretical and experimental spectra provide a useful basis for more complicated metamaterials like e.g. negative index materials. Further, the metallic grating supports the excitation of surface plasmons. Due to the periodic structure an additional momentum transfer is provided which is necessary to excite surface plamsons with incident light. These excitation frequencies are clearly visible in the ellipsometric spectra due to a phase shift between s- and p- polarization. Therefore in the first part silicon, gold and silver gratings are analyzed with respect to their geometrical and material parameters and measured and simulated spectra are

  19. Influence of the graphene substrate on morphology of the gold thin film. Spectroscopic ellipsometry study

    International Nuclear Information System (INIS)

    Kostruba, A.M.

    2013-01-01

    In metal optics gold assumes a special status because of its practical importance in optoelectronic and nanooptical devices, and its role huge increases when occurs combination of gold with two-dimension materials. We performed spectroscopic ellipsometry measurements on evaporated gold, and gold–graphene nanostructures to determine the optical dielectric function across a broad spectral range from 250 to 1000 nm. It was found that the deposition of gold film on the quartz substrate covered by graphene flake leads to significant changes in structural and dielectric properties of thin gold layer. Such changes can be explained by increasing of the gold cluster size. The model fit of the ellipsometric data demonstrates that the bilayer “graphene-gold” nanostructure can be described as a uniform optically homogeneous layer with modified optical properties. We can suggest that graphene flake creates a matrix for epitaxial alignment of the crystalline structure of the gold film during its growing. Effective doping of the graphene by free electrons of the gold clusters tends to decrease the optical contrast at the graphene-gold interface.

  20. Study of oxide/metal/oxide thin films for transparent electronics and solar cells applications by spectroscopic ellipsometry

    Directory of Open Access Journals (Sweden)

    Mihaela Girtan

    2017-05-01

    Full Text Available A comprehensive study of a class of Oxide/Metal/Oxide (Oxide = ITO, AZO, TiO2 and Bi2O3, Metal = Au thin films was done by correlating the spectrophotometric studies with the ellispometric models. Films were deposited by successive sputtering from metallic targets In:Sn, Zn:Al, Ti and Bi in reactive atmosphere (for the oxide films and respective inert atmosphere (for the metallic Au interlayer films on glass substrates. The measurements of optical constants n—the refractive index and k—the extinction coefficient, at different incident photon energies for single oxide films and also for the three layers films oxide/metal/oxide samples were made using the spectroscopic ellipsometry (SE technique. The ellipsometry modelling process was coupled with the recorded transmission spectra data of a double beam spectrophotometer and the best fitting parameters were obtained not only by fitting the n and k experimental data with the dispersion fitting curves as usual is practiced in the most reported data in literature, but also by comparing the calculated the transmission coefficient from ellipsometry with the experimental values obtained from direct spectrophotometry measurements. In this way the best dispersion model was deduced for each sample. Very good correlations were obtained for the other different thin films characteristics such as the films thickness, optical band gap and electrical resistivity obtained by other measurements and calculation techniques. The ellipsometric modelling, can hence give the possibility in the future to predict, by ellipsometric simulations, the proper device architecture in function of the preferred optical and electrical properties.

  1. Dealing with inaccuracies in the analysis on solvent-induced swelling of transparent thin films using in situ spectroscopic ellipsometry in the visible wavelength range

    NARCIS (Netherlands)

    Tempelman, Kristianne; Kappert, Emiel; Raaijmaker, Michiel J.T.; Wormeester, Herbert; Benes, Nieck Edwin

    2016-01-01

    The accuracy of spectroscopic ellipsometry studies of transparent polymer films in the visible wavelength range is greatly reduced in the presence of a liquid ambient. The relatively high refractive index of a liquid ambient strongly amplifies the effects of experimental non-idealities, such as

  2. Temperature-induced transition of the diffusion mechanism of n-hexane in ultra-thin polystyrene films, resolved by in-situ Spectroscopic Ellipsometry

    NARCIS (Netherlands)

    Ogieglo, Wojciech; Wormeester, Herbert; Wessling, Matthias; Benes, Nieck Edwin

    2013-01-01

    In-situ Spectroscopic Ellipsometry is used to study diffusion of liquid n-hexane in silicon wafer supported 150 nm thick polystyrene films, in the temperature range 16e28 C. In the higher part of this temperature range Case II diffusion is shown to be dominant. In this case the temporal evolution of

  3. FTIR and Vis-FUV real time spectroscopic ellipsometry studies of polymer surface modifications during ion beam bombardment

    Science.gov (United States)

    Laskarakis, A.; Gravalidis, C.; Logothetidis, S.

    2004-02-01

    The continuously increasing application of polymeric materials in many scientific and technological fields has motivated an extensive use of polymer surface treatments, which modify the physical and chemical properties of polymer surfaces leading to surface activation and promotion of the surface adhesion. Fourier transform IR spectroscopic ellipsometry (FTIRSE) and phase modulated ellipsometry (PME) in the IR and Vis-FUV spectral regions respectively have been employed for in situ and real time monitoring of the structural changes on the polymer surface obtained by Ar + ion bombardment. The polymers were industrially supplied polyethylene terephthalate (PET) and polyethylene naphthalate (PEN) membranes. The Ar + ion bombardment has found to change the chemical bonding of the films and especially the amount of the CO, C-C and CC groups. The detailed study of the FTIRSE spectra reveals important information about the effect of the Ar + ion bombardment on each of the above bonding groups. Also, the modification of the characteristic features, attributed to electronic transitions in specific bonds of PET and PEN macromolecules, has been studied using PME.

  4. FTIR and Vis-FUV real time spectroscopic ellipsometry studies of polymer surface modifications during ion beam bombardment

    International Nuclear Information System (INIS)

    Laskarakis, A.; Gravalidis, C.; Logothetidis, S.

    2004-01-01

    The continuously increasing application of polymeric materials in many scientific and technological fields has motivated an extensive use of polymer surface treatments, which modify the physical and chemical properties of polymer surfaces leading to surface activation and promotion of the surface adhesion. Fourier transform IR spectroscopic ellipsometry (FTIRSE) and phase modulated ellipsometry (PME) in the IR and Vis-FUV spectral regions respectively have been employed for in situ and real time monitoring of the structural changes on the polymer surface obtained by Ar + ion bombardment. The polymers were industrially supplied polyethylene terephthalate (PET) and polyethylene naphthalate (PEN) membranes. The Ar + ion bombardment has found to change the chemical bonding of the films and especially the amount of the C-O, C-C and C-C groups. The detailed study of the FTIRSE spectra reveals important information about the effect of the Ar + ion bombardment on each of the above bonding groups. Also, the modification of the characteristic features, attributed to electronic transitions in specific bonds of PET and PEN macromolecules, has been studied using PME

  5. Parametrization of optical properties of indium-tin-oxide thin films by spectroscopic ellipsometry: Substrate interfacial reactivity

    Science.gov (United States)

    Losurdo, M.; Giangregorio, M.; Capezzuto, P.; Bruno, G.; de Rosa, R.; Roca, F.; Summonte, C.; Plá, J.; Rizzoli, R.

    2002-01-01

    Indium-tin-oxide (ITO) films deposited by sputtering and e-gun evaporation on both transparent (Corning glass) and opaque (c-Si, c-Si/SiO2) substrates and in c-Si/a-Si:H/ITO heterostructures have been analyzed by spectroscopic ellipsometry (SE) in the range 1.5-5.0 eV. Taking the SE advantage of being applicable to absorbent substrate, ellipsometry is used to determine the spectra of the refractive index and extinction coefficient of the ITO films. The effect of the substrate surface on the ITO optical properties is focused and discussed. To this aim, a parametrized equation combining the Drude model, which considers the free-carrier response at the infrared end, and a double Lorentzian oscillator, which takes into account the interband transition contribution at the UV end, is used to model the ITO optical properties in the useful UV-visible range, whatever the substrate and deposition technique. Ellipsometric analysis is corroborated by sheet resistance measurements.

  6. Monitoring the layer-by-layer self-assembly of graphene and graphene oxide by spectroscopic ellipsometry.

    Science.gov (United States)

    Zhou, Kai-Ge; Chang, Meng-Jie; Wang, Hang-Xing; Xie, Yu-Long; Zhang, Hao-Li

    2012-01-01

    Thin films of graphene oxide, graphene and copper (II) phthalocyanine dye have been successfully fabricated by electrostatic layer-by-layer (LbL) assembly approach. We present the first variable angle spectroscopic ellipsometry (VASE) investigation on these graphene-dye hybrid thin films. The thickness evaluation suggested that our LbL assembly process produces highly uniform and reproducible thin films. We demonstrate that the refractive indices of the graphene-dye thin films undergo dramatic variation in the range close to the absorption of the dyes. This investigation provides new insight to the optical properties of graphene containing thin films and shall help to establish an appropriate optical model for graphene-based hybrid materials.

  7. Optical properties of LiGaS{sub 2}: an ab initio study and spectroscopic ellipsometry measurement

    Energy Technology Data Exchange (ETDEWEB)

    Atuchin, V V [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Lin, Z S [Beijing Center for Crystal R and D, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, PO Box 2711, Beijing 100190 (China); Isaenko, L I; Lobanov, S I [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Kesler, V G [Laboratory of Physical Bases of Integrated Microelectronics, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Kruchinin, V N, E-mail: zslin@mail.ipc.ac.c [Laboratory for Ellipsometry of Semiconductor Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation)

    2009-11-11

    Electronic and optical properties of lithium thiogallate crystal, LiGaS{sub 2}, have been investigated by both experimental and theoretical methods. The plane-wave pseudopotential method based on DFT theory has been used for band structure calculations. The electronic parameters of Ga 3d orbitals have been corrected by the DFT+U methods to be consistent with those measured with x-ray photoemission spectroscopy. Evolution of optical constants of LiGaS{sub 2} over a wide spectral range was determined by developed first-principles theory and dispersion curves were compared with optical parameters defined by spectroscopic ellipsometry in the photon energy range 1.2-5.0 eV. Good agreement has been achieved between theoretical and experimental results.

  8. Optical constants of CH3NH3PbBr3 perovskite thin films measured by spectroscopic ellipsometry

    KAUST Repository

    Alias, Mohd Sharizal

    2016-07-14

    The lack of optical constants information for hybrid perovskite of CH3NH3PbBr3 in thin films form can delay the progress of efficient LED or laser demonstration. Here, we report on the optical constants (complex refractive index and dielectric function) of CH3NH3PbBr3 perovskite thin films using spectroscopic ellipsometry. Due to the existence of voids, the refractive index of the thin films is around 8% less than the single crystals counterpart. The energy bandgap is around 2.309 eV as obtained from photoluminescence and spectrophotometry spectra, and calculated from the SE analysis. The precise measurement of optical constants will be useful in designing optical devices using CH3NH3PbBr3 thin films.

  9. Real time spectroscopic ellipsometry investigation of homoepitaxial GaN grown by plasma assisted molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Tong-Ho; Choi, Soojeong; Wu, Pae; Brown, April [Department of Electrical and Computer Engineering, Duke University, 128 Hudson Hall, Durham, NC (United States); Losurdo, Maria; Giangregorio, Maria M.; Bruno, Giovanni [Institute of Inorganic Methodologies and of Plasmas, IMIP-CNR and INSTM UdR Bari, via Orabona, 4, 70126 Bari (Italy); Moto, Akihiro [Innovation Core SEI, Inc., 3235 Kifer Road, Santa Clara, CA 95051 (United States)

    2006-06-15

    The growth of GaN by plasma assisted molecular beam epitaxy on GaN template substrates (GaN on sapphire) is investigated with in-situ multi-channel spectroscopic ellipsometry. Growth is performed under various Ga/N flux ratios at growth temperatures in the range 710-780 C. The thermal roughening of the GaN template caused by decomposition of the surface is investigated through the temporal variation of the GaN pseudodielectric function over the temperature range of 650 C to 850 C. The structural, morphological, and optical properties are also discussed. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. Investigation of nanocrystalline Epi-Si/γ-Al2O3 heterostructure deposited on Si substrate by spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Khatun, Mosammat Halima; Shahjahan, Mohammad; Ito, Ryoki; Sawada, Kazuaki; Ishida, Makoto

    2006-01-01

    In this work, micro-structural and interfacial studies of the epi-Si/γ-Al 2 O 3 heterostructure were undertaken by spectroscopic ellipsometry, and compared with the results of atomic force microscopy and X-ray photoelectron spectroscopy. The experimental ellipsometric data were fitted with the theoretical calculations using effective medium approximation for each layer of the structure. It was observed that the epitaxial silicon layer consists of a fraction of amorphous Si and crystalline Si. The percentage of amorphous silicon increases with the decrease of deposition temperature and with the increase of the deposition rate. The γ-Al 2 O 3 layer produces a hydrostatic pressure on the Si substrate and the amount of hydrostatic pressure was measured to be 8 x 10 9 dyn/cm 2

  11. Study of receptor-chaperone interactions using the optical technique of spectroscopic ellipsometry.

    Science.gov (United States)

    Kriechbaumer, Verena; Tsargorodskaya, Anna; Mustafa, Mohd K; Vinogradova, Tatiana; Lacey, Joanne; Smith, David P; Abell, Benjamin M; Nabok, Alexei

    2011-07-20

    This work describes a detailed quantitative interaction study between the novel plastidial chaperone receptor OEP61 and isoforms of the chaperone types Hsp70 and Hsp90 using the optical method of total internal reflection ellipsometry (TIRE). The receptor OEP61 was electrostatically immobilized on a gold surface via an intermediate layer of polycations. The TIRE measurements allowed the evaluation of thickness changes in the adsorbed molecular layers as a result of chaperone binding to receptor proteins. Hsp70 chaperone isoforms but not Hsp90 were shown to be capable of binding OEP61. Dynamic TIRE measurements were carried out to evaluate the affinity constants of the above reactions and resulted in clear discrimination between specific and nonspecific binding of chaperones as well as differences in binding properties between the highly similar Hsp70 isoforms. Copyright © 2011 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  12. Localization effects in the disordered Ta interlayer of multilayer Ta–FeNi films: Evidence from dc transport and spectroscopic ellipsometry study

    Czech Academy of Sciences Publication Activity Database

    Kovaleva, Natalia; Chvostová, Dagmar; Pacherová, Oliva; Fekete, Ladislav; Kugel, K.I.; Pudonin, F.A.; Dejneka, Alexandr

    2017-01-01

    Roč. 111, č. 18 (2017), s. 1-5, č. článku 183104. ISSN 0003-6951 R&D Projects: GA ČR GA15-13778S Institutional support: RVO:68378271 Keywords : dc transport * wide-band * spectroscopic ellipsometry techniques * disordered metallic Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.411, year: 2016

  13. Surface roughness estimation of MBE grown CdTe/GaAs(211)B by ex-situ spectroscopic ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Karakaya, Merve, E-mail: mervegunnar@iyte.edu.tr [Department of Material Science and Engineering, Izmir Institute of Technology, Izmir 35430 (Turkey); Bilgilisoy, Elif; Arı, Ozan; Selamet, Yusuf [Department of Physics, Izmir Institute of Technology, Izmir 35430 (Turkey)

    2016-07-15

    Spectroscopic ellipsometry (SE) ranging from 1.24 eV to 5.05 eV is used to obtain the film thickness and optical properties of high index (211) CdTe films. A three-layer optical model (oxide/CdTe/GaAs) was chosen for the ex-situ ellipsometric data analysis. Surface roughness cannot be determined by the optical model if oxide is included. We show that roughness can be accurately estimated, without any optical model, by utilizing the correlation between SE data (namely the imaginary part of the dielectric function, <ε{sub 2} > or phase angle, ψ) and atomic force microscopy (AFM) roughness. <ε{sub 2} > and ψ values at 3.31 eV, which corresponds to E{sub 1} critical transition energy of CdTe band structure, are chosen for the correlation since E{sub 1} gives higher resolution than the other critical transition energies. On the other hand, due to the anisotropic characteristic of (211) oriented CdTe surfaces, SE data (<ε{sub 2} > and ψ) shows varieties for different azimuthal angle measurements. For this reason, in order to estimate the surface roughness by considering these correlations, it is shown that SE measurements need to be taken at the same surface azimuthal angle. Estimating surface roughness in this manner is an accurate way to eliminate cumbersome surface roughness measurement by AFM.

  14. Spectroscopic ellipsometry analysis of GaAs1-xNx layers grown by molecular beam epitaxy

    International Nuclear Information System (INIS)

    Ben Sedrine, N.; Rihani, J.; Stehle, J.L.; Harmand, J.C.; Chtourou, R.

    2008-01-01

    In this work, we present the effect of nitrogen incorporation on the dielectric function of GaAsN samples, grown by molecular beam epitaxy (MBE) followed by a rapid thermal annealing (for 90 s at 680 deg. C). The GaAs 1-x N x samples with N content up to 1.5% (x = 0.0%, 0.1%, 0.5%, 1.5%), are investigated using room temperature spectroscopic ellipsometry (SE). The optical transitions in the spectral region around 3 eV are analyzed by fitting analytical critical point line shapes to the second derivative of the dielectric function. It was found that the features associated with E 1 and E 1 + Δ 1 transitions are blue-shifted and become less sharp with increasing nitrogen incorporation, in contrast to the case of E 0 transition energy in GaAs 1-x N x . An increase of the split-off Δ 1 energy with nitrogen content was also obtained, in agreement to results found with MOVPE GaAs 1-x N x grown samples

  15. Optical gradients in a-Si:H thin films detected using real-time spectroscopic ellipsometry with virtual interface analysis

    Science.gov (United States)

    Junda, Maxwell M.; Karki Gautam, Laxmi; Collins, Robert W.; Podraza, Nikolas J.

    2018-04-01

    Virtual interface analysis (VIA) is applied to real time spectroscopic ellipsometry measurements taken during the growth of hydrogenated amorphous silicon (a-Si:H) thin films using various hydrogen dilutions of precursor gases and on different substrates during plasma enhanced chemical vapor deposition. A procedure is developed for optimizing VIA model configurations by adjusting sampling depth into the film and the analyzed spectral range such that model fits with the lowest possible error function are achieved. The optimal VIA configurations are found to be different depending on hydrogen dilution, substrate composition, and instantaneous film thickness. A depth profile in the optical properties of the films is then extracted that results from a variation in an optical absorption broadening parameter in a parametric a-Si:H model as a function of film thickness during deposition. Previously identified relationships are used linking this broadening parameter to the overall shape of the optical properties. This parameter is observed to converge after about 2000-3000 Å of accumulated thickness in all layers, implying that similar order in the a-Si:H network can be reached after sufficient thicknesses. In the early stages of growth, however, significant variations in broadening resulting from substrate- and processing-induced order are detected and tracked as a function of bulk layer thickness yielding an optical property depth profile in the final film. The best results are achieved with the simplest film-on-substrate structures while limitations are identified in cases where films have been deposited on more complex substrate structures.

  16. Detection and characterization of single nanoparticles by interferometric phase modulated ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Barroso, F.; Bosch, S.; Tort, N.; Arteaga, O. [Universitat de Barcelona, IN2UB, Dep. Fisica Aplicada i Optica, c/Marti i Franques 1, 08028 (Spain); Sancho-Parramon, J. [Rudjer Boskovic Institute, Bijenicka c. 54, Zagreb 10002 (Croatia); Jover, E.; Bertran, E. [Universitat de Barcelona, IN2UB, Dep. Fisica Aplicada i Optica, c/Marti i Franques 1, 08028 (Spain); Canillas, A., E-mail: acanillas@ub.ed [Universitat de Barcelona, IN2UB, Dep. Fisica Aplicada i Optica, c/Marti i Franques 1, 08028 (Spain)

    2011-02-28

    We introduce a new measurement system called Nanopolar interferometer devoted to monitor and characterize single nanoparticles which is based on the interferometric phase modulated ellipsometry technique. The system collects the backscattered light by the particles in the solid angle subtended by a microscope objective and then analyses its frequency components. The results for the detection of 2 {mu}m and 50 nm particles are explained in terms of a cross polarization effect of the polarization vectors when the beam converts from divergent to parallel in the microscope objective. This explanation is supported with the results of the optical modelling using the exact Mie theory for the light scattered by the particles.

  17. Detection and characterization of single nanoparticles by interferometric phase modulated ellipsometry

    International Nuclear Information System (INIS)

    Barroso, F.; Bosch, S.; Tort, N.; Arteaga, O.; Sancho-Parramon, J.; Jover, E.; Bertran, E.; Canillas, A.

    2011-01-01

    We introduce a new measurement system called Nanopolar interferometer devoted to monitor and characterize single nanoparticles which is based on the interferometric phase modulated ellipsometry technique. The system collects the backscattered light by the particles in the solid angle subtended by a microscope objective and then analyses its frequency components. The results for the detection of 2 μm and 50 nm particles are explained in terms of a cross polarization effect of the polarization vectors when the beam converts from divergent to parallel in the microscope objective. This explanation is supported with the results of the optical modelling using the exact Mie theory for the light scattered by the particles.

  18. Spectroscopic ellipsometry analysis of InGaN/GaN and AlGaN/GaN heterostructures using a parametric dielectric function model

    International Nuclear Information System (INIS)

    Wagner, J.; Ramakrishnan, A.; Obloh, H.; Kunzer, M.; Koehler, K.; Johs, B.

    2000-01-01

    Spectroscopic ellipsometry (SE) has been used for the characterization of AlGaN/GaN and InGaN/GaN heterostructures. The resulting pseudodielectric function spectra were analyzed using a multilayer approach, describing the dielectric functions of the individual layers by a parametric oscillator model. From this analysis, the dielectric function spectra of GaN, Al x Ga 1-x N (x le 0.16), and In 0.13 Ga 0.87 N were deduced. Further, the dependence of the Al x Ga 1-x N band gap energy on the Al mole fraction was derived and compared with photoluminescence data recorded on the same material. The SE band gap data are compatible with a bowing parameter close to 1 eV for the composition dependence of the Al x Ga 1-x N gap energy. Finally, the parametric dielectric functions have been used to model the pseudodielectric function spectrum of a complete GaN/AlGaN/InGaN LED structure

  19. Monitoring the composition of the Cd1-zZnzTe heteroepitaxial layers by spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Yakushev, M. V.; Shvets, V. A.; Azarov, I. A.; Rykhlytski, S. V.; Sidorov, Yu. G.; Spesivtsev, E. V.; Shamirzaev, T. S.

    2010-01-01

    A hardware-software complex based on a spectroscopic ellipsometer integrated into a molecular beam epitaxy installation and destined to monitor the composition of the Cd 1 -z Zn z Te alloy at small values of z is described. Methodical features of determination of the composition of growing layers by the spectra of ellipsometric parameters are considered. The procedure of determination of the composition by the absorption edge that allows measuring this parameter accurate to 1.2% is developed. Problems are considered the solutions of which will allow one to increase the resolution by the composition. In particular, maintaining a stable temperature during growth is required for this purpose.

  20. Phonon and free-charge carrier properties in group-III nitride heterostructures investigated by spectroscopic ellipsometry and optical Hall effect

    Science.gov (United States)

    Schoeche, Stefan

    The material class of group-III nitrides gained tremendous technological importance for optoelectronic and high-power/high-frequency amplification devices. Tunability of the direct band gap from 0.65 eV (InN) to 6.2 eV (AlN) by alloying, high breakthrough voltages and intrinsic mobilities, as well as the formation of highly mobile 2d electron gases (2DEG) at heterointerfaces make these compounds ideal for many applications. GaN and Ga-rich alloys are well studied and current research is mainly device-oriented. For example, choice and quality of the gate dielectric significantly influence device performance in high-electron mobility transistors (HEMT) which utilize highly mobile 2DEGs at heterointerfaces. Experimental access to the 2DEG channel properties without influence from parasitic currents or contact properties are desirable. In- and Al-rich ternary alloys are less explored than Ga-rich compounds. For InN and In-rich alloys, while many material parameters such as stiffness constants or effective mass values are largely unknown, reliable p-type doping is a major challenge, also because p-type conducting channels are buried within highly conductive n-type material formed at the surface and interfaces preventing electrical characterization. For AlN and high-Al content alloys, doping mechanisms are not understood and reliable fabrication of material with high free-charge carrier (FCC) concentrations was achieved just recently. Difficulties to form ohmic contacts impair electrical measurements and optical characterization is impeded by lack of high-energy excitation sources. In this work, spectroscopic ellipsometry over the wide spectral range from the THz to VUV in combination with optical Hall effect (generalized ellipsometry with applied magnetic field) from THz to MIR are applied in order to investigate the phonon modes and FCC properties in group-III nitride heterostructures. Adequate model descriptions and analysis strategies are introduced which allow

  1. Optical properties of Au–TiO{sub 2} and Au–SiO{sub 2} granular metal thin films studied by Spectroscopic Ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Bakkali, H., E-mail: hicham.bakkali@mail.uca.es [Departamento de Física de la Materia Condensada and Instituto de Microscopía Electrónica y Materiales (IMEYMAT), Universidad de Cadiz, 11510 Puerto Real, Cádiz (Spain); Centro de Ciencias Aplicadas y Desarrollo Tecnológico (CCADET), Universidad Nacional Autónoma de México (UNAM), México, D.F. 04510 (Mexico); Blanco, E.; Dominguez, M. [Departamento de Física de la Materia Condensada and Instituto de Microscopía Electrónica y Materiales (IMEYMAT), Universidad de Cadiz, 11510 Puerto Real, Cádiz (Spain); Mora, M.B. de la [CONACyT Research Fellow-CCADET, Universidad Nacional Autónoma de México (UNAM), México, D.F. 04510 (Mexico); Sánchez-Aké, C.; Villagrán-Muniz, M. [Centro de Ciencias Aplicadas y Desarrollo Tecnológico (CCADET), Universidad Nacional Autónoma de México (UNAM), México, D.F. 04510 (Mexico)

    2017-05-31

    Highlights: • Gold NPs embedded in TiO{sub 2} or SiO{sub 2} are fabricated by single RF magnetron sputtering. • Films thickness and optical constants are determined by Spectroscopic Ellipsometry. - Abstract: We report on the optical properties in the dielectric regime of gold nanostructured granular thin films fabricated through sputter deposition with a composite target at room temperature and over a wide photon energy range (0.62–4.13 eV) by means of Spectroscopic Ellipsometry. The thickness and the films effective optical constants are successfully determined using an approach based on multiple Gaussian oscillators. In the quasi-static regime, i.e., 2R ≪ λ, and in the dipole approximation, examining the real and imaginary parts, ε{sub 1}, ε{sub 2}, of the dielectric function, it is shown that the dc optical conductivity is almost negligible (σ = ωε{sub 0}ε{sub 2} ≪ 10{sup −5} Ω cm{sup −1}) and only the capacitive contribution holds for the electron-phonon relaxation in localized surface plasmon of the gold particles. Furthermore, we find that the resonant frequencies ω{sub p} becomes red-shifted when the particles are electromagnetically coupled to each other or when the surrounding medium dielectric constant, ε{sub m}, increases, thus exhibiting a wide spectral tuning range of 1.95–2.24 eV.

  2. Dielectric functions and carrier concentrations of Hg{sub 1−x}Cd{sub x}Se films determined by spectroscopic ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Lee, A. J.; Peiris, F. C., E-mail: peirisf@kenyon.edu [Department of Physics, Kenyon College, Gambier, Ohio 43022 (United States); Brill, G.; Doyle, K. [U.S. Army Research Laboratory, Adelphi, Maryland 20783-1197 (United States); Myers, T. H. [Department of Physics, Texas State University, San Marcos, Texas 78666 (United States)

    2015-08-17

    Spectroscopic ellipsometry, ranging from 35 meV to 6 eV, was used to determine the dielectric functions of a series of molecular beam epitaxy-grown Hg{sub 1−x}Cd{sub x}Se thin films deposited on both ZnTe/Si(112) and GaSb(112) substrates. The fundamental band gap as well as two higher-order electronic transitions blue-shift with increasing Cd composition in Hg{sub 1−x}Cd{sub x}Se, as expected. Representing the free carrier absorption with a Drude oscillator, we found that the effective masses of Hg{sub 1−x}Cd{sub x}Se (grown on ZnTe/Si) vary between 0.028 and 0.050 times the free electron mass, calculated using the values of carrier concentration and the mobility obtained through Hall measurements. Using these effective masses, we determined the carrier concentrations of Hg{sub 1−x}Cd{sub x}Se samples grown on GaSb, which is of significance as films grown on such doped-substrates posit ambiguous results when measured by conventional Hall experiments. These models can serve as a basis for monitoring Cd-composition during sample growth through in-situ spectroscopic ellipsometry.

  3. Spectroscopic and electrochemical characterization of nanostructured optically transparent carbon electrodes.

    Science.gov (United States)

    Benavidez, Tomás E; Garcia, Carlos D

    2013-07-01

    The present paper describes the results related to the optical and electrochemical characterization of thin carbon films fabricated by spin coating and pyrolysis of AZ P4330-RS photoresist. The goal of this paper is to provide comprehensive information allowing for the rational selection of the conditions to fabricate optically transparent carbon electrodes (OTCE) with specific electrooptical properties. According to our results, these electrodes could be appropriate choices as electrochemical transducers to monitor electrophoretic separations. At the core of this manuscript is the development and critical evaluation of a new optical model to calculate the thickness of the OTCE by variable angle spectroscopic ellipsometry. Such data were complemented with topography and roughness (obtained by atomic force microscopy), electrochemical properties (obtained by cyclic voltammetry), electrical properties (obtained by electrochemical impedance spectroscopy), and structural composition (obtained by Raman spectroscopy). Although the described OTCE were used as substrates to investigate the effect of electrode potential on the real-time adsorption of proteins by ellipsometry, these results could enable the development of other biosensors that can be then integrated into various CE platforms. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Spectroscopic ellipsometry on Si/SiO2/graphene tri-layer system exposed to downstream hydrogen plasma: Effects of hydrogenation and chemical sputtering

    International Nuclear Information System (INIS)

    Eren, Baran; Fu, Wangyang; Marot, Laurent; Calame, Michel; Steiner, Roland; Meyer, Ernst

    2015-01-01

    In this work, the optical response of graphene to hydrogen plasma treatment is investigated with spectroscopic ellipsometry measurements. Although the electronic transport properties and Raman spectrum of graphene change after plasma hydrogenation, ellipsometric parameters of the Si/SiO2/graphene tri-layer system do not change. This is attributed to plasma hydrogenated graphene still being electrically conductive, since the light absorption of conducting 2D materials does not depend on the electronic band structure. A change in the light transmission can only be observed when higher energy hydrogen ions (30 eV) are employed, which chemically sputter the graphene layer. An optical contrast is still apparent after sputtering due to the remaining traces of graphene and hydrocarbons on the surface. In brief, plasma treatment does not change the light transmission of graphene; and when it does, this is actually due to plasma damage rather than plasma hydrogenation

  5. Spectroscopic ellipsometry on Si/SiO{sub 2}/graphene tri-layer system exposed to downstream hydrogen plasma: Effects of hydrogenation and chemical sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Eren, Baran [Department of Physics, University of Basel, Klingelbergstrasse 82, CH-4056 Basel (Switzerland); Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Fu, Wangyang; Marot, Laurent, E-mail: laurent.marot@unibas.ch; Calame, Michel; Steiner, Roland; Meyer, Ernst [Department of Physics, University of Basel, Klingelbergstrasse 82, CH-4056 Basel (Switzerland)

    2015-01-05

    In this work, the optical response of graphene to hydrogen plasma treatment is investigated with spectroscopic ellipsometry measurements. Although the electronic transport properties and Raman spectrum of graphene change after plasma hydrogenation, ellipsometric parameters of the Si/SiO2/graphene tri-layer system do not change. This is attributed to plasma hydrogenated graphene still being electrically conductive, since the light absorption of conducting 2D materials does not depend on the electronic band structure. A change in the light transmission can only be observed when higher energy hydrogen ions (30 eV) are employed, which chemically sputter the graphene layer. An optical contrast is still apparent after sputtering due to the remaining traces of graphene and hydrocarbons on the surface. In brief, plasma treatment does not change the light transmission of graphene; and when it does, this is actually due to plasma damage rather than plasma hydrogenation.

  6. Characterization of silicon-oxide interfaces and organic monolayers by IR-UV ellipsometry and FTIR spectroscopy

    Science.gov (United States)

    Hess, P.; Patzner, P.; Osipov, A. V.; Hu, Z. G.; Lingenfelser, D.; Prunici, P.; Schmohl, A.

    2006-08-01

    VUV-laser-induced oxidation of Si(111)-(1×1):H, Si(100):H, and a-Si:H at 157 nm (F II laser) in pure O II and pure H IIO atmospheres was studied between 30°C and 250°C. The oxidation process was monitored in real time by spectroscopic ellipsometry (NIR-UV) and FTIR spectroscopy. The ellipsometric measurements could be simulated with a three-layer model, providing detailed information on the variation of the suboxide interface with the nature of the silicon substrate surface. Besides the silicon-dioxide and suboxide layer, a dense, disordered, roughly monolayer thick silicon layer was included, as found previously by molecular dynamics calculations. The deviations from the classical Deal-Grove mechanism and the self-limited growth of the ultrathin dioxide layers (TMS) groups and n-alkylthiol monolayers on gold-coated silicon. The C-H stretching vibrations of the methylene and methyl groups could be identified by FTIR spectroscopy and IR ellipsometry.

  7. Variable angle spectroscopic ellipsometric characterization of HfO2 thin film

    Science.gov (United States)

    Kumar, M.; Kumari, N.; Karar, V.; Sharma, A. L.

    2018-02-01

    Hafnium Oxide film was deposited on BK7 glass substrate using reactive oxygenated E-Beam deposition technique. The film was deposited using in-situ quartz crystal thickness monitoring to control the film thickness and rate of evaporation. The thin film was grown with a rate of deposition of 0.3 nm/s. The coated substrate was optically characterized using spectrophotometer to determine its transmission spectra. The optical constants as well as film thickness of the hafnia film were extracted by variable angle spectroscopic ellipsometry with Cauchy fitting at incidence angles of 65˚, 70˚ and 75˚.

  8. Interferometric snapshot spectro-ellipsometry.

    Science.gov (United States)

    Dembele, Vamara; Jin, Moonseob; Choi, Inho; Chegal, Won; Kim, Daesuk

    2018-01-22

    We propose a snapshot spectroscopic ellipsometry and its applications for real-time thin-film thickness measurement. The proposed system employs an interferometric polarization-modulation module that can measure the spectroscopic ellipsometric phase for thin-film deposited on a substrate with a measurement speed of around 20 msec. It requires neither moving parts nor time dependent modulation devices. The accuracy of the proposed interferometric snapshot spectro-ellipsometer is analyzed through comparison with commercial equipment results.

  9. Effects of oxygen partial pressure, deposition temperature, and annealing on the optical response of CdS:O thin films as studied by spectroscopic ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Junda, Maxwell M.; Grice, Corey R.; Subedi, Indra; Yan, Yanfa; Podraza, Nikolas J. [Department of Physics & Astronomy and The Wright Center for Photovoltaics Innovation & Commercialization, University of Toledo, Toledo, Ohio 43606 (United States)

    2016-07-07

    Ex-situ spectroscopic ellipsometry measurements are made on radio frequency magnetron sputtered oxygenated cadmium sulfide (CdS:O) thin films. Films are deposited onto glass substrates at room temperature and at 270 °C with varying oxygen to total gas flow ratios in the sputtering ambient. Ellipsometric spectra from 0.74 to 5.89 eV are collected before and after annealing at 607 °C to simulate the thermal processes during close-space sublimation of overlying cadmium telluride in that solar cell configuration. Complex dielectric function (ε = ε{sub 1} + iε{sub 2}) spectra are extracted for films as a function of oxygen gas flow ratio, deposition temperature, and post-deposition annealing using a parametric model accounting for critical point transitions and an Urbach tail for sub-band gap absorption. The results suggest an inverse relationship between degree of crystallinity and oxygen gas flow ratio, whereas annealing is shown to increase crystallinity in all samples. Direct band gap energies are determined from the parametric modeling of ε and linear extrapolations of the square of the absorption coefficient. As-deposited samples feature a range of band gap energies whereas annealing is shown to result in gap energies ranging only from 2.40 to 2.45 eV, which is close to typical band gaps for pure cadmium sulfide.

  10. Tunable optical properties of plasmonic Au/Al2O3 nanocomposite thin films analyzed by spectroscopic ellipsometry accounting surface characteristics.

    Science.gov (United States)

    Jaiswal, Jyoti; Mourya, Satyendra; Malik, Gaurav; Chandra, Ramesh

    2018-05-01

    In the present work, we have fabricated plasmonic gold/alumina nanocomposite (Au/Al 2 O 3 NC) thin films on a glass substrate at room temperature by RF magnetron co-sputtering. The influence of the film thickness (∼10-40  nm) on the optical and other physical properties of the samples was investigated and correlated with the structural and compositional properties. The X-ray diffractometer measurement revealed the formation of Au nanoparticles with average crystallite size (5-9.2 nm) embedded in an amorphous Al 2 O 3 matrix. The energy-dispersive X ray and X-ray photoelectron spectroscopy results confirmed the formation of Au/Al 2 O 3 NC quantitatively and qualitatively and it was observed that atomic% of Au increased by increasing thickness. The optical constants of the plasmonic Au/Al 2 O 3 NC thin films were examined by variable angle spectroscopic ellipsometry in the wide spectral range of 246-1688 nm, accounting the surface characteristics in the optical stack model, and the obtained results are expected to be unique. Additionally, a thickness-dependent blueshift (631-590 nm) of surface plasmon resonance peak was observed in the absorption spectra. These findings of the plasmonic Au/Al 2 O 3 NC films may allow the design and fabrication of small, compact, and efficient devices for optoelectronic and photonic applications.

  11. The passive oxide films growth on 316L stainless steel in borate buffer solution measured by real-time spectroscopic ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Haisong; Wang, Lu; Sun, Dongbai [National Center for Materials Service Safety (NCMS), University of Science and Technology Beijing, Beijing 100083 (China); Yu, Hongying, E-mail: hyyu@ustb.edu.cn [Institute of Advanced Materials and Technology, University of Science and Technology Beijing, Beijing 100083 (China)

    2015-10-01

    Highlights: • The optical properties of passive oxide films on 316L stainless steel were studied. • The thickness of the oxide films (1.5–2.6 nm) increased linearly with the potentials. • The growth of passive film followed high electric field ion conduction model. • Selective solubility of oxide induced compositional change of passive film. - Abstract: Passive film growth on 316L stainless steel was investigated in borate buffer electrolyte (pH = 9.1) by real-time spectroscopic ellipsometry (SE) and the composition was estimated by X-ray photoelectron spectroscopy (XPS). Anodic passivation of 316L SS was carried out in the potential range from 0 V{sub SCE} to 0.9 V{sub SCE}, after potentiostatic polarization for 1800s, the current density decayed from 10{sup −2} A cm{sup −2} to 10{sup −6} A cm{sup −2}. The passive film thickness was simulated from Frenel and Drude reflection equations, the average complex refractive index was assumed to be N = 2.3 − j0.445. The estimated thickness increased linearly with potential from 1.5 nm at 0 V to 2.6 nm at 0.8 V. The growth of passive film followed high electric field ion conduction model. The passive film mainly contained the oxide/hydroxide of iron and chromium. The selective solubility of oxide in passive film explained the change of iron and chromium content at different potentials. Few nickel and molybdenum also contributed to the passive film with a constant content.

  12. Real Time Spectroscopic Ellipsometry Analysis of First Stage CuIn1−xGaxSe2 Growth: Indium-Gallium Selenide Co-Evaporation

    Directory of Open Access Journals (Sweden)

    Puja Pradhan

    2018-01-01

    Full Text Available Real time spectroscopic ellipsometry (RTSE has been applied for in-situ monitoring of the first stage of copper indium-gallium diselenide (CIGS thin film deposition by the three-stage co-evaporation process used for fabrication of high efficiency thin film photovoltaic (PV devices. The first stage entails the growth of indium-gallium selenide (In1−xGax2Se3 (IGS on a substrate of Mo-coated soda lime glass maintained at a temperature of 400 °C. This is a critical stage of CIGS deposition because a large fraction of the final film thickness is deposited, and as a result precise compositional control is desired in order to achieve the optimum performance of the resulting CIGS solar cell. RTSE is sensitive to monolayer level film growth processes and can provide accurate measurements of bulk and surface roughness layer thicknesses. These in turn enable accurate measurements of the bulk layer optical response in the form of the complex dielectric function ε = ε1 − iε2, spectra. Here, RTSE has been used to obtain the (ε1, ε2 spectra at the measurement temperature of 400 °C for IGS thin films of different Ga contents (x deduced from different ranges of accumulated bulk layer thickness during the deposition process. Applying an analytical expression in common for each of the (ε1, ε2 spectra of these IGS films, oscillator parameters have been obtained in the best fits and these parameters in turn have been fitted with polynomials in x. From the resulting database of polynomial coefficients, the (ε1, ε2 spectra can be generated for any composition of IGS from the single parameter, x. The results have served as an RTSE fingerprint for IGS composition and have provided further structural information beyond simply thicknesses, for example information related to film density and grain size. The deduced IGS structural evolution and the (ε1, ε2 spectra have been interpreted as well in relation to observations from scanning electron microscopy, X

  13. Temperature-dependent and anisotropic optical response of layered Pr0.5Ca1.5MnO4 probed by spectroscopic ellipsometry

    NARCIS (Netherlands)

    Majidi, M. A.; Thoeng, E.; Gogoi, P. K.; Wendt, F.; Wang, S. H.; Santoso, I.; Asmara, T. C.; Handayani, I. P.; van Loosdrecht, P. H. M.; Nugroho, A. A.; Ruebhausen, M.; Rusydi, A.; Rübhausen, M.

    2013-01-01

    We study the temperature dependence as well as anisotropy of optical conductivity (sigma(1)) in the pseudocubic single crystal Pr0.5Ca1.5MnO4 using spectrocopic ellipsometry. Three transition temperatures are observed and can be linked to charge-orbital (T-CO/OO similar to 320 K),

  14. Combined ellipsometry and X-ray related techniques for studies of ultrathin organic nanocomposite films

    Energy Technology Data Exchange (ETDEWEB)

    Kraemer, Markus, E-mail: axo@standing-waves.d [Leibniz-Institut fuer Analytische Wissenschaften-ISAS-e.V., Bunsen-Kirchhoff-Str. 11, 44139 Dortmund (Germany); AXO DRESDEN GmbH, Siegfried-Raedel-Str. 31, 01809 Heidenau (Germany); Roodenko, Katy [Leibniz-Institut fuer Analytische Wissenschaften-ISAS-e.V.-Department Berlin, Albert-Einstein-Str. 9, 12489 Berlin (Germany); Laboratory for Surface and Nanostructure Modification, University of Texas at Dallas-NSERL, 800W. Campbell Rd., Richardson, TX 75080 (United States); Pollakowski, Beatrix [Physikalisch-Technische Bundesanstalt, Abbestr. 2-12, 10587 Berlin (Germany); Hinrichs, Karsten [Leibniz-Institut fuer Analytische Wissenschaften-ISAS-e.V.-Department Berlin, Albert-Einstein-Str. 9, 12489 Berlin (Germany); Rappich, Joerg [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Abteilung Silizium-Photovoltaik, Kekulestr. 5, 12489 Berlin (Germany); Esser, Norbert [Leibniz-Institut fuer Analytische Wissenschaften-ISAS-e.V.-Department Berlin, Albert-Einstein-Str. 9, 12489 Berlin (Germany); Bohlen, Alex von; Hergenroeder, Roland [Leibniz-Institut fuer Analytische Wissenschaften-ISAS-e.V., Bunsen-Kirchhoff-Str. 11, 44139 Dortmund (Germany)

    2010-07-30

    Ultrathin nanocomposite films of nitrobenzene on silicon were analyzed by Infrared Spectroscopic Ellipsometry (IRSE), X-ray reflectivity (XRR) and X-ray standing waves (XSW) before and after evaporation of gold. Infrared Spectroscopic Ellipsometry measurements were performed for identification of adsorbates and for investigation of the molecular orientation. Results for film thickness were correlated with XRR measurements. Further, XSW measurements of elements incorporated in nitrobenzene (C, N, and O) were performed with soft X-rays. The combination of the different methods allowed to confirm a model for the electrochemically deposited nitrobenzene films before and after gold evaporation. The characterization by XRR and XSW scans using hard X-rays showed that gold had penetrated into the nitrobenzene film and thus changed density and optical properties of this layer significantly. A depth profile correlated to the electron density is deduced from the XRR measurements. This profile allows to localize-in vertical direction-gold islands within the composite film.

  15. Spectroscopic characterization of alkaline earth uranyl carbonates

    International Nuclear Information System (INIS)

    Amayri, Samer; Reich, Tobias; Arnold, Thuro; Geipel, Gerhard; Bernhard, Gert

    2005-01-01

    A series of alkaline uranyl carbonates, M[UO 2 (CO 3 ) 3 ].nH 2 O (M=Mg 2 , Ca 2 , Sr 2 , Ba 2 , Na 2 Ca, and CaMg) was synthesized and characterized by inductively coupled plasma mass spectrometry (ICP-MS) and atomic absorption spectrometry (AAS) after nitric acid digestion, X-ray powder diffraction (XRD), and thermal analysis (TGA/DTA). The molecular structure of these compounds was characterized by extended X-ray absorption fine-structure (EXAFS) spectroscopy and X-ray photoelectron spectroscopy (XPS). Crystalline Ba 2 [UO 2 (CO 3 ) 3 ].6H 2 O was obtained for the first time. The EXAFS analysis showed that this compound consists of (UO 2 )(CO 3 ) 3 clusters similar to the other alkaline earth uranyl carbonates. The average U-Ba distance is 3.90+/-0.02A.Fluorescence wavelengths and life times were measured using time-resolved laser-induced fluorescence spectroscopy (TRLFS). The U-O bond distances determined by EXAFS, TRLFS, XPS, and Raman spectroscopy agree within the experimental uncertainties. The spectroscopic signatures observed could be useful for identifying uranyl carbonate species adsorbed on mineral surfaces

  16. Application of ellipsometry techniques to biological materials

    Energy Technology Data Exchange (ETDEWEB)

    Arwin, Hans, E-mail: han@ifm.liu.s

    2011-02-28

    Ellipsometry is well-suited for bioadsorption studies and numerous reports, mainly using null ellipsometry, are found on this subject whereas investigations addressing structural properties of thin biolayers are few. Here two examples based on the use of spectroscopic ellipsometry (SE) on the latter are briefly discussed. In the first example, time evolution of thickness, spectral refractive index and surface mass density of a fibrinogen matrix forming on a silicon substrate are investigated with SE and a structural model of the protein matrix is discussed. In the second example a model dielectric function concept for protein monolayers is presented. The model allows parameterization of the optical properties which facilitates monitoring of temperature induced degradation of a protein layer. More recently, photonic structures in beetles have been studied with SE. It is shown here that full Mueller-matrix SE can resolve very complex nanostructures in scarab beetles, more specifically chiral structures causing reflected light to become circularly polarized.

  17. Enhanced sensitivity to dielectric function and thickness of absorbing thin films by combining total internal reflection ellipsometry with standard ellipsometry and reflectometry

    International Nuclear Information System (INIS)

    Lizana, A; Foldyna, M; Garcia-Caurel, E; Stchakovsky, M; Georges, B; Nicolas, D

    2013-01-01

    High sensitivity of spectroscopic ellipsometry and reflectometry for the characterization of thin films can strongly decrease when layers, typically metals, absorb a significant fraction of the light. In this paper, we propose a solution to overcome this drawback using total internal reflection ellipsometry (TIRE) and exciting a surface longitudinal wave: a plasmon-polariton. As in the attenuated total reflectance technique, TIRE exploits a minimum in the intensity of reflected transversal magnetic (TM) polarized light and enhances the sensitivity of standard methods to thicknesses of absorbing films. Samples under study were stacks of three films, ZnO : Al/Ag/ZnO : Al, deposited on glass substrates. The thickness of the silver layer varied from sample to sample. We performed measurements with a UV–visible phase-modulated ellipsometer, an IR Mueller ellipsometer and a UV–NIR reflectometer. We used the variance–covariance formalism to evaluate the sensitivity of the ellipsometric data to different parameters of the optical model. Results have shown that using TIRE doubled the sensitivity to the silver layer thickness when compared with the standard ellipsometry. Moreover, the thickness of the ZnO : Al layer below the silver layer can be reliably quantified, unlike for the fit of the standard ellipsometry data, which is limited by the absorption of the silver layer. (paper)

  18. Enhanced sensitivity to dielectric function and thickness of absorbing thin films by combining total internal reflection ellipsometry with standard ellipsometry and reflectometry

    Science.gov (United States)

    Lizana, A.; Foldyna, M.; Stchakovsky, M.; Georges, B.; Nicolas, D.; Garcia-Caurel, E.

    2013-03-01

    High sensitivity of spectroscopic ellipsometry and reflectometry for the characterization of thin films can strongly decrease when layers, typically metals, absorb a significant fraction of the light. In this paper, we propose a solution to overcome this drawback using total internal reflection ellipsometry (TIRE) and exciting a surface longitudinal wave: a plasmon-polariton. As in the attenuated total reflectance technique, TIRE exploits a minimum in the intensity of reflected transversal magnetic (TM) polarized light and enhances the sensitivity of standard methods to thicknesses of absorbing films. Samples under study were stacks of three films, ZnO : Al/Ag/ZnO : Al, deposited on glass substrates. The thickness of the silver layer varied from sample to sample. We performed measurements with a UV-visible phase-modulated ellipsometer, an IR Mueller ellipsometer and a UV-NIR reflectometer. We used the variance-covariance formalism to evaluate the sensitivity of the ellipsometric data to different parameters of the optical model. Results have shown that using TIRE doubled the sensitivity to the silver layer thickness when compared with the standard ellipsometry. Moreover, the thickness of the ZnO : Al layer below the silver layer can be reliably quantified, unlike for the fit of the standard ellipsometry data, which is limited by the absorption of the silver layer.

  19. Spectroscopic Characterization of Omeprazole and Its Salts

    Directory of Open Access Journals (Sweden)

    Tomislav Vrbanec

    2017-01-01

    Full Text Available During drug development, it is important to have a suitable crystalline form of the active pharmaceutical ingredient (API. Mostly, the basic options originate in the form of free base, acid, or salt. Substances that are stable only within a certain pH range are a challenge for the formulation. For the prazoles, which are known to be sensitive to degradation in an acid environment, the formulation is stabilized with alkaline additives or with the application of API formulated as basic salts. Therefore, preparation and characterization of basic salts are needed to monitor any possible salinization of free molecules. We synthesized salts of omeprazole from the group of alkali metals (Li, Na, and K and alkaline earth metals (Mg, Ca. The purpose of the presented work is to demonstrate the applicability of vibrational spectroscopy to discriminate between the OMP and OMP-salt molecules. For this reason, the physicochemical properties of 5 salts were probed using infrared and Raman spectroscopy, NMR, TG, DSC, and theoretical calculation of vibrational frequencies. We found out that vibrational spectroscopy serves as an applicable spectroscopic tool which enables an accurate, quick, and nondestructive way to determine the characteristic of OMP and its salts.

  20. Ellipsometry at the nanoscale

    CERN Document Server

    Hingerl, Kurt

    2013-01-01

    This book presents and introduces ellipsometry in nanoscience and nanotechnology making a bridge between the classical and nanoscale optical behaviour of materials. It delineates the role of the non-destructive and non-invasive optical diagnostics of ellipsometry in improving science and technology of nanomaterials and related processes by illustrating its exploitation, ranging from fundamental studies of the physics and chemistry of nanostructures to the ultimate goal of turnkey manufacturing control. This book is written for a broad readership: materials scientists, researchers, engineers, as well as students and nanotechnology operators who want to deepen their knowledge about both basics and applications of ellipsometry to nanoscale phenomena. It starts as a general introduction for people curious to enter the fields of ellipsometry and polarimetry applied to nanomaterials and progresses to articles by experts on specific fields that span from plasmonics, optics, to semiconductors and flexible electronics...

  1. Dielectric functions and energy band gap variation studies of manganese doped Bi{sub 3.25}La{sub 0.75}Ti{sub 3}O{sub 12} thin films using spectroscopic ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Gautam, Prikshit, E-mail: pgautam.phy.du@gmail.com [Department of Physics and Astrophysics, University of Delhi (DU), Delhi 110007 (India); Department of Physics Kirori Mal College, University of Delhi, Delhi 110007 (India); Sachdeva, Anupama [Department of Physics and Astrophysics, University of Delhi (DU), Delhi 110007 (India); Singh, Sushil K. [Functional Materials Division, SSPL, Timarpur, New Delhi 110054 (India); Tandon, R.P., E-mail: ram_tandon@hotmail.com [Department of Physics and Astrophysics, University of Delhi (DU), Delhi 110007 (India)

    2014-12-25

    Highlights: • Mn Doped Bi{sub 3.25}La{sub 0.75}Ti{sub 3}O{sub 12} (BLT) thin films prepared by chemical solution deposition technique. • Raman spectroscopy of these films shows that Mn{sup 3+} is well substituted at Ti{sup 4+} site. • The optical properties of BLT and Mn modified BLT thin films were investigated by using spectroscopic ellipsometry. • A double Tauc–Lorentz (DTL) dispersion relation was successfully used to model the dielectric functions. • The direct optical band gap (Eg{sup d}) is found to decrease with increase in Mn content. - Abstract: Single phase polycrystalline Mn-modified Bi{sub 3.25}La{sub 0.75}Ti{sub 3}O{sub 12} (BLT) thin films were prepared by chemical solution deposition method using spin coating technique on Pt/Ti/SiO{sub 2}/Si (1 0 0) substrates. Raman spectroscopy of these films shows that Mn{sup 3+} is well substituted at Ti{sup 4+} site. The optical properties of BLT and Mn modified BLT thin films were investigated at room temperature by using spectroscopic ellipsometry (SE) in the energy range 0.72–6.2 eV. A double Tauc–Lorentz (DTL) dispersion relation was successfully used to model the dielectric functions of these films where a shift to the lower energy side with Mn doping is seen. The full width at half maxima (FWHM) (Γ) of dielectric function is found to increase with Mn doping. This increase in FWHM may be attributed to the increase in the trap density in forbidden band which consequently decreases the value of direct optical band gap (Eg{sup d}). The direct optical band gap (Eg{sup d}) is found to decrease with increase in Mn content in the studied composition range. This decrease in Eg{sup d} with doping may be attributed to the variation in the defect concentration present in the structure.

  2. The optical properties of transferred graphene and the dielectrics grown on it obtained by ellipsometry

    Science.gov (United States)

    Kasikov, Aarne; Kahro, Tauno; Matisen, Leonard; Kodu, Margus; Tarre, Aivar; Seemen, Helina; Alles, Harry

    2018-04-01

    Graphene layers grown by chemical vapour deposition (CVD) method and transferred from Cu-foils to the oxidized Si-substrates were investigated by spectroscopic ellipsometry (SE), Raman and X-Ray Photoelectron Spectroscopy (XPS) methods. The optical properties of transferred CVD graphene layers do not always correspond to the ones of the exfoliated graphene due to the contamination from the chemicals used in the transfer process. However, the real thickness and the mean properties of the transferred CVD graphene layers can be found using ellipsometry if a real thickness of the SiO2 layer is taken into account. The pulsed laser deposition (PLD) and atomic layer deposition (ALD) methods were used to grow dielectric layers on the transferred graphene and the obtained structures were characterized using optical methods. The approach demonstrated in this work could be useful for the characterization of various materials grown on graphene.

  3. Ellipsometry and energy characterization of the electron impact polymerization in the range 0–20 eV

    International Nuclear Information System (INIS)

    Zyn, V.I.

    2016-01-01

    The electron impact polymerization of adsorbed vapors of a hydrocarbon vacuum oil with molecular mass 450 Da (C 32 H 66 ) has been studied in-situ in the range 0–20 eV using ellipsometry and a servo system with the Kelvin's vibrating probe. This allowed registering at the same time the two energy-dependent characteristics (spectra) of the process: the film growth rate and the electrical potential of the irradiated surface. The first spectrum has two resonance maxima near 2.5 and 9.5 eV while the surface potential has only one weak extremum near 9.5 eV. The first growth rate peak at 2.5 eV was connected with a creation of radicals through a resonant process of the dissociative electron attachment and beginning polymerization. The peaks at 9.5 eV in both the spectra mean accelerating polymerization and decreasing surface charge owing to simultaneous birth of highly active radicals and free electrons. The single resonant process controlling both the processes simultaneously is the dissociative attachment of an electron to an anti-bonding molecular orbital, almost the same as at the 2.5 eV but differing by deeper decomposition of the transient anion, among the products of which are now not the radicals only but also free electrons. The kinetic curves obtained in pulsed regimes of the electron bombardment were qualitatively identical for different precursors and were used for calculations of cross sections of these processes. - Highlights: • Obtaining spectra of activated polymerization using ellipsometry and Kelvin probe. • Identified: two resonant and one non-resonant mechanisms of the activation. • The resonances are due to the action of the dissociative electron attachment. • Kinetics of transient processes in adsorbed layer under 20 eV pulsed electron beam.

  4. Optical investigations of La0.7Ca0.3-xKxMnO3 (x = 0.00, 0.05 and 0.10 probed by spectroscopic ellipsometry

    Directory of Open Access Journals (Sweden)

    N. Sdiri

    2012-07-01

    Full Text Available Using spectroscopic ellipsometry, we have studied the optical properties of doped manganites at the paramagnetic state in polycrystalline La0.7Ca0.3-xKxMnO3 samples for (x = 0.00, 0.05 and 0.10 in the energy range of 3.2-5.5 eV at room temperature. The surface morphology of the samples was obtained by using atomic force microscopy (AFM. Refractive indices, extinction coefficients, the transmission ellipsometric parameters Ψ and Δ are investigated at different wavelengths. The study of the optical conductivity σ reveals that optical behaviour and the activated transport in the paramagnetic state of these materials are consistent with Jahn-Teller small polaron. In addition, the spectrum of the complex dielectric constant ε reveals peaks for all samples, the results may be explained by the presence of space charges from the strongly dipole-allowed O(2p−Mn(3d transition.

  5. Spectroscopic methods for characterization of nuclear fuels

    International Nuclear Information System (INIS)

    Sastry, M.D.

    1999-01-01

    Spectroscopic techniques have contributed immensely in the characterisation and speciation of materials relevant to a variety of applications. These techniques have time tested credentials and continue to expand into newer areas. In the field of nuclear fuel fabrication, atomic spectroscopic methods are used for monitoring the trace metallic constituents in the starting materials and end product, and for monitoring process pick up. The current status of atomic spectroscopic methods for the determination of trace metallic constituents in nuclear fuel materials will be briefly reviewed and new approaches will be described with a special emphasis on inductively coupled plasma techniques and ETV-ICP-AES hyphenated techniques. Special emphasis will also be given in highlighting the importance of chemical separation procedures for the optimum utilization of potential of ICP. The presentation will also include newer techniques like Photo Acoustic Spectroscopy, and Electron Paramagnetic Resonance (EPR) Imaging. PAS results on uranium and plutonium oxides will be described with a reference to the determination of U 4+ /U 6+ concentration in U 3 O 8 . EPR imaging techniques for speciation and their spatial distribution in solids will be described and its potential use for Gd 3+ containing UO 2 pellets (used for flux flattening) will be highlighted. (author)

  6. On-line monitoring of solar cell module production by ellipsometry technique

    International Nuclear Information System (INIS)

    Fried, M.

    2014-01-01

    Non-destructive analyzing tools are needed at all stages of thin film photovoltaic (PV) development, and on production lines. In thin film PV, layer thicknesses, micro-structure, composition, layer optical properties, and their uniformity (because each elementary cell is connected electrically in series within a big panel) serve as an important starting point in the evaluation of the performance of the cell or module. An important focus is to express the dielectric functions of each component material in terms of a handful of wavelength independent parameters whose variation can cover all process variants of that material. With the resulting database, spectroscopic ellipsometry coupled with multilayer analysis can be developed for on-line point-by-point mapping and on-line line-by-line imaging. This work tries to review the investigations of different types of PV-layers (anti-reflective coating, transparent-conductive oxide (TCO), multi-diode-structure, absorber and window layers) showing the existing dielectric function databases for the thin film components of CdTe, CuInGaSe 2 , thin Si, and TCO layers. Off-line point-by-point mapping can be effective for characterization of non-uniformities in full scale PV panels in developing labs but it is slow in the on-line mode when only 15 points can be obtained (within 1 min) as a 120 cm long panel moves by the mapping station. In the last years [M. Fried et al., Thin Solid Films 519, 2730 (2011)], instrumentation was developed that provides a line image of spectroscopic ellipsometry (wl = 350–1000 nm) data. Up to now a single 30 point line image can be collected in 10 s over a 15 cm width of PV material. This year we are building a 30 and a 60 cm width expanded beam ellipsometer the speed of which will be increased by 10 ×. Then 1800 points can be mapped in a 1 min traverse of a 60 ∗ 120 cm PV panel or flexible roll-to-roll substrate. - Highlights: • Instrumentation developed provides a line image of

  7. On-line monitoring of solar cell module production by ellipsometry technique

    Energy Technology Data Exchange (ETDEWEB)

    Fried, M., E-mail: fried@mfa.kfki.hu

    2014-11-28

    Non-destructive analyzing tools are needed at all stages of thin film photovoltaic (PV) development, and on production lines. In thin film PV, layer thicknesses, micro-structure, composition, layer optical properties, and their uniformity (because each elementary cell is connected electrically in series within a big panel) serve as an important starting point in the evaluation of the performance of the cell or module. An important focus is to express the dielectric functions of each component material in terms of a handful of wavelength independent parameters whose variation can cover all process variants of that material. With the resulting database, spectroscopic ellipsometry coupled with multilayer analysis can be developed for on-line point-by-point mapping and on-line line-by-line imaging. This work tries to review the investigations of different types of PV-layers (anti-reflective coating, transparent-conductive oxide (TCO), multi-diode-structure, absorber and window layers) showing the existing dielectric function databases for the thin film components of CdTe, CuInGaSe{sub 2}, thin Si, and TCO layers. Off-line point-by-point mapping can be effective for characterization of non-uniformities in full scale PV panels in developing labs but it is slow in the on-line mode when only 15 points can be obtained (within 1 min) as a 120 cm long panel moves by the mapping station. In the last years [M. Fried et al., Thin Solid Films 519, 2730 (2011)], instrumentation was developed that provides a line image of spectroscopic ellipsometry (wl = 350–1000 nm) data. Up to now a single 30 point line image can be collected in 10 s over a 15 cm width of PV material. This year we are building a 30 and a 60 cm width expanded beam ellipsometer the speed of which will be increased by 10 ×. Then 1800 points can be mapped in a 1 min traverse of a 60 ∗ 120 cm PV panel or flexible roll-to-roll substrate. - Highlights: • Instrumentation developed provides a line image of

  8. Real time ellipsometry for monitoring plasma-assisted epitaxial growth of GaN

    Energy Technology Data Exchange (ETDEWEB)

    Bruno, Giovanni [Institute of Inorganic Methodologies and of Plasmas, IMIP-CNR and INSTM UdR Bari, via Orabona, 4, 70126 Bari (Italy); Losurdo, Maria [Institute of Inorganic Methodologies and of Plasmas, IMIP-CNR and INSTM UdR Bari, via Orabona, 4, 70126 Bari (Italy)]. E-mail: maria.losurdo@ba.imip.cnr.it; Giangregorio, Maria M. [Institute of Inorganic Methodologies and of Plasmas, IMIP-CNR and INSTM UdR Bari, via Orabona, 4, 70126 Bari (Italy); Capezzuto, Pio [Institute of Inorganic Methodologies and of Plasmas, IMIP-CNR and INSTM UdR Bari, via Orabona, 4, 70126 Bari (Italy); Brown, April S. [Department of Electrical and Computer Engineering, Duke University, 128 Hudson Hall, Durham, NC (United States); Kim, Tong-Ho [Department of Electrical and Computer Engineering, Duke University, 128 Hudson Hall, Durham, NC (United States); Choi, Soojeong [Department of Electrical and Computer Engineering, Duke University, 128 Hudson Hall, Durham, NC (United States)

    2006-10-31

    GaN is grown on Si-face 4H-SiC(0 0 0 1) substrates using remote plasma-assisted methods including metalorganic chemical vapour deposition (RP-MOCVD) and molecular beam epitaxy (MBE). Real time spectroscopic ellipsometry is used for monitoring all the steps of substrate pre-treatments and the heteroepitaxial growth of GaN on SiC. Our characterization emphasis is on understanding the nucleation mechanism and the GaN growth mode, which depend on the SiC surface preparation.

  9. Application of Fourier transform infrared ellipsometry to assess the concentration of biological molecules

    Science.gov (United States)

    Garcia-Caurel, Enric; Drevillon, Bernard; De Martino, Antonello; Schwartz, Laurent

    2002-12-01

    Spectroscopic ellipsometry is a noninvasive optical characterization technique mainly used in the semiconductor field to characterize bare substrates and thin films. In particular, it allows the gathering of information concerning the physical structure of the sample, such as roughness and film thickness, as well as its optical response. In the mid-infrared (IR) range each molecule exhibits a characteristic absorption fingerprint, which makes this technique chemically selective. Phase-modulated IR ellipsometry does not require a baseline correction procedure or suppression of atmospheric CO2 and water-vapor absorption bands, thus greatly reducing the subjectivity in data analysis. We have found that ellipsometric measurements of thin films, such as the solid residuals left on a plane surface after evaporation of a liquid drop containing a given compound in solution, are particularly favorable for dosing purposes because the intensity of IR absorptions shows a linear behavior along a wide range of solution concentrations of the given compound. Our aim is to illustrate with a concrete example and to justify theoretically the linearity experimentally found between radiation absorption and molecule concentration. For the example, we prepared aqueous solutions of glycogen, a molecule of huge biological importance currently tested in biochemical analyses, at concentrations ranging from 1 mg/l to 1 g/l, which correspond to those found in physiological conditions. The results of this example are promising for the application of ellipsometry for dosing purposes in biochemistry and biomedicine.

  10. Electrochemical synthesis and spectroscopic characterization of ...

    African Journals Online (AJOL)

    phenylpyrrole) coatings in an organic medium on iron and platinum electrodes. ... XPS measurements, infrared (FT-IR) and electronic absorption (UV-vis) spectroscopies were used to characterize the iron and platinum-coated electrodes. Finally the ...

  11. Synthesis, spectroscopic characterization and catalytic oxidation ...

    Indian Academy of Sciences (India)

    were characterized by infrared, electronic, electron paramagnetic resonance ... The catalytic oxidation property of ruthenium(III) complexes were also ... cies at room temperature. ..... aldehyde part of Schiff base ligands, catalytic activ- ity of new ...

  12. electrochemical synthesis and spectroscopic characterization of poly ...

    African Journals Online (AJOL)

    a

    to characterize the iron and platinum-coated electrodes. Finally the ... their derivatives, is easily anodically performed on inert substrates such as platinum, gold, glassy carbon and .... because the electrode is more significantly protected. After 5 ...

  13. Spectroscopic characterizations of organic/inorganic nanocomposites

    Science.gov (United States)

    Govani, Jayesh R.

    2009-12-01

    In the present study, pure and 0.3 wt%, 0.4 wt%, as well as 0.5 wt% L-arginine doped potassium dihydrogen phosphate (KDP) crystals were grown using solution growth techniques and further subjected to infrared (IR) absorption and Raman studies for confirmation of chemical group functionalization for investigating the incorporation mechanism of the L-arginine organic material into the KDP crystal structure. Infrared spectroscopic analysis suggests that structural changes are occurring for the L-arginine molecule as a result of its interaction with the KPD crystal. Infrared spectroscopic technique confirms the disturbance of the N-H, C-H and C-N bonds of the amino acid, suggesting successful incorporation of L-arginine into the KDP crystals. Raman analysis also reveals modification of the N-H, C-H and C-N bonds of the amino acid, implying successful inclusion of L-arginine into the KDP crystals. With the help of Gaussian software, a prediction of possible incorporation mechanisms of the organic material was obtained from comparison of the simulated infrared and Raman vibrational spectra with the experimental results. Furthermore, we also studied the effect of L-arginine doping on the thermal stability of the grown KDP crystal by employing Thermo gravimetric analysis (TGA). TGA suggests that increasing the level of L-arginine doping speeds the decomposition process and it weakens the KDP crystal, which indicates successful doping of the KDP crystals with L-arginine amino acid. Urinary stones are one of the oldest and most widely spread diseases in humans, animals and birds. Many remedies have been employed through the ages for the treatment of urinary stones. Recent medicinal measures reflect the modern advances, which are based on surgical removal, percutaneous techniques and extracorporeal shock wave lithotripsy (ESWL). Although these procedures are valuable, they are quite expensive for most people. Furthermore, recurrence of these diseases is awfully frequent with

  14. Moessbauer spectroscopic characterization of ferrite ceramics

    International Nuclear Information System (INIS)

    Music, S.; Ristic, M.

    1999-01-01

    The principle of Moessbauer effect and the nature of hyperfine interactions were presented. The discovery of the Moessbauer effect was the basis of a new spectroscopic technique, called Moessbauer spectroscopy, which has already made important contribution to research in physics, chemistry, metallurgy, mineralogy and biochemistry. In the present work the selected ferrites such as spinel ferrite, NiFe 2 O 4 , and some rare earth orthoferrites and garnets were investigated using Moessbauer spectroscopy. X-ray powder diffraction and Fourier transform infrared spectroscopy were used as complementary techniques. The formation of NiFe 2 O 4 was monitored during the thermal decomposition of mixed salt (Ni(NO 3 ) 2 +2Fe(NO 3 ) 3 )nH 2 O. The ferritization of Ni 2+ ions was observed at 500 deg. C and after heating at 1300 deg. C the stoichiometric NiFe 2 O 4 was produced. The Moessbauer parameters obtained for NiFe 2 O 4 , d Fe = 0.36 mm s -1 and HMF = 528 kOe, can be ascribed to Fe 3+ ions in the octahedral sublattice, while parameters d Fe = 0.28 mm s -1 and HMF = 494 kOe can be ascribed to Fe 3+ ions in the tetrahedral lattice. The effect of ball-milling of NiFe 2 O 4 was monitored. The formation of oxide phases and their properties in the systems Nd 2 O 3 -Fe 2 O 3 , Sm 2 O 3 -Fe 2 O 3 , Gd 2 O 3 -Fe 2 O 3 , Eu 2 O 3 -Fe 2 O 3 and Er 2 O 3 -Fe 2 O 3 were also investigated. Quantitative distributions of oxide phases, a-Fe 2 O 3 , R 2 O 3 , R 3 Fe 5 O 12 and RFeO 3 , R = Gd or Eu, were determined for the systems xGd 2 O 3 +(1-x)Fe 2 O 3 and xEu 2 O 3 +(1-x)Fe 2 O 3 . The samples, prepared by chemical coprecipitation in the system xEu 2 O 3 +(1-x)Fe 2 O 3 , 0≤x≤1, were completely amorphous as observed by XRD, even at the relatively high temperature of the sample preparation (600 deg. C). Similar behavior was observed during the formation of Er 3 Fe 5 O 12 . Moessbauer spectroscopy indicated that this 'amorphous' phase is actually composed of very small and/or poor

  15. Preliminary spectroscopic characterization of PEGylated mucin, a ...

    African Journals Online (AJOL)

    The matrices were characterized with respect to compatibility using the Fourier transform infrared (FT-IR) spectroscopy. Results of the qualitative tests performed on the snail mucin showed that carbohydrates, proteins and trace amounts of fats were present; the extracted mucin was light-brownish in colour, with a pleasant ...

  16. Opto-nanomechanical spectroscopic material characterization

    Science.gov (United States)

    Tetard, L.; Passian, A.; Farahi, R. H.; Thundat, T.; Davison, B. H.

    2015-10-01

    The non-destructive, simultaneous chemical and physical characterization of materials at the nanoscale is an essential and highly sought-after capability. However, a combination of limitations imposed by Abbe diffraction, diffuse scattering, unknown subsurface, electromagnetic fluctuations and Brownian noise, for example, have made achieving this goal challenging. Here, we report a hybrid approach for nanoscale material characterization based on generalized nanomechanical force microscopy in conjunction with infrared photoacoustic spectroscopy. As an application, we tackle the outstanding problem of spatially and spectrally resolving plant cell walls. Nanoscale characterization of plant cell walls and the effect of complex phenotype treatments on biomass are challenging but necessary in the search for sustainable and renewable bioenergy. We present results that reveal both the morphological and compositional substructures of the cell walls. The measured biomolecular traits are in agreement with the lower-resolution chemical maps obtained with infrared and confocal Raman micro-spectroscopies of the same samples. These results should prove relevant in other fields such as cancer research, nanotoxicity, and energy storage and production, where morphological, chemical and subsurface studies of nanocomposites, nanoparticle uptake by cells and nanoscale quality control are in demand.

  17. Jet Fuel Thermal Stability Investigations Using Ellipsometry

    Science.gov (United States)

    Nash, Leigh; Vasu, Subith S.; Klettlinger, Jennifer Lindsey

    2017-01-01

    Jet fuels are typically used for endothermic cooling in practical engines where their thermal stability is very important. In this work the thermal stability of Sasol IPK (a synthetic jet fuel) with varying levels of naphthalene has been studied on stainless steel substrates using spectroscopic ellipsometry in the temperature range 385-400 K. Ellipsometry is an optical technique that measures the changes in a light beam’s polarization and intensity after it reflects off of a thin film to determine the film’s thickness and optical properties. All of the tubes used were rated as thermally unstable by the color standard portion of the Jet Fuel Thermal Oxidation Test, and this was confirmed by the deposit thicknesses observed using ellipsometry. A new amorphous model on a stainless steel substrate was used to model the data and obtain the results. It was observed that, as would be expected, increasing the temperature of the tube increased the overall deposit amount for a constant concentration of naphthalene. The repeatability of these measurements was assessed using multiple trials of the same fuel at 385 K. Lastly, the effect of increasing the naphthalene concentration in the fuel at a constant temperature was found to increase the deposit thickness.In conclusion, ellipsometry was used to investigate the thermal stability of jet fuels on stainless steel substrate. The effects of increasing temperature and addition of naphthalene on stainless steel tubes with Sasol IPK fuel were investigated. It was found, as expected, that increasing temperature lead to an increase in deposit thickness. It wasAmerican Institute of Aeronautics and Astronautics6also found that increasing amounts of naphthalene increased the maximum deposit thickness. The repeatability of these measurements was investigated using multiple tests at the same conditions. The present work provides as a better quantitative tool compared to the widely used JFTOT technique. Future work will expand on the

  18. Spectroscopic characterization of matrix isolated transient species

    Science.gov (United States)

    Lue, Christopher J.

    short lived fluorescence was assigned to UCl 4, and the long-lived fluorescence was assigned to UOCl x. A low resolution map for the electronic levels in UOCl x was created. One of the first LIF studies of actinide containing molecules was performed by Grzybowski and Andrews[1] for UF6. While, the same group later recorded IR spectra for the UFx fragements[2], no fluorescence spectra were recorded. Spectra were recorded here of UF x fragments trapped in solid formed by either passing UF 6 through a microwave discharge or ablating U atoms into an F2 /Ar mixture. At the time of these experiments, the IR spectrometer was not available, and the molecules producing the fluorescence could not be deduced solely from the LIF spectra. A comparison with previous IR spectra[2] gave some indication of possible candidates. In all the experiments that investigated uranium containing matrices with IR spectroscopy, UN2 was observed. A search was undertaken to observe fluorescence from UN2. To insure a good yield of UN 2, 1% N2 was added to the carrier gas. The fluorescence spectra observed in these experiments was very intriguing, but was determined not to be coming from UN2, rather it appears to be coming from U atom clusters. However further experiments are necessary to confirm how many atoms are in the clusters. The final part of this thesis focuses on the electronic spectra of Xe-OH isolated solid Ar. Rare gas radical systems (Rg-X) such as Rg-OH are a good model system for studying weak, long range intermolecular interactions. It is known that when Rg=Xe, the strength of the interaction is much larger. For most Rg-OH complexes, the spectroscopic constants have been determined previously[3]. However, the constants for Xe-OH ares currently undetermined. Gas-phase studies were undertaken to determined these constants.[4] However, these experiments were in conflict with previous LIF spectra recorded in a matrix in which Goodman and Brus[5] observed that the A → X emission band for

  19. Spectroscopic characterization of low dose rate brachytherapy sources

    Science.gov (United States)

    Beach, Stephen M.

    The low dose rate (LDR) brachytherapy seeds employed in permanent radioactive-source implant treatments usually use one of two radionuclides, 125I or 103Pd. The theoretically expected source spectroscopic output from these sources can be obtained via Monte Carlo calculation based upon seed dimensions and materials as well as the bare-source photon emissions for that specific radionuclide. However the discrepancies resulting from inconsistent manufacturing of sources in comparison to each other within model groups and simplified Monte Carlo calculational geometries ultimately result in undesirably large uncertainties in the Monte Carlo calculated values. This dissertation describes experimentally attained spectroscopic outputs of the clinically used brachytherapy sources in air and in liquid water. Such knowledge can then be applied to characterize these sources by a more fundamental and metro logically-pure classification, that of energy-based dosimetry. The spectroscopic results contained within this dissertation can be utilized in the verification and benchmarking of Monte Carlo calculational models of these brachytherapy sources. This body of work was undertaken to establish a usable spectroscopy system and analysis methods for the meaningful study of LDR brachytherapy seeds. The development of a correction algorithm and the analysis of the resultant spectroscopic measurements are presented. The characterization of the spectrometer and the subsequent deconvolution of the measured spectrum to obtain the true spectrum free of any perturbations caused by the spectrometer itself is an important contribution of this work. The approach of spectroscopic deconvolution that was applied in this work is derived in detail and it is applied to the physical measurements. In addition, the spectroscopically based analogs to the LDR dosimetry parameters that are currently employed are detailed, as well as the development of the theory and measurement methods to arrive at these

  20. Optical characterization of extremely small volumes of liquid in sub-micro-holes by simultaneous reflectivity, ellipsometry and spectrometry.

    Science.gov (United States)

    Holgado, M; Casquel, R; Sánchez, B; Molpeceres, C; Morales, M; Ocaña, J L

    2007-10-01

    We have fabricated and characterized a lattice of submicron cone-shaped holes on a SiO(2)/Si wafer. Reflectivity profiles as a function of angle of incidence and polarization, phase shift and spectrometry are obtained for several fluids with different refractive indexes filling the holes. The optical setup allows measuring in the center of a single hole and collecting all data simultaneously, which can be applied for measuring extremely low volumes of fluid (in the order of 0.1 femtolitres) and label-free immunoassays, as it works as a refractive index sensor. A three layer film stack model is defined to perform theoretical calculations.

  1. Ellipsometry of functional organic surfaces and films

    CERN Document Server

    Hinrichs, Karsten

    2013-01-01

    Ellipsometry is the method of choice to determin the properties of surfaces and thin films. It provides comprehensive and sensitive characterization in a contactless and non-invasive measurements. This book gives a state-of-the-art survey of ellipsometric investigations of organic films and surfaces, from laboratory to synchrotron applications, with a special focus on in-situ use in processing environments and at solid-liquid interfaces.

  2. Spectroscopic characterization of uranium in evaporation basin sediments

    Science.gov (United States)

    Duff, M. C.; Morris, D. E.; Hunter, D. B.; Bertsch, P. M.

    2000-05-01

    Evaporation ponds in the San Joaquin Valley (SJV), CA, used for the containment of irrigation drainage waters contain elevated levels of uranium (U) resulting from the extensive leaching by carbonate-rich irrigation waters of the local agricultural soils that contain low levels of naturally-occurring U. The SJV ponds are subjected to changes in redox chemistry with cycles of drying and flooding. Our past studies have shown that U in the SJV Pond 14 surface sediments is present as mostly the oxidized and soluble form, U(VI). However, we were uncertain whether the U in the soil was only present as a U oxide of mixed stoichiometry, such as U 3O 8(s) (pitchblende) or other species. Here we present characterization information, which includes wet chemical and in situ spectroscopic techniques (X-ray absorption near-edge structure (XANES) and low temperature time-resolved luminescence spectroscopies) for samples from two SJV Pond sediments. Surface sediments from SJV Pond 16 were characterized for average oxidation state of U with XANES spectroscopy. The fraction of U(VI) to U(IV) in the Pond 16 sediments decreased with depth with U(IV) being the dominant oxidation state in the 5 cm to 15 cm depth. Two luminescent U(VI) species were identified in the surface sediments from Pond 14; a U(VI)-tricarbonate phase and another phase likely comprised of U(VI)-hydroxide or hydroxycarbonate. The luminescent U(VI) population in the Pond 16 sediments is dominated by species with comparable spectral characteristics to the U(VI)-hydroxide or hydroxycarbonate species found in the Pond 14 sediments. The luminescence spectroscopic results were complemented by wet chemical U leaching methods, which involved the use of carbonate and sulfuric acid solutions and oxidizing solutions of peroxide, hypochlorite and Mn(IV). Leaching was shown to decrease the total U concentration in the sediments in all cases. However, results from luminescence studies of the residual fraction in the leached

  3. Amino Acid and Peptide Immobilization on Oxidized Nanocellulose: Spectroscopic Characterization

    Science.gov (United States)

    Barazzouk, Saïd; Daneault, Claude

    2012-01-01

    In this work, oxidized nanocellulose (ONC) was synthesized and chemically coupled with amino acids and peptides using a two step coupling method at room temperature. First, ONC was activated by N-ethyl-N’-(3-dimethylaminopropyl) carbodiimide hydrochloride, forming a stable active ester in the presence of N-hydroxysuccinimide. Second, the active ester was reacted with the amino group of the amino acid or peptide, forming an amide bond between ONC and the grafted molecule. Using this method, the intermolecular interaction of amino acids and peptides was avoided and uniform coupling of these molecules on ONC was achieved. The coupling reaction was very fast in mild conditions and without alteration of the polysaccharide. The coupling products (ONC-amino acids and ONC-peptides) were characterized by transmission electron microscopy and by the absorption, emission, Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) spectroscopic techniques. PMID:28348303

  4. Amino Acid and Peptide Immobilization on Oxidized Nanocellulose: Spectroscopic Characterization

    Directory of Open Access Journals (Sweden)

    Claude Daneault

    2012-06-01

    Full Text Available In this work, oxidized nanocellulose (ONC was synthesized and chemically coupled with amino acids and peptides using a two step coupling method at room temperature. First, ONC was activated by N-ethyl-N’-(3-dimethylaminopropyl carbodiimide hydrochloride, forming a stable active ester in the presence of N-hydroxysuccinimide. Second, the active ester was reacted with the amino group of the amino acid or peptide, forming an amide bond between ONC and the grafted molecule. Using this method, the intermolecular interaction of amino acids and peptides was avoided and uniform coupling of these molecules on ONC was achieved. The coupling reaction was very fast in mild conditions and without alteration of the polysaccharide. The coupling products (ONC-amino acids and ONC-peptides were characterized by transmission electron microscopy and by the absorption, emission, Fourier transform infrared spectroscopy (FTIR and X-ray photoelectron spectroscopy (XPS spectroscopic techniques.

  5. A note on the use of ellipsometry for studying the kinetics of ...

    Indian Academy of Sciences (India)

    Ellipsometry is currently one of the most important techniques for characterization of the deposition and growth mode of ultra thin organic films. However, it is well known that for thicknesses normally encountered in organic monolayer films, as would occur for example in self-assembled monolayers, ellipsometry cannot be ...

  6. Surface spectroscopic characterization of a model methane-activation catalyst

    International Nuclear Information System (INIS)

    Chen, J.G.; Weisel, M.D.; Hoffmann, F.M.; Hall, R.B.

    1992-01-01

    In an effort to understand the details concerning the alkali-promoted selectivity for the oxidative coupling of methane, the authors have carried out a detailed characterization of a model K/NiO/Ni(100) catalyst under well-controlled, ultrahigh vacuum conditions. The authors' systematic approach involved the following procedures: detailed investigation of the formation and structure of NiO on a clean Ni(100) surface; spectroscopic characterization of K-doped NiO by in situ deposition of potassium onto well-characterized NiO/Ni(100) substrate; and determination of the reactivities of NiO/Ni(100) and K/NiO/Ni(100) towards H 2 and CH 4 . In this paper, the authors will use the model K/NiO/Ni(100) system as an example to demonstrate that a detailed, complementary characterization of the model catalyst could best be achieved by using a combination of a variety of surface techniques: The methods of HREELS, LEED, XPS and AES could be applied to obtain properties on and near the surface regions; the technique of FYNES, being a photon-in/photon-out method could be utilized to investigate the bulk properties up to 2000 Angstrom below the surface; the method of FTIR using CO as a probing molecule is, on the other hand, sensitive only to the properties of the top-most surface layer. The result is to be presented in this paper will be mainly those obtained by using the two vibrational spectroscopies (HREELS and FTIR). Results from other surface techniques will also be discussed or presented when they provide additional information to the vibrational data

  7. Expression, purification and spectroscopic characterization of the Regulator complex

    Energy Technology Data Exchange (ETDEWEB)

    Nogueira, M.L.C.; Silva, A.L.S.; Camilotti, D.; Silva, C.A.; Sforca, M.L.; Smetana, J.H.C.; Zeri, A.C. [Laboratorio Nacional de Biociencias - LNBIO, Campinas, SP (Brazil); Ospina-Bedoya, M. [Universidad de Antioquia, Medellin (Colombia)

    2012-07-01

    Full text: The mammalian target of rapamycin (mTOR) signaling pathway integrates both intracellular and extracellular signals, serves as a central regulator of cell metabolism in humans and its deregulation is linked to diseases like cancer and diabetes. The small GTPases Rag are mediators of signaling by amino acid (leucine). These GT-Pases are anchored on the surface of the lysosome through an interaction with a complex of three proteins, p18, MP1 and p14, called Ragulator. The p18 protein is responsible for interaction with the lysosomal membrane through its N terminal post translational modification. The objective of this project is to study the interaction of p18 and other components of the Ragulator complex. The p18 protein was expressed in inclusion bodies, which were isolated and solubilized in urea. p18 was renatured with its partners MP1/p14 and this complex, the Ragulator, was subjected to spectroscopic characterization using circular dichroism and dynamic light scattering. (author)

  8. Expression, purification and spectroscopic characterization of the Regulator complex

    International Nuclear Information System (INIS)

    Nogueira, M.L.C.; Silva, A.L.S.; Camilotti, D.; Silva, C.A.; Sforca, M.L.; Smetana, J.H.C.; Zeri, A.C.; Ospina-Bedoya, M.

    2012-01-01

    Full text: The mammalian target of rapamycin (mTOR) signaling pathway integrates both intracellular and extracellular signals, serves as a central regulator of cell metabolism in humans and its deregulation is linked to diseases like cancer and diabetes. The small GTPases Rag are mediators of signaling by amino acid (leucine). These GT-Pases are anchored on the surface of the lysosome through an interaction with a complex of three proteins, p18, MP1 and p14, called Ragulator. The p18 protein is responsible for interaction with the lysosomal membrane through its N terminal post translational modification. The objective of this project is to study the interaction of p18 and other components of the Ragulator complex. The p18 protein was expressed in inclusion bodies, which were isolated and solubilized in urea. p18 was renatured with its partners MP1/p14 and this complex, the Ragulator, was subjected to spectroscopic characterization using circular dichroism and dynamic light scattering. (author)

  9. Adsorption and spectroscopic characterization of lactoferrin on hydroxyapatite nanocrystals.

    Science.gov (United States)

    Iafisco, Michele; Di Foggia, Michele; Bonora, Sergio; Prat, Maria; Roveri, Norberto

    2011-01-28

    Lactoferrin (LF), a well-characterized protein of blood plasma and milk with antioxidant, cariostatic, anticarcinogenic and anti-inflammatory properties, has been adsorbed onto biomimetic hydroxyapatite (HA) nanocrystals at two different pH values (7.4 and 9.0). The interaction was herein investigated by spectroscopic, thermal and microscopic techniques. The positive electrostatic surface potential of LF at pH 7.4 allows a strong surface interaction with the slightly negative HA nanocrystals and avoids the protein-protein interaction, leading to the formation of a coating protein monolayer. In contrast, at pH 9.0 the surface potential of LF is a mix of negative and positive zones favouring the protein-protein interaction and reducing the interaction with HA nanocrystals; as a result a double layer of coating protein was formed. These experimental findings are supported by the good fittings of the adsorption isotherms by different theoretical models according to Langmuir, Freundlich and Langmuir-Freundlich models. The nanosized HA does not appreciably affect the conformation of the adsorbed protein. In fact, using FT-Raman and FT-IR, we found that after adsorption the protein was only slightly unfolded with a small fraction of the α-helix structure being converted into turn, while the β-sheet content remained almost unchanged. The bioactive surface of HA functionalized with LF could be utilized to improve the material performance towards the biological environment for biomedical applications.

  10. Spectroscopic characterization of III-V semiconductor nanomaterials

    Science.gov (United States)

    Crankshaw, Shanna Marie

    through a novel spectroscopic technique first formulated for the rather different purpose of dispersion engineering for slow-light schemes. The frequency-resolved technique combined with the unusual (110) quantum wells in a furthermore atypical waveguide experimental geometry has revealed fascinating behavior of electron spin splitting which points to the possibility of optically orienting electron spins with linearly polarized light---an experimental result supporting a theoretical description of the phenomenon itself only a few years old. Lastly, to explore a space of further-restricted dimensionality, the final chapters describe InP semiconductor nanowires with dimensions small enough to be considered truly one-dimensional. Like the bulk GaAs of the first few chapters, the InP nanowires here crystallize in a wurtzite structure. In the InP nanowire case, though, the experimental techniques explored for characterization are temperature-dependent time-integrated photoluminescence at the single-wire level (including samples with InAsP insertions) and time-resolved photoluminescence at the ensemble level. The carrier dynamics revealed through these time-resolved studies are the first of their kind for wurtzite InP nanowires. The chapters are thus ordered as a progression from three (bulk), to two (quantum well), to one (nanowire), to zero dimensions (axially-structured nanowire), with the uniting theme the emphasis on connecting the semiconductor nanomaterials' crystallinity to its exhibited properties by relevant experimental spectroscopic techniques, whether these are standard methods or effectively invented for the case at hand.

  11. Expanded beam spectro-ellipsometry for big area on-line monitoring

    Science.gov (United States)

    Fried, M.; Major, C.; Juhasz, G.; Petrik, P.; Horvath, Z.

    2015-05-01

    Non-destructive analysing tools are needed at all stages of thin film process-development, especially photovoltaic (PV) development, and on production lines. In the case of thin films, layer thicknesses, micro-structure, composition, layer optical properties, and their uniformity are important parameters. An important focus is to express the dielectric functions of each component material in terms of a handful of wavelength independent parameters whose variation can cover all process variants of that material. With the resulting database, spectroscopic ellipsometry coupled with multilayer analysis can be developed for on-line point-by-point mapping and on-line line-by-line imaging. Off-line point-by-point mapping can be effective for characterization of non-uniformities in full scale PV panels or big area (even 450 mm diameter) Si-wafers in developing labs but it is slow in the on-line mode when only 15 points can be obtained (within 1 min) as a 120 cm long panel moves by the mapping station. Last years [M. Fried et al, Thin Solid Films 519, 2730 (2011)], a new instrumentation was developed that provides a line image of spectroscopic ellipsometry (wl=350- 1000 nm) data. Earlier a single 30 point line image could be collected in 10 s over a 15 cm width of PV material. Recent years we have built a 30, a 45 and a 60 cm width expanded beam ellipsometer which speed is increased by 10x. Now, 1800 points can be mapped in a 1 min traverse of a 60*120 cm PV panel or flexible roll-to-roll substrate.

  12. Ellipsometry of high temperature phase transition in PZT and (ZnLi)O films

    Czech Academy of Sciences Publication Activity Database

    Deyneka, Alexander; Suchanek, G.; Hubička, Zdeněk; Jastrabík, Lubomír; Gerlach, G.

    2004-01-01

    Roč. 298, - (2004), s. 55-60 ISSN 0015-0193 R&D Projects: GA AV ČR KJB1010301 Keywords : ferroelectric film * self-polarization * spectroscopic ellipsometry Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.517, year: 2004

  13. Development of biosensor based on imaging ellipsometry and biomedical applications

    Energy Technology Data Exchange (ETDEWEB)

    Jin, G., E-mail: gajin@imech.ac.c [NML, Institute of Mechanics, Chinese Academy of Sciences, 15 Bei-si-huan west Rd., Beijing 100190 (China); Meng, Y.H.; Liu, L.; Niu, Y.; Chen, S. [NML, Institute of Mechanics, Chinese Academy of Sciences, 15 Bei-si-huan west Rd., Beijing 100190 (China); Cai, Q.; Jiang, T.J. [Institute of Biophysics, Chinese Academy of Sciences, Beijing 100101 (China)

    2011-02-28

    So far, combined with a microfluidic reactor array system, an engineering system of biosensor based on imaging ellipsometry is installed for biomedical applications, such as antibody screen, hepatitis B markers detection, cancer markers spectrum and virus recognition, etc. Furthermore, the biosensor in total internal reflection (TIR) mode has be improved by a spectroscopic light, optimization settings of polarization and low noise CCD which brings an obvious improvement of 10 time increase in the sensitivity and SNR, and 50 times lower concentration in the detection limit with a throughput of 48 independent channels and the time resolution of 0.04 S.

  14. Spectroscopic characterization of manganese-doped alkaline earth

    Indian Academy of Sciences (India)

    The intensity and frequency variations for the characteristic phosphate group vibrations have been correlated with the changes of the structural units present in these glasses. Depolymerization of the phosphate chains in all the glasses is observed with replacement of alkaline earth content by spectroscopic studies.

  15. A user's guide to ellipsometry

    CERN Document Server

    Tompkins, Harland G

    1992-01-01

    This book is specifically designed for the user who wishes expanded use of ellipsometry beyond the relatively limited number of turn-key applications. The book provides a concise discussion of theory and instrumentation before describing how to use optical parameters to determine material properties and optical parameters for inaccessible substrates and unknown films, and how to measure extremely thin films. The book also addresses polysilicon, a material commonly used in the microelectronics industry, and the effect of substrate roughness. This book's concepts and applications are reinforced

  16. Spectral ellipsometry of nanodiamond composite

    International Nuclear Information System (INIS)

    Yastrebov, S.G.; Ivanov-Omskij, V.I.; Gordeev, S.K.; Garriga, M.; Alonso, I.A.

    2006-01-01

    Methods of spectral ellipsometry were applied for analysis of optical properties of nanodiamond based composite in spectral region 1.4-5 eV. The nanocomposite was synthesized by molding of ultradispersed nanodiamond powder in the course of heterogeneous chemical reaction of decomposition of methane, forming pyrocarbon interconnecting nanodiamond grains. The energy of σ + π plasmon of pyrocarbon component of nanodiamond composite was restored which proves to be ∼ 24 eV; using this value, an estimation was done of pyrocarbon matrix density, which occurs to be 2 g/cm 3 [ru

  17. Expanded beam (macro-imaging) ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Fried, M., E-mail: fried@mfa.kfki.h [Res. Inst. for Technical Physics and Materials Science (MFA), H-1525 Budapest, POB 49 (Hungary); Juhasz, G.; Major, C.; Petrik, P.; Polgar, O. [Res. Inst. for Technical Physics and Materials Science (MFA), H-1525 Budapest, POB 49 (Hungary); Horvath, Z. [Res. Inst. for Solid State Physics and Optics (SZFKI), H-1525 Budapest, POB 49 (Hungary); Nutsch, A. [Fraunhofer Institut fuer Integrierte Systeme und Bauelementetechnologie IISB, Schottkystr. 10, 91058 Erlangen (Germany)

    2011-02-28

    Our aim was to make possible to use spectroscopic ellipsometry for mapping purposes during one measuring cycle (minimum one rotation period of polarizer or analyzer) on many sample points. Our new technique uses non-collimated (non-parallel, mostly diffuse) illumination with an angle of incidence sensitive pinhole camera detector system and it works as an unusual kind of imaging ellipsometry. Adding multicolour supplemets, it provides spectral (a few wavelengths on a 2D image or a full spectrum along a line) information from rapid measurements of many points on a large (several dm2) area. This technique can be expanded by upscaling the geometry (upscaling the dimensions of the instrument, and characteristic imaging parameters such as focal lengths, distances, etc.). The lateral resolution is limited by the minimum resolved-angle determined by the detector system, mainly by the diameter of the pinhole. (The diameter of the pinhole is a compromise between the light intensity and the lateral resolution.) Small-aperture (25 mm diameter) polarizers are incorporated into both the polarization state generator (PSG) and polarization state detection (PSD) components of the instrument. The detection is almost without background because the pinhole serves as a filter against the scattered light. One rapid measuring cycle (less than 10 s) is enough to determine the polarization state at all the points inside the illuminated area. The collected data can be processed very fast (seconds) providing nearly real-time thicknesses and/or refractive index maps over many points of the sample surface even in the case of multilayer samples. The speed of the measuring system makes it suitable for using even on production lines. The necessary (in each sample-point different) angle-of-incidence and the mirror-effect calibration are made via well-known and optimized structures such as silicon/silicon-dioxide samples. The precision is suitable for detecting sub-nanometer thickness and a

  18. Expanded beam (macro-imaging) ellipsometry

    International Nuclear Information System (INIS)

    Fried, M.; Juhasz, G.; Major, C.; Petrik, P.; Polgar, O.; Horvath, Z.; Nutsch, A.

    2011-01-01

    Our aim was to make possible to use spectroscopic ellipsometry for mapping purposes during one measuring cycle (minimum one rotation period of polarizer or analyzer) on many sample points. Our new technique uses non-collimated (non-parallel, mostly diffuse) illumination with an angle of incidence sensitive pinhole camera detector system and it works as an unusual kind of imaging ellipsometry. Adding multicolour supplemets, it provides spectral (a few wavelengths on a 2D image or a full spectrum along a line) information from rapid measurements of many points on a large (several dm2) area. This technique can be expanded by upscaling the geometry (upscaling the dimensions of the instrument, and characteristic imaging parameters such as focal lengths, distances, etc.). The lateral resolution is limited by the minimum resolved-angle determined by the detector system, mainly by the diameter of the pinhole. (The diameter of the pinhole is a compromise between the light intensity and the lateral resolution.) Small-aperture (25 mm diameter) polarizers are incorporated into both the polarization state generator (PSG) and polarization state detection (PSD) components of the instrument. The detection is almost without background because the pinhole serves as a filter against the scattered light. One rapid measuring cycle (less than 10 s) is enough to determine the polarization state at all the points inside the illuminated area. The collected data can be processed very fast (seconds) providing nearly real-time thicknesses and/or refractive index maps over many points of the sample surface even in the case of multilayer samples. The speed of the measuring system makes it suitable for using even on production lines. The necessary (in each sample-point different) angle-of-incidence and the mirror-effect calibration are made via well-known and optimized structures such as silicon/silicon-dioxide samples. The precision is suitable for detecting sub-nanometer thickness and a

  19. Physicochemical and Spectroscopic Characterization of Biofield Treated Triphenyl Phosphate

    OpenAIRE

    Trivedi, Mahendra

    2015-01-01

    Triphenyl phosphate (TPP) is a triester of phosphoric acid and phenol. It is commonly used as a fire-retarding agent and plasticizer for nitrocellulose and cellulose acetate. The present study was an attempt to evaluate the impact of biofield treatment on physicochemical and spectroscopic properties of TPP. The study was carried out in two groups i.e. control and treatment. The treatment group was subjected to Mr. Trivedi's biofield treatment. The control and treated samples of TPP were chara...

  20. Spectroscopic characterization of the ethyl radical-water complex.

    Science.gov (United States)

    Lin, Chen; Finney, Brian A; Laufer, Allan H; Anglada, Josep M; Francisco, Joseph S

    2016-10-14

    An ab initio investigation has been employed to determine the structural and spectroscopic parameters, such as rotational constants, vibrational frequencies, vertical excitation energies, and the stability of the ethyl-water complex. The ethyl-water complex has a binding energy of 1.15 kcal⋅mol -1 . The interaction takes place between the hydrogen of water and the unpaired electron of the radical. This interaction is found to produce a red shift in the OH stretching bands of water of ca. 84 cm -1 , and a shift of all UV absorption bands to higher energies.

  1. Spectroscopic ellipsometry characterization of ZnO:Sn thin films with various Sn composition deposited by remote-plasma reactive sputtering

    Science.gov (United States)

    Janicek, Petr; Niang, Kham M.; Mistrik, Jan; Palka, Karel; Flewitt, Andrew J.

    2017-11-01

    ZnO:Sn thin films were deposited onto thermally oxidized silicon substrates using a remote plasma reactive sputtering. Their optical constants (refractive index n and extinction coefficient k) were determined from ellipsometric data recorded over a wide spectral range (0.05-6 eV). Parametrization of ZnO:Sn complex dielectric permittivity consists of a parameterized semiconductor oscillator function describing the short wavelength absorption edge, a Drude oscillator describing free carrier absorption in near-infrared part of spectra and a Lorentz oscillator describing the long wavelength absorption edge and intra-band absorption in the ultra-violet part of the spectra. Using a Mott-Davis model, the increase in local disorder with increasing Sn doping is quantified from the short wavelength absorption edge onset. Using the Wemple-DiDomenico single oscillator model for the transparent part of the optical constants spectra, an increase in the centroid distance of the valence and conduction bands with increasing Sn doping is shown and only slight increase in intensity of the inter-band optical transition due to Sn doping occurs. The Drude model applied in the near-infrared part of the spectra revealed the free carrier concentration and mobility of ZnO:Sn. Results show that the range of transparency of prepared ZnO:Sn layers is not dramatically affected by Sn doping whereas electrical conductivity could be controlled by Sn doping. Refractive index in the transparent part is comparable with amorphous Indium Gallium Zinc Oxide allowing utilization of prepared ZnO:Sn layers as an indium-free alternative.

  2. Spectroscopic characterization of Venus at the single molecule level.

    Science.gov (United States)

    David, Charlotte C; Dedecker, Peter; De Cremer, Gert; Verstraeten, Natalie; Kint, Cyrielle; Michiels, Jan; Hofkens, Johan

    2012-02-01

    Venus is a recently developed, fast maturating, yellow fluorescent protein that has been used as a probe for in vivo applications. In the present work the photophysical characteristics of Venus were analyzed spectroscopically at the bulk and single molecule level. Through time-resolved single molecule measurements we found that single molecules of Venus display pronounced fluctuations in fluorescence emission, with clear fluorescence on- and off-times. These fluorescence intermittencies were found to occupy a broad range of time scales, ranging from milliseconds to several seconds. Such long off-times can complicate the analysis of single molecule counting experiments or single-molecule FRET experiments. This journal is © The Royal Society of Chemistry and Owner Societies 2012

  3. SPECTROSCOPIC CHARACTERIZATION AND DETECTION OF ETHYL MERCAPTAN IN ORION

    International Nuclear Information System (INIS)

    Kolesniková, L.; Alonso, J. L.; Daly, A. M.; Tercero, B.; Cernicharo, J.; Gordon, B. P.; Shipman, S. T.

    2014-01-01

    New laboratory data of ethyl mercaptan, CH 3 CH 2 SH, in the millimeter- and submillimeter-wave domains (up to 880 GHz) provided very precise values of the spectroscopic constants that allowed the detection of gauche-CH 3 CH 2 SH toward Orion KL. This identification is supported by 77 unblended or slightly blended lines plus no missing transitions in the range 80-280 GHz. A detection of methyl mercaptan, CH 3 SH, in the spectral survey of Orion KL is reported as well. Our column density results indicate that methyl mercaptan is ≅ 5 times more abundant than ethyl mercaptan in the hot core of Orion KL

  4. SPECTROSCOPIC CHARACTERIZATION AND DETECTION OF ETHYL MERCAPTAN IN ORION

    Energy Technology Data Exchange (ETDEWEB)

    Kolesniková, L.; Alonso, J. L.; Daly, A. M. [Grupo de Espectroscopía Molecular (GEM), Edificio Quifima, Laboratorios de Espectroscopía y Bioespectroscopía, Parque Científico UVa, Unidad Asociada CSIC, Universidad de Valladolid, E-47011 Valladolid (Spain); Tercero, B.; Cernicharo, J. [Departamento de Astrofísica, Centro de Astrobiología CAB, CSIC-INTA, Ctra. de Torrejón a Ajalvir km 4, E-28850 Madrid (Spain); Gordon, B. P.; Shipman, S. T., E-mail: lucie.kolesnikova@uva.es, E-mail: jlalonso@qf.uva.es, E-mail: adammichael.daly@uva.es, E-mail: terceromb@cab.inta-csic.es, E-mail: jcernicharo@cab.inta-csic.es, E-mail: brittany.gordon@ncf.edu, E-mail: shipman@ncf.edu [Division of Natural Sciences, New College of Florida, Sarasota, FL 34243 (United States)

    2014-03-20

    New laboratory data of ethyl mercaptan, CH{sub 3}CH{sub 2}SH, in the millimeter- and submillimeter-wave domains (up to 880 GHz) provided very precise values of the spectroscopic constants that allowed the detection of gauche-CH{sub 3}CH{sub 2}SH toward Orion KL. This identification is supported by 77 unblended or slightly blended lines plus no missing transitions in the range 80-280 GHz. A detection of methyl mercaptan, CH{sub 3}SH, in the spectral survey of Orion KL is reported as well. Our column density results indicate that methyl mercaptan is ≅ 5 times more abundant than ethyl mercaptan in the hot core of Orion KL.

  5. Spectroscopic Characterization of GEO Satellites with Gunma LOW Resolution Spectrograph

    Science.gov (United States)

    Endo, T.; Ono, H.; Hosokawa, M.; Ando, T.; Takanezawa, T.; Hashimoto, O.

    The spectroscopic observation is potentially a powerful tool for understanding the Geostationary Earth Orbit (GEO) objects. We present here the results of an investigation of energy spectra of GEO satellites obtained from a groundbased optical telescope. The spectroscopic observations were made from April to June 2016 with the Gunma LOW resolution Spectrograph and imager (GLOWS) at the Gunma Astronomical Observatory (GAO) in JAPAN. The observation targets consist of eleven different satellites: two weather satellites, four communications satellites, and five broadcasting satellites. All the spectra of those GEO satellites are inferred to be solar-like. A number of well-known absorption features such as H-alpha, H-beta, Na-D,water vapor and oxygen molecules are clearly seen in thewavelength range of 4,000 - 8,000 Å. For comparison, we calculated the intensity ratio of the spectra of GEO satellites to that of the Moon which is the natural satellite of the earth. As a result, the following characteristics were obtained. 1) Some variations are seen in the strength of absorption features of water vapor and oxygen originated by the telluric atmosphere, but any other characteristic absorption features were not found. 2) For all observed satellites, the intensity ratio of the spectrum of GEO satellites decrease as a function of wavelength or to be flat. It means that the spectral reflectance of satellite materials is bluer than that of the Moon. 3) A characteristic dip at around 4,800 Å is found in all observed spectra of a weather satellite. Based on these observations, it is indicated that the characteristics of the spectrum are mainly derived from the solar panels because the apparent area of the solar cell is probably larger than that of the satellite body.

  6. Identification and Spectroscopic Characterization of Nonheme Iron(III) Hypochlorite Intermediates**

    Science.gov (United States)

    Draksharapu, Apparao; Angelone, Davide; Quesne, Matthew G; Padamati, Sandeep K; Gómez, Laura; Hage, Ronald; Costas, Miquel; Browne, Wesley R; de Visser, Sam P

    2015-01-01

    FeIII–hypohalite complexes have been implicated in a wide range of important enzyme-catalyzed halogenation reactions including the biosynthesis of natural products and antibiotics and post-translational modification of proteins. The absence of spectroscopic data on such species precludes their identification. Herein, we report the generation and spectroscopic characterization of nonheme FeIII–hypohalite intermediates of possible relevance to iron halogenases. We show that FeIII-OCl polypyridylamine complexes can be sufficiently stable at room temperature to be characterized by UV/Vis absorption, resonance Raman and EPR spectroscopies, and cryo-ESIMS. DFT methods rationalize the pathways to the formation of the FeIII-OCl, and ultimately FeIV=O, species and provide indirect evidence for a short-lived FeII-OCl intermediate. The species observed and the pathways involved offer insight into and, importantly, a spectroscopic database for the investigation of iron halogenases. PMID:25663379

  7. Spectroscopic characterization of D-003 obtained from the sugar cane (Saccharum officinarum L.) wax

    International Nuclear Information System (INIS)

    Marrero Delange, David; Cora Medina, Miriam; Laguna Granja, Abilio; Gonzalez Canavaciolo Victor L

    2013-01-01

    D-003, an active pharmaceutical ingredient (API) purified from sugar cane (Saccharum officinarum L.) wax with cholesterol-lowering and antioxidant effects, is composed of a mixture of free saturated very long chain fatty acids (VLCFAs), each within specific relative concentration ranges as determined by the gas chromatography (GC). However, the spectroscopic characterization of D-003 had not been previously reported

  8. Spectroscopic characterization of Simultaneous determination of Albendazol from the sugar cane (Saccharum officinarum L.) wax

    International Nuclear Information System (INIS)

    Marrero Delange, David; Cora Medina, Miriam; Laguna Granja, Abilio; Gonzalez Canavaciolo, Victor L

    2013-01-01

    D-003, an active pharmaceutical ingredient (API) purified from sugar cane (Saccharum officinarum L.) wax with cholesterol-lowering and antioxidant effects, is composed of a mixture of free saturated very long chain fatty acids (VLCFAs), each within specific relative concentration ranges as determined by the gas chromatography (GC). However, the spectroscopic characterization of D-003 had not been previously reported

  9. Far-infrared Spectroscopic Characterization of Anti-vinyl Alcohol

    Science.gov (United States)

    Bunn, Hayley; Soliday, Rebekah M.; Sumner, Isaiah; Raston, Paul L.

    2017-09-01

    We report a detailed analysis of the high-resolution far-infrared spectrum of anti-vinyl alcohol, which has been previously identified toward Sagittarius B2(N). The ν 15 OH torsional fundamental investigated here is more than 200 cm-1 removed from the next nearest vibration, making it practically unperturbed and ideal to help refine the ground state rotational constants that were previously determined from 25 microwave lines. We assigned 1335 lines within the ν 15 fundamental centered at 261.5512 cm-1, with J and K a ranges of 1-59 and 0-16, respectively. The microwave and far-infrared line positions were fit with Watson-type A- and S-reduced Hamiltonians, with the inclusion of quartic and select sextic distortion terms. This resulted in a significant refinement of the ground state constants, in addition to the determination of the {ν }15=1 state constants for the first time. The spectroscopic parameters are in good agreement with the results from anharmonic coupled-cluster calculations, and should be useful in searches for rotationally and/or vibrationally warm anti-vinyl alcohol in interstellar molecular clouds.

  10. Thermal, spectroscopic, and ab initio structural characterization of carprofen polymorphs.

    Science.gov (United States)

    Bruni, Giovanna; Gozzo, Fabia; Capsoni, Doretta; Bini, Marcella; Macchi, Piero; Simoncic, Petra; Berbenni, Vittorio; Milanese, Chiara; Girella, Alessandro; Ferrari, Stefania; Marini, Amedeo

    2011-06-01

    Commercial and recrystallized polycrystalline samples of carprofen, a nonsteroidal anti-inflammatory drug, were studied by thermal, spectroscopic, and structural techniques. Our investigations demonstrated that recrystallized sample, stable at room temperature (RT), is a single polymorphic form of carprofen (polymorph I) that undergoes an isostructural polymorphic transformation by heating (polymorph II). Polymorph II remains then metastable at ambient conditions. Commercial sample is instead a mixture of polymorphs I and II. The thermodynamic relationships between the two polymorphs were determined through the construction of an energy/temperature diagram. The ab initio structural determination performed on synchrotron X-Ray powder diffraction patterns recorded at RT on both polymorphs allowed us to elucidate, for the first time, their crystal structure. Both crystallize in the monoclinic space group type P2(1) /c, and the unit cell similarity index and the volumetric isostructurality index indicate that the temperature-induced polymorphic transformation I → II is isostructural. Polymorphs I and II are conformational polymorphs, sharing a very similar hydrogen bond network, but with different conformation of the propanoic skeleton, which produces two different packing. The small conformational change agrees with the low value of transition enthalpy obtained by differential scanning calorimetry measurements and the small internal energy computed with density functional methods. Copyright © 2011 Wiley-Liss, Inc.

  11. Synthesis, Spectroscopic and DFT Characterization of 4â-(4-tert ...

    African Journals Online (AJOL)

    In this work the synthesis, spectral characterization and non-linear optical properties of metal-free .... following literature methods23–26 The advantage of this method ..... Synthesis of phthalocyanine conjugates with gold nanoparticles and.

  12. Spectroscopic characterization of Ho3+ ion-doped fluoride glass

    International Nuclear Information System (INIS)

    Florez, A.; Oliveira, S.L.; Florez, M.; Gomez, L.A.; Nunes, L.A.O.

    2006-01-01

    Among the new optical materials available, fluoride glass, which has an extended transmission window, is emerging as an important material for use in optical fibers, lasers, sensors, etc. Here, we analyze the spectroscopic properties of Ho 3+ ions in a fluoroindate glass based on absorption measurements. Ho 3+ -doped fluoroindate glass with the composition (40 - x)InF 3 -20SrF 2 -20ZnF 2 -16BaF 2 -2GdF 3 -2NaF-xHoF 3 , x = 1.0, 2.0, 2.5, 3.0, 4.0, 5.0, 6.0, 8.0 and 9.0 mol%, was prepared under an argon atmosphere. Absorption spectra in the range 300-2200 nm were then obtained. The experimental oscillator strength f Exp. was calculated from the areas under absorption bands. Using Judd-Ofelt theory and least-squares fitting, the phenomenological intensity parameter Ω λ (λ = 2, 4, 6) and the theoretical oscillator strength f Cal. were calculated. To evaluate potential applications and to analyze the properties of Ho 3+ ions in these host glasses, the following spectroscopy parameters were calculated: the transition probability between multiplets A JJ' , the branching ratio β JJ' , the radiative lifetime τ R , the peak cross-section for stimulated emission σ p , and the emitting-level multiphonon rate W NR for each band. The results were compared with those reported in the literature for similar glasses of the same concentration

  13. Accurate spectroscopic characterization of protonated oxirane: a potential prebiotic species in Titan's atmosphere

    International Nuclear Information System (INIS)

    Giacomo Ciamician, Università di Bologna, Via Selmi 2, I-40126 Bologna (Italy))" data-affiliation=" (Dipartimento di Chimica Giacomo Ciamician, Università di Bologna, Via Selmi 2, I-40126 Bologna (Italy))" >Puzzarini, Cristina; Ali, Ashraf; Biczysko, Malgorzata; Barone, Vincenzo

    2014-01-01

    An accurate spectroscopic characterization of protonated oxirane has been carried out by means of state-of-the-art computational methods and approaches. The calculated spectroscopic parameters from our recent computational investigation of oxirane together with the corresponding experimental data available were used to assess the accuracy of our predicted rotational and IR spectra of protonated oxirane. We found an accuracy of about 10 cm –1 for vibrational transitions (fundamentals as well as overtones and combination bands) and, in relative terms, of 0.1% for rotational transitions. We are therefore confident that the spectroscopic data provided herein are a valuable support for the detection of protonated oxirane not only in Titan's atmosphere but also in the interstellar medium.

  14. Accurate spectroscopic characterization of protonated oxirane: a potential prebiotic species in Titan's atmosphere

    Energy Technology Data Exchange (ETDEWEB)

    Puzzarini, Cristina [Dipartimento di Chimica " Giacomo Ciamician," Università di Bologna, Via Selmi 2, I-40126 Bologna (Italy); Ali, Ashraf [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Biczysko, Malgorzata; Barone, Vincenzo, E-mail: cristina.puzzarini@unibo.it [Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56126 Pisa (Italy)

    2014-09-10

    An accurate spectroscopic characterization of protonated oxirane has been carried out by means of state-of-the-art computational methods and approaches. The calculated spectroscopic parameters from our recent computational investigation of oxirane together with the corresponding experimental data available were used to assess the accuracy of our predicted rotational and IR spectra of protonated oxirane. We found an accuracy of about 10 cm{sup –1} for vibrational transitions (fundamentals as well as overtones and combination bands) and, in relative terms, of 0.1% for rotational transitions. We are therefore confident that the spectroscopic data provided herein are a valuable support for the detection of protonated oxirane not only in Titan's atmosphere but also in the interstellar medium.

  15. Nuclear Magnetic Resonance (NMR) Spectroscopic Characterization of Nanomaterials and Biopolymers

    Science.gov (United States)

    Guo, Chengchen

    Nanomaterials have attracted considerable attention in recent research due to their wide applications in various fields such as material science, physical science, electrical engineering, and biomedical engineering. Researchers have developed many methods for synthesizing different types of nanostructures and have further applied them in various applications. However, in many cases, a molecular level understanding of nanoparticles and their associated surface chemistry is lacking investigation. Understanding the surface chemistry of nanomaterials is of great significance for obtaining a better understanding of the properties and functions of the nanomaterials. Nuclear magnetic resonance (NMR) spectroscopy can provide a familiar means of looking at the molecular structure of molecules bound to surfaces of nanomaterials as well as a method to determine the size of nanoparticles in solution. Here, a combination of NMR spectroscopic techniques including one- and two-dimensional NMR spectroscopies was used to investigate the surface chemistry and physical properties of some common nanomaterials, including for example, thiol-protected gold nanostructures and biomolecule-capped silica nanoparticles. Silk is a natural protein fiber that features unique properties such as excellent mechanical properties, biocompatibility, and non-linear optical properties. These appealing physical properties originate from the silk structure, and therefore, the structural analysis of silk is of great importance for revealing the mystery of these impressive properties and developing novel silk-based biomaterials as well. Here, solid-state NMR spectroscopy was used to elucidate the secondary structure of silk proteins in N. clavipes spider dragline silk and B. mori silkworm silk. It is found that the Gly-Gly-X (X=Leu, Tyr, Gln) motif in spider dragline silk is not in a beta-sheet or alpha-helix structure and is very likely to be present in a disordered structure with evidence for 31-helix

  16. Fourier–transform infrared spectroscopic characterization of natu ...

    Indian Academy of Sciences (India)

    We present here the characterization of the fulgurites by Fourier transform infrared (FTIR) absorption, X-ray diffraction and X-ray fluorescence methods. The amorphous nature of the substance has been confirmed by Fourier transform infrared spectra of the fulgurites, which exhibit prominent absorption band in the region ...

  17. Novel biosynthesis of Ag-hydroxyapatite: Structural and spectroscopic characterization

    Directory of Open Access Journals (Sweden)

    Álvaro de Jesús Ruíz-Baltazar

    2018-06-01

    Full Text Available Silver-doped hydroxyapatite (Ag-HAP was obtained by green synthesis route. The dopant silver nanoparticles (AgNPs were obtained by biosynthesis based on Melissa officinalis extract. This research is focused on the characterization and the use of the nontoxic and environment-friendly Ag-HAP nanocomposite. The structural and morphological characterization of Ag-HAP nanocomposite was carried out by scanning electron microscopy (SEM, X-ray diffraction, Fourier-transform infrared (FT-IR and Raman spectroscopy. The obtained nanoparticles exhibited a great interaction with the HAP matrix, performing an Ag-HAP nanocomposite. Changes in the structure of the Ag-HAP nanocomposite were corroborated by the different characterization techniques. Additionally, a homogeneous distribution of the AgNPs on the HAP structure was observed. The heterogeneous nucleation process employed to doping the HAP, offer a functional route to obtain a green composite with potentials applications in multiple fields, such as tissue engineering, bone repair as well as protein. These properties can be evaluated in subsequent studies. Keywords: Green synthesis, Ag nanoparticles, Hydroxyapatite, Structural characterization, Spectroscopy

  18. In situ spectroscopic characterization of a terahertz resonant cavity

    DEFF Research Database (Denmark)

    Reichel, Kimberly S.; Iwaszczuk, Krzysztof; Jepsen, Peter Uhd

    2014-01-01

    In many cases, the characterization of the frequency- dependent electric field profile inside a narrowband res- onator is challenging, either due to limited optical access or to the perturbative effects of invasive probes. An isolated groove inside a terahertz parallel-plate wave- guide provides ...

  19. Spectroscopic characterization of exoplanets : from LOUPE to SINFONI

    NARCIS (Netherlands)

    Hoeijmakers, H.J.

    2017-01-01

    Over the past years it has been discovered that the population of extra-solar planets is large and diverse. This fact feeds expectations for finding habitable Earth-like planets and potentially extra-terrestrial life. However without a reliable characterization, the fundamental nature of

  20. Novel biosynthesis of Ag-hydroxyapatite: Structural and spectroscopic characterization

    Science.gov (United States)

    Ruíz-Baltazar, Álvaro de Jesús; Reyes-López, Simón Yobanny; Silva-Holguin, Pamela Nair; Larrañaga, Daniel; Estévez, Miriam; Pérez, Ramiro

    2018-06-01

    Silver-doped hydroxyapatite (Ag-HAP) was obtained by green synthesis route. The dopant silver nanoparticles (AgNPs) were obtained by biosynthesis based on Melissa officinalis extract. This research is focused on the characterization and the use of the nontoxic and environment-friendly Ag-HAP nanocomposite. The structural and morphological characterization of Ag-HAP nanocomposite was carried out by scanning electron microscopy (SEM), X-ray diffraction, Fourier-transform infrared (FT-IR) and Raman spectroscopy. The obtained nanoparticles exhibited a great interaction with the HAP matrix, performing an Ag-HAP nanocomposite. Changes in the structure of the Ag-HAP nanocomposite were corroborated by the different characterization techniques. Additionally, a homogeneous distribution of the AgNPs on the HAP structure was observed. The heterogeneous nucleation process employed to doping the HAP, offer a functional route to obtain a green composite with potentials applications in multiple fields, such as tissue engineering, bone repair as well as protein. These properties can be evaluated in subsequent studies.

  1. Electrical and spectroscopic characterization of a surgical argon plasma discharge

    International Nuclear Information System (INIS)

    Keller, Sandra; Neugebauer, Alexander; Bibinov, Nikita; Awakowicz, Peter

    2013-01-01

    For electrosurgical procedures, the argon plasma coagulation (APC) discharge is a well-established atmospheric-pressure plasma tool for thermal haemostasis and devitalization of biological tissue. To characterize this plasma source, voltage-current measurements, microphotography, optical emission spectroscopy and numerical simulation are applied. Two discharge modes are established during the operation of the APC plasma source. A short transient spark discharge is ignited within the positive half period of the applied high voltage after a streamer channel connects the APC probe and the counter-electrode. During the second phase, which continues under negative high voltage, a glow discharge is stabilized in the plasma channel.

  2. Moessbauer spectroscopic characterization of macromolecule-metallochlorophyll complexes

    International Nuclear Information System (INIS)

    Inoue, H.; Fukuda, K.; Nonomura, Y.; Fluck, E.

    1993-01-01

    The bis-adducts of iron chlorophylls with poly(4-vinylpyridine-costyrene) (PVP) have been prepared and characterized by 57 Fe Moessbauer spectroscopy. The Moessbauer parameters of the PVP-adducts of iron chlorophylls are typical of low-spin iron(II) complexes. The central iron(III) ion is spontaneously reduced upon the axial coordination of PVP to iron(III) chlorophylls. The general tendency in the spontaneous reduction of the iron(III) chlorophylls has been interpreted in terms of the σ-donor and π-acceptor power of the axial macromolecular ligand. (orig.)

  3. Raman spectroscopic characterization of multiwall carbon nanotubes and of composites

    Directory of Open Access Journals (Sweden)

    L. Bokobza

    2012-07-01

    Full Text Available In this work Raman spectroscopy was used for extensive characterization of multiwall carbon nanotube (MWNTs and of MWCNTs/rubber composites. We have measured the Raman spectra of bundled and dispersed multiwall carbon nanotubes. All the Raman bands of the carbon nanotubes are seen to shift to higher wavenumbers upon debundling on account of less intertube interactions. Effects of laser irradiation were also investigated. Strong effects are observed by changing the wavelength of the laser excitation. On the other hand, at a given excitation wavelength, changes on the Raman bands are observed by changing the laser power density due to sample heating during the measurement procedure.

  4. Sub-THz spectroscopic characterization of vibrational modes in artificially designed DNA monocrystal

    International Nuclear Information System (INIS)

    Sizov, Igor; Rahman, Masudur; Gelmont, Boris; Norton, Michael L.; Globus, Tatiana

    2013-01-01

    Highlights: • Sub-THz spectroscopy is used to characterize artificially designed DNA monocrystal. • Results are obtained using a novel near field, RT, frequency domain spectrometer. • Narrow resonances of 0.1 cm −1 width in absorption spectra of crystal are observed. • Signature measured between 310 and 490 GHz is reproducible and well resolved. • Absorption pattern is explained in part by simulation results from dsDNA fragment. - Abstract: Sub-terahertz (sub-THz) vibrational spectroscopy is a new spectroscopic branch for characterizing biological macromolecules. In this work, highly resolved sub-THz resonance spectroscopy is used for characterizing engineered molecular structures, an artificially designed DNA monocrystal, built from a short DNA sequence. Using a recently developed frequency domain spectroscopic instrument operating at room temperature with high spectral and spatial resolution, we demonstrated very intense and specific spectral lines from a DNA crystal in general agreement with a computational molecular dynamics (MD) simulation of a short double stranded DNA fragment. The spectroscopic signature measured in the frequency range between 310 and 490 GHz is rich in well resolved and reproducible spectral features thus demonstrating the capability of THz resonance spectroscopy to be used for characterizing custom macromolecules and structures designed and implemented via nanotechnology for a wide variety of application domains. Analysis of MD simulation indicates that intense and narrow vibrational modes with atomic movements perpendicular (transverse) and parallel (longitudinal) to the long DNA axis coexist in dsDNA, with much higher contribution from longitudinal vibrations

  5. Synthesis and Spectroscopic Characterization of Two Tetrasubstituted Cationic Porphyrin Derivatives

    Directory of Open Access Journals (Sweden)

    Newton M. Barbosa Neto

    2011-07-01

    Full Text Available An imidazolium tetrasubstituted cationic porphyrin derivative (the free base and its Zn(II complex with five-membered heterocyclic groups in the meso-positions were synthesized using microwave irradiation, and the compounds obtained characterized by 1H-NMR and mass spectrometry. We observed that under microwave irradiation the yield is similar to when the synthesis is performed under conventional heating, however, the time required to prepare the porphyrins decreases enormously. In order to investigate the electronic state of these compounds, we employed UV-Vis and fluorescence spectroscopy combined with quantum chemical calculations. The results reveal the presence, in both compounds, of a large number of electronic states involving the association between the Soret and a blue-shifted band. The Soret band in both compounds also shows a considerable solvent dependence. As for emission, these compounds present low quantum yield at room temperature and no solvent influence on the fluorescence spectra was observed.

  6. X-Ray Photoelectron Spectroscopic Characterization of Iron Oxide Nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Radu, T., E-mail: Teodora.Radu@itim-cj.ro [National Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donat Street, 400293, Cluj Napoca (Romania); Iacovita, C. [Department of Pharmaceutical Physics-Biophysics, Faculty of Pharmacy, “Iuliu Hatieganu” University of Medicine and Pharmacy, 400349, Cluj-Napoca (Romania); Benea, D. [Faculty of Physics, Babes Bolyai University, 400271, Cluj-Napoca (Romania); Turcu, R. [National Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donat Street, 400293, Cluj Napoca (Romania)

    2017-05-31

    Highlights: • Characterization of three types of iron oxides magnetic nanoparticles. • A correlation between valence band XPS and the degree of iron oxidation is proposed. • Theoretical contributions of Fe in tetragonal and octahedral environment are shown. - Abstract: We report X-ray photoelectron spectroscopy (XPS) results on iron oxide magnetic nanoparticle (Fe{sub 3}O{sub 4}) synthesized using solvothermal reduction in the presence of polyethylene glycol. The magnetite obtained was employed as precursor for the synthesis of γ-Fe{sub 2}O{sub 3} (by oxygen dissociation) which in turn was transformed into α-Fe{sub 2}O{sub 3}. We confirmed the magnetite, maghemite and hematite structure by Fourier Transformed Spectroscopy (FTIR) and X-ray diffraction (XRD). The analysis of the XPS core level and valence band (VB) photoemission spectra for all investigated samples is discussed in terms of the degree of iron oxidation. This is of fundamental importance to better understand the electronic structure of the obtained iron oxide nanoparticles in order to control and improve their quality for specific biomedical applications. Moreover, theoretical band structure calculations are performed for magnetite and the separate contributions of Fe in tetragonal and octahedral environment are shown.

  7. New trends in ellipsometry for thin film diagnostics

    International Nuclear Information System (INIS)

    Masetti, E.

    1987-01-01

    Ellipsometric technique is both instrumentation and method for surface characterization through light polarization change measurements. After the improvement of the technique due to electrooptical components (light polarization modulator) and personal computer, ellipsometry today is getting new interest in optical thin film diagnostics because of automatized ellipsometer availability. The realization of a new instrument for light polarization measurement, the FDP (Four Detector Photopolarimeter), will allow the production of ellipsometers with improved characteristics and low cost. A survey on ellipsometric technique trend and preliminary data on the first realized FDP are reported

  8. Characterization of cytochrome c as marker for retinal cell degeneration by uv/vis spectroscopic imaging

    Science.gov (United States)

    Hollmach, Julia; Schweizer, Julia; Steiner, Gerald; Knels, Lilla; Funk, Richard H. W.; Thalheim, Silko; Koch, Edmund

    2011-07-01

    Retinal diseases like age-related macular degeneration have become an important cause of visual loss depending on increasing life expectancy and lifestyle habits. Due to the fact that no satisfying treatment exists, early diagnosis and prevention are the only possibilities to stop the degeneration. The protein cytochrome c (cyt c) is a suitable marker for degeneration processes and apoptosis because it is a part of the respiratory chain and involved in the apoptotic pathway. The determination of the local distribution and oxidative state of cyt c in living cells allows the characterization of cell degeneration processes. Since cyt c exhibits characteristic absorption bands between 400 and 650 nm wavelength, uv/vis in situ spectroscopic imaging was used for its characterization in retinal ganglion cells. The large amount of data, consisting of spatial and spectral information, was processed by multivariate data analysis. The challenge consists in the identification of the molecular information of cyt c. Baseline correction, principle component analysis (PCA) and cluster analysis (CA) were performed in order to identify cyt c within the spectral dataset. The combination of PCA and CA reveals cyt c and its oxidative state. The results demonstrate that uv/vis spectroscopic imaging in conjunction with sophisticated multivariate methods is a suitable tool to characterize cyt c under in situ conditions.

  9. Spectroscopic and thermal characterization of carbon nanotubes functionalized through diazonium salt reduction

    International Nuclear Information System (INIS)

    Pandurangappa, Malingappa; Ramakrishnappa, Thippeswamy

    2010-01-01

    Chemical reduction of anthraquinone diazonium chloride (Fast Red AL salt) in presence of hypophosphorous acid and carbon nanotubes results in anthraquinonyl functionalized carbon nanotubes. The surface functionalized moieties have been examined electrochemically by immobilizing them onto the surface of basal plane pyrolytic graphite electrode and studying its voltammetric behaviour. The effect of pH, and scan rate has revealed that the modified species are confined on the electrode surface. The spectroscopic characterization of the modified single walled carbon nanotubes using Fourier transform infrared spectroscopy, X-ray photoemission spectroscopy, thermogravimetric analysis and transmission electron microscopy have revealed that the modifier molecules are covalently bonded on the surface of carbon nanotubes.

  10. Spectroscopic and thermal characterization of carbon nanotubes functionalized through diazonium salt reduction

    Energy Technology Data Exchange (ETDEWEB)

    Pandurangappa, Malingappa, E-mail: mprangachem@gmail.com [Department of Chemistry, Bangalore University, Central College Campus, Dr Ambedkar Veedhi, Bangalore 560 001 (India); Ramakrishnappa, Thippeswamy [Department of Chemistry, Bangalore University, Central College Campus, Dr Ambedkar Veedhi, Bangalore 560 001 (India)

    2010-08-01

    Chemical reduction of anthraquinone diazonium chloride (Fast Red AL salt) in presence of hypophosphorous acid and carbon nanotubes results in anthraquinonyl functionalized carbon nanotubes. The surface functionalized moieties have been examined electrochemically by immobilizing them onto the surface of basal plane pyrolytic graphite electrode and studying its voltammetric behaviour. The effect of pH, and scan rate has revealed that the modified species are confined on the electrode surface. The spectroscopic characterization of the modified single walled carbon nanotubes using Fourier transform infrared spectroscopy, X-ray photoemission spectroscopy, thermogravimetric analysis and transmission electron microscopy have revealed that the modifier molecules are covalently bonded on the surface of carbon nanotubes.

  11. Spectroscopic characterization of schiff base-copper complexes immobilized in smectite clays

    Directory of Open Access Journals (Sweden)

    Patrícia M. Dias

    2010-01-01

    Full Text Available Herein, the immobilization of some Schiff base-copper(II complexes in smectite clays is described as a strategy for the heterogenization of homogeneous catalysts. The obtained materials were characterized by spectroscopic techniques, mostly UV/Vis, EPR, XANES and luminescence spectroscopy. SWy-2 and synthetic Laponite clays were used for the immobilization of two different complexes that have previously shown catalytic activity in the dismutation of superoxide radicals, and disproportionation of hydrogen peroxide. The obtained results indicated the occurrence of an intriguing intramolecular redox process involving copper and the imine ligand at the surface of the clays. These studies are supported by computational calculations.

  12. Sensing of Streptococcus mutans by microscopic imaging ellipsometry

    Science.gov (United States)

    Khaleel, Mai Ibrahim; Chen, Yu-Da; Chien, Ching-Hang; Chang, Yia-Chung

    2017-05-01

    Microscopic imaging ellipsometry is an optical technique that uses an objective and sensing procedure to measure the ellipsometric parameters Ψ and Δ in the form of microscopic maps. This technique is well known for being noninvasive and label-free. Therefore, it can be used to detect and characterize biological species without any impact. Microscopic imaging ellipsometry was used to measure the optical response of dried Streptococcus mutans cells on a glass substrate. The ellipsometric Ψ and Δ maps were obtained with the Optrel Multiskop system for specular reflection in the visible range (λ=450 to 750 nm). The Ψ and Δ images at 500, 600, and 700 nm were analyzed using three different theoretical models with single-bounce, two-bounce, and multibounce light paths to obtain the optical constants and height distribution. The obtained images of the optical constants show different aspects when comparing the single-bounce analysis with the two-bounce or multibounce analysis in detecting S. mutans samples. Furthermore, the height distributions estimated by two-bounce and multibounce analyses of S. mutans samples were in agreement with the thickness values measured by AFM, which implies that the two-bounce and multibounce analyses can provide information complementary to that obtained by a single-bounce light path.

  13. The intertwined history of polarimetry and ellipsometry

    International Nuclear Information System (INIS)

    Azzam, R.M.A.

    2011-01-01

    Ellipsometry and reflection polarimetry are almost synonymous. Therefore it is not surprising that ellipsometry and polarimetry share a common history which is that of optical polarization. The discoveries in the late 1600s by Bartholinus and Huyghens of double refraction by Iceland spar and the unusual properties of the twin beams thus generated presented insurmountable difficulties for the entrenched corpuscular-ray theory of Newton and caused research on polarization to remain stagnant in the 1700s. Major breakthroughs came in the early 1800s when Malus discovered polarization of light by reflection and his cosine-squared law and Fresnel and Arago enunciated their laws of interference of polarized light that helped establish the transverse vector nature of luminous vibrations. Important further research immediately followed on optical rotatory power by Arago, Biot, and Pasteur that ushered fundamental and practical applications of polarimetry in chemistry and biology. Fresnel deserves to be recognized as a founder of ellipsometry by virtue of his laws of reflection of polarized light at interfaces between dissimilar media and his identification and production of circular and elliptical polarization. The later part of the 19th century witnessed significant discoveries of magneto-optic and electro-optic effects by Faraday, Kerr, and Pockels that greatly enriched polarization optics and physics. The 1896 discovery of the Zeeman effect launched the exciting field of solar polarimetry. The 1864 crown achievement of Maxwell's electromagnetic (EM) theory provided a unified framework for the analysis of polarization phenomena across the entire EM spectrum.

  14. Yb3+:Sr5(VO4)3F: Crystal growth, spectroscopic characterization and laser development

    International Nuclear Information System (INIS)

    Bustamante, Andrea Nora Pino

    1999-01-01

    Crystal growth, spectroscopic characterization and laser development of Yb 3+ :SVAP [Sr 5 (VO 4 ) 3 F] was performed to demonstrate for the first time, operation of tunable laser emission centered at 1120 nm. Initially, SVAP crystals were grown with high dopant concentrations, up to 6.0 mol % of Yb 2 O 3 in the melt, in order to investigate the material for potential laser operation at a new laser wavelength. Additional research was performed to alleviate highly doped SVAP crystals of defects previously observed. Basic spectroscopic characterization including absorption and luminescent properties were measured to better understand the behavior of Yb 3+ ions in SVAP. Based upon these studies, discussion of the 1120 nm laser transition is presented as it arises from a ground state vibrational level. Investigations of the charge compensation process and the optical parameters as a function of dopant concentration are also presented. The laser development of Yb 3+ :SVAP included continuous and pulsed modes of operation of the 1044 nm and 1120 nm transitions. Initial laser action of the 1044 nm transition was achieved using a Yi: Saphire laser pump source in order to compare with previously results. Further development of a diode-pumped Yb 3+ :SVAP laser system demonstrated continuously tunable laser operation from 1103 nm for the first time. The laser investigations also proved that this high gain media does provide continuous wave laser action at 1044 nm and 1120 simultaneously without significant gain depletion. (author)

  15. Ellipsometry of anodic film growth

    Energy Technology Data Exchange (ETDEWEB)

    Smith, C.G.

    1978-08-01

    An automated computer interpretation of ellisometer measurements of anodic film growth was developed. Continuous mass and charge balances were used to utilize more fully the time dependence of the ellipsometer data and the current and potential measurements. A multiple-film model was used to characterize the growth of films which proceeds via a dissolution--precipitation mechanism; the model also applies to film growth by adsorption and nucleation mechanisms. The characteristic parameters for film growth describe homogeneous and heterogeneous crystallization rates, film porosities and degree of hydration, and the supersaturation of ionic species in the electrolyte. Additional descriptions which may be chosen are patchwise film formation, nonstoichiometry of the anodic film, and statistical variations in the size and orientation of secondary crystals. Theories were developed to describe the optical effects of these processes. An automatic, self-compensating ellipsometer was used to study the growth in alkaline solution of anodic films on silver, cadmium, and zinc. Mass-transport conditions included stagnant electrolyte and forced convection in a flow channel. Multiple films were needed to characterize the optical properties of these films. Anodic films grew from an electrolyte supersatuated in the solution-phase dissolution product. The degree of supersaturation depended on transport conditions and had a major effect on the structure of the film. Anodic reaction rates were limited by the transport of charge carriers through a primary surface layer. The primary layers on silver, zinc, and cadmium all appeared to be nonstoichiometric, containing excess metal. Diffusion coefficients, transference numbers, and the free energy of adsorption of zinc oxide were derived from ellipsometer measurements. 97 figures, 13 tables, 198 references.

  16. Spectroscopic detection, characterization and dynamics of free radicals relevant to combustion processes

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Terry [The Ohio State Univ., Columbus, OH (United States)

    2015-06-04

    Combustion chemistry is enormously complex. The chemical mechanisms involve a multitude of elementary reaction steps and a comparable number of reactive intermediates, many of which are free radicals. Computer simulations based upon these mechanisms are limited by the validity of the mechanisms and the parameters characterizing the properties of the intermediates and their reactivity. Spectroscopy can provide data for sensitive and selective diagnostics to follow their reactions. Spectroscopic analysis also provides detailed parameters characterizing the properties of these intermediates. These parameters serve as experimental gold standards to benchmark predictions of these properties from large-scale, electronic structure calculations. This work has demonstrated the unique capabilities of near-infrared cavity ringdown spectroscopy (NIR CRDS) to identify, characterize and monitor intermediates of key importance in complex chemical reactions. Our studies have focussed on the large family of organic peroxy radicals which are arguably themost important intermediates in combustion chemistry and many other reactions involving the oxidation of organic compounds. Our spectroscopic studies have shown that the NIR Ã - ˜X electronic spectra of the peroxy radicals allows one to differentiate among chemical species in the organic peroxy family and also determine their isomeric and conformic structure in many cases. We have clearly demonstrated this capability on saturated and unsaturated peroxy radicals and β-hydroxy peroxy radicals. In addition we have developed a unique dual wavelength CRDS apparatus specifically for the purpose of measuring absolute absorption cross section and following the reaction of chemical intermediates. The utility of the apparatus has been demonstrated by measuring the cross-section and self-reaction rate constant for ethyl peroxy.

  17. Absorption and emission spectroscopic characterization of 10-phenyl-isoalloxazine derivatives

    International Nuclear Information System (INIS)

    Shirdel, J.; Penzkofer, A.; Prochazka, R.; Daub, J.; Hochmuth, E.; Deutzmann, R.

    2006-01-01

    The flavoquinone dyes 10-phenyl-isoalloxazine-3-acetic acid ethyl ester (1) and 10-(4-bromo-phenyl)-3-methyl-isoalloxazine (2) in dichloromethane, acetonitrile, and methanol are characterized by absorption and emission spectroscopy. Absorption cross-section spectra, stimulated emission cross-section spectra, fluorescence quantum distributions, quantum yields, lifetimes, and degrees of fluorescence polarization are determined. The blue-light photo-degradation of the dyes is studied. Mass spectroscopic measurements reveal the formation of phenyl-benzo-pteridine (isoalloxazine) derivatives, tetraaza-benzo-aceanthrylene derivatives, dihydro-quinooxaline derivatives, and pyrazino-carbazole derivatives. An enhancement of photo-degradation is observed by the formed photo-fragments

  18. Zinc acetylacetonate hydrate adducted with nitrogen donor ligands: Synthesis, spectroscopic characterization, and thermal analysis

    Science.gov (United States)

    Brahma, Sanjaya; Shivashankar, S. A.

    2015-12-01

    We report synthesis, spectroscopic characterization, and thermal analysis of zinc acetylacetonate complex adducted by nitrogen donor ligands, such as pyridine, bipyridine, and phenanthroline. The pyridine adducted complex crystallizes to monoclinic crystal structure, whereas other two adducted complexes have orthorhombic structure. Addition of nitrogen donor ligands enhances the thermal property of these complexes as that with parent metal-organic complex. Zinc acetylacetonate adducted with pyridine shows much higher volatility (106 °C), decomposition temperature (202 °C) as that with zinc acetylacetonate (136 °C, 220 °C), and other adducted complexes. All the adducted complexes are thermally stable, highly volatile and are considered to be suitable precursors for metal organic chemical vapor deposition. The formation of these complexes is confirmed by powder X-ray diffraction, Fourier transform infrared spectroscopy, mass spectroscopy, and elemental analysis. The complexes are widely used as starting precursor materials for the synthesis of ZnO nanostructures by microwave irradiation assisted coating process.

  19. Biodegradable starch-based films containing saturated fatty acids: thermal, infrared and raman spectroscopic characterization

    Directory of Open Access Journals (Sweden)

    Marcelo M. Nobrega

    Full Text Available Biodegradable films of thermoplastic starch and poly (butylene adipate co-terephthalate (PBAT containing fatty acids were characterized thermally and with infrared and Raman spectroscopies. The symmetrical character of the benzene ring in PBAT provided a means to illustrate the difference between these spectroscopic techniques, because a band appeared in the Raman spectrum but not in the infrared. The thermal analysis showed three degradation stages related to fatty acids, starch and PBAT. The incorporation of saturated fatty acids with different molecular mass (caproic, lauric and stearic did not change the nature of the chemical bonds among the components in the blends of starch, PBAT and glycerol, according to the thermal analysis, infrared and Raman spectroscopies.

  20. Spectroscopic characterization of galaxy clusters in RCS-1: spectroscopic confirmation, redshift accuracy, and dynamical mass-richness relation

    Science.gov (United States)

    Gilbank, David G.; Barrientos, L. Felipe; Ellingson, Erica; Blindert, Kris; Yee, H. K. C.; Anguita, T.; Gladders, M. D.; Hall, P. B.; Hertling, G.; Infante, L.; Yan, R.; Carrasco, M.; Garcia-Vergara, Cristina; Dawson, K. S.; Lidman, C.; Morokuma, T.

    2018-05-01

    We present follow-up spectroscopic observations of galaxy clusters from the first Red-sequence Cluster Survey (RCS-1). This work focuses on two samples, a lower redshift sample of ˜30 clusters ranging in redshift from z ˜ 0.2-0.6 observed with multiobject spectroscopy (MOS) on 4-6.5-m class telescopes and a z ˜ 1 sample of ˜10 clusters 8-m class telescope observations. We examine the detection efficiency and redshift accuracy of the now widely used red-sequence technique for selecting clusters via overdensities of red-sequence galaxies. Using both these data and extended samples including previously published RCS-1 spectroscopy and spectroscopic redshifts from SDSS, we find that the red-sequence redshift using simple two-filter cluster photometric redshifts is accurate to σz ≈ 0.035(1 + z) in RCS-1. This accuracy can potentially be improved with better survey photometric calibration. For the lower redshift sample, ˜5 per cent of clusters show some (minor) contamination from secondary systems with the same red-sequence intruding into the measurement aperture of the original cluster. At z ˜ 1, the rate rises to ˜20 per cent. Approximately ten per cent of projections are expected to be serious, where the two components contribute significant numbers of their red-sequence galaxies to another cluster. Finally, we present a preliminary study of the mass-richness calibration using velocity dispersions to probe the dynamical masses of the clusters. We find a relation broadly consistent with that seen in the local universe from the WINGS sample at z ˜ 0.05.

  1. Spectroscopic characterization of the on-surface induced (cyclo) dehydrogenation of a N-heteroaromatic compound on noble metal surfaces

    Czech Academy of Sciences Publication Activity Database

    Palacio, I.; Pinardi, A. L.; Martínez, J. I.; Preobrajenski, A.; Cossaro, A.; Jančařík, Andrej; Stará, Irena G.; Starý, Ivo; Méndez, J.; Martín-Gago, J.A.; López, M.F.

    2017-01-01

    Roč. 19, č. 33 (2017), s. 22454-22461 ISSN 1463-9076 Institutional support: RVO:61388963 Keywords : dibenzohelicene * on-surface (cyclo)dehydrogenation * spectroscopic characterization Subject RIV: CC - Organic Chemistry OBOR OECD: Organic chemistry Impact factor: 4.123, year: 2016

  2. Gas detection by means of surface plasmon resonance enhanced ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Nooke, Alida

    2012-11-01

    This thesis investigated gas sensing by means of surface plasmon resonance enhanced ellipsometry. Surface plasmons were excited in a 40 - 50 nm gold layer by a He-Ne-laser using the Kretschmann configuration, which was arranged on a self-made copper measuring cell. A fixed angle of incidence and the ellipsometric parameter {Delta} as the measured value were used to monitor changes in the gas phase. Different types of gases were investigated: flammable (hydrocarbons and hydrogen), oxidising (oxygen and ozone), toxic (carbon monoxide) and inert (helium and nitrogen). The gas types can be distinguished by their refractive indices, whereas the sensor responds instantly relative to the reference gas with an increase or a decrease in {Delta}. Diluting the analyte gas with a reference gas (nitrogen or air) allowed the detection limits to be determined, these lay in the low % range. The sensor stability was also enhanced as well as the sensitivity by modifying the gold layers with a 3-10 nm additional layer. These additional layers consisted of the inorganic materials TiO{sub 2}, ZrO{sub 2}, MgF{sub 2} and Fe: SnO{sub 2} which were deposited by different coating processes. Surface investigations were made of every utilised layer: scanning electron microscope and atomic force microscope measurements for surface topology and spectroscopic ellipsometry mapping to determine the optical constants and the layer thicknesses. All applied materials protected the gold layer from contaminations and thus prolonged the life span of the sensor. Furthermore, the detection limits were reduced significantly, to the low ppm range. The material Fe: SnO{sub 2} demonstrates a special behaviour in reaction with the toxic gas carbon monoxide: Due to the iron doping, the response to carbon monoxide is extraordinary and concentrations below 1 ppm were detected. In order to approach a future application in industry, the sensor system was adapted to a stainless steel tube. With this measuring

  3. Combined ellipsometry and refractometry technique for characterisation of liquid crystal based nanocomposites.

    Science.gov (United States)

    Warenghem, Marc; Henninot, Jean François; Blach, Jean François; Buchnev, Oleksandr; Kaczmarek, Malgosia; Stchakovsky, Michel

    2012-03-01

    Spectroscopic ellipsometry is a technique especially well suited to measure the effective optical properties of a composite material. However, as the sample is optically thick and anisotropic, this technique loses its accuracy for two reasons: anisotropy means that two parameters have to be determined (ordinary and extraordinary indices) and optically thick means a large order of interference. In that case, several dielectric functions can emerge out of the fitting procedure with a similar mean square error and no criterion to discriminate the right solution. In this paper, we develop a methodology to overcome that drawback. It combines ellipsometry with refractometry. The same sample is used in a total internal reflection (TIR) setup and in a spectroscopic ellipsometer. The number of parameters to be determined by the fitting procedure is reduced in analysing two spectra, the correct final solution is found by using the TIR results both as initial values for the parameters and as check for the final dielectric function. A prefitting routine is developed to enter the right initial values in the fitting procedure and so to approach the right solution. As an example, this methodology is used to analyse the optical properties of BaTiO(3) nanoparticles embedded in a nematic liquid crystal. Such a methodology can also be used to analyse experimentally the validity of the mixing laws, since ellipsometry gives the effective dielectric function and thus, can be compared to the dielectric function of the components of the mixture, as it is shown on the example of BaTiO(3)/nematic composite.

  4. Spectroscopic Characterization of Key Aromatic Molecules: A Route toward The Origin of Life.

    Science.gov (United States)

    Puzzarini, Cristina; Baiardi, Alberto; Bloino, Julien; Barone, Vincenzo; Murphy, Thomas E; Drew, Dennis; Ali, Ashraf

    2017-08-04

    To gain information on the abiotic synthesis of the building blocks of life from simple molecules, and their subsequent chemical evolution to biological systems, the starting point is the identification of target species in Titan-like planets, i.e., planets that resemble the primitive Earth, as well as in Earth-like planets in the habitable zone of their star, namely planets where life can be already originated. In this scenario, molecular spectroscopy plays a crucial role because spectroscopic signatures are at the basis of an unequivocal proof for the presence of these target molecules. Thanks to the advances in many different techniques and to the NASA successful Kepler exoplanet transit mission, thousands of diverse planets outside of our solar system have been discovered. The James Webb Space Telescope (JWST), scheduled to be launched in 2018, will be very helpful in the identification of biosignature gases in Earth-like planets' atmospheres and of prebiotic molecule signatures in Titan-like atmospheres by observing their absorption during transits. While the search for key-target molecules in exoplanet atmospheres can be carried out by the JWST Transit Spectroscopy in the infrared (IR) region (0.6 - 29 µm wavelength range), opportunities for their detection in protostellar cores, protoplanetary disks and on Titan are also offered by the interferometric high spectral and spatial resolution observations using the Atacama Large Millimeter/submillimeter Array (ALMA). In the present work, target molecules have been selected and their spectroscopic characterization presented in view of supporting their infrared and complementary millimeter/submillimeter-wave spectral observations. In detail, the selected target molecules include: (1) the three-membered oxygen-containing heterocycles: oxirane and protonated oxirane, (2) the cyclopropenyl cation and its methyl derivative, (3) two examples of ortho- and peri-fused tri-cyclic aromatic rings, i.e., the phenalenyl

  5. In situ ellipsometry — A powerful tool for monitoring alkali doping of organic thin films

    International Nuclear Information System (INIS)

    Haidu, F.; Ludemann, M.; Schäfer, P.; Gordan, O.D.; Zahn, D.R.T.

    2014-01-01

    The changes of the optical properties of several organic thin films induced by potassium doping were monitored using in situ spectroscopic ellipsometry. The samples were prepared in a high vacuum chamber by organic molecular deposition. Then, potassium (K) was evaporated by passing current through K getters. The three different organic molecules used, show very distinct and different spectral behaviour upon doping. While for Tris-(8-hydroxyquinoline)-aluminium(III) and N,N′-Di-[(1-naphthyl)-N,N′-diphenyl]-(1,1′-biphenyl)-4,4′-diamine only small shifts of the spectral features were noticed, Manganese Phthalocyanine revealed significant changes of the optical properties induced by the K doping. This work indicates that the K doping process can have a dramatic effect on the electronic and the optical properties of the organic molecules, but the effect on the optical spectra remains specific for each organic molecule used, and cannot be easily predicted. - Highlights: • Monitoring organic film growth and doping with in situ spectroscopic ellipsometry • K doped organic thin films • Optical properties of organic thin films change by K doping. • The changes in the optical spectra remain specific for each organic molecule used

  6. Insight into excimer laser crystallization exploiting ellipsometry: Effect of silicon film precursor

    Energy Technology Data Exchange (ETDEWEB)

    Losurdo, Maria [Institute of Inorganic Methodologies and of Plasmas, IMIP-CNR and INSTM sez. Bari, Via Orabona 4, 70125 Bari (Italy)], E-mail: maria.losurdo@ba.imip.cnr.it; Giangregorio, Maria M.; Sacchetti, Alberto; Capezzuto, Pio; Bruno, Giovanni [Institute of Inorganic Methodologies and of Plasmas, IMIP-CNR and INSTM sez. Bari, Via Orabona 4, 70125 Bari (Italy); Mariucci, Luigi; Fortunato, Guglielmo [IFN-CNR, Via Cineto Romano, 42 - 00156 Rome (Italy)

    2007-07-16

    The optical diagnostic of spectroscopic ellipsometry is shown to be an effective tool to investigate the mechanism of excimer laser crystallization (ELC) of silicon thin films. A detailed spectroscopic ellipsometric investigation of the microstructures of polycrystalline Si films obtained on SiO{sub 2}/Si wafers by ELC of a-Si:H and nc-Si films deposited, respectively, by SiH{sub 4} plasma enhanced chemical vapor deposition (PECVD) and SiF{sub 4}-PECVD is presented. It is shown that ellipsometric spectra of the pseudodielectric function of polysilicon thin films allows to discern the three different ELC regimes of partial melting, super lateral growth and complete melting. Exploiting ellipsometry and atomic force microscopy, it is shown that ELC of nc-Si has very low energy density threshold of 95 mJ/cm{sup 2} for complete melting, and that re-crystallization to large grains of {approx} 2 {mu}m can be achieved by multi-shot irradiation at an energy density as low as 260 mJ/cm{sup 2} when using nc-Si when compared to 340 mJ/cm{sup 2} for the ELC of a-Si films.

  7. Synthesis, characterization, spectroscopic properties and DFT study of a new pyridazinone family

    Science.gov (United States)

    Arrue, Lily; Rey, Marina; Rubilar-Hernandez, Carlos; Correa, Sebastian; Molins, Elies; Norambuena, Lorena; Zarate, Ximena; Schott, Eduardo

    2017-11-01

    Nitrogen compounds are widely investigated due to their pharmacological properties such as antihypertensive, antinociceptive, antibacterial, antifungal, analgesic, anticancer and inhibition activities and lately even as pesticide. In this context, we present the synthesis of new compounds: (E)-6-(3,4-dimethoxyphenyl)-3-(3-(3,4-dimethoxyphenyl)acryloyl)-1-(4-R-phenyl)- 5,6-dihydropyridazin-4(1H)-one (with R = sbnd H(1), -Cl(2), -Br(3), sbnd I(4) and sbnd COOH(5)) that was carried out by reaction of (1E, 6E)-1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione with a substituted phenylamine with general formula p-R-C6H4sbnd NH2 (R = sbnd H (1), sbnd Cl (2), -Br(3), sbnd I(4) and sbnd COOH(5)). This is the first synthesis report of a pyridazinone using as precursors a curcuminoid derivative and a diazonium salt formed in situ. All compounds were characterized by EA, FT-IR, UV-Vis, Emission,1H- and13C-NMR spectroscopy and the crystalline and molecular structure of 4 was solved by X-rays diffraction method. DFT and TD-DFT quantum chemical calculations were also employed to characterize the compounds and provide a rational explanation to the spectroscopic properties. To assess the biological activity of the systems, we focused on pesticide tests on compound 2, which showed an inhibitory effect in plant growth of Agrostis tenuis Higland.

  8. X-ray Spectroscopic Characterization of Plasma for a Charged-Particle Energy-Loss Experiment

    Science.gov (United States)

    Hoffman, Nm; Lee, Cl; Wilson, Dc; Barnes, Cris W.; Petrasso, Rd; Li, C.; Hicks, D.

    2000-10-01

    We are pursuing an approach to a charged-particle energy-loss experiment in which charged fusion products from an imploded ICF capsule travel through a well characterized, spatially separate plasma. For this purpose, a fully ionized, uniform, nearly steady-state carbon-hydrogen plasma will be created by laser irradiation of a plastic foil. The temperature and density structure of this plasma must be determined accurately in order to relate observed energy losses to predictions of theory. Various methods for diagnosing the plasma are possible, including Thomson scattering. Alternatively, if a small admixture of higher-Z material such as chlorine is included in the plastic, x-ray spectroscopic techniques will allow the plasma's temperature and density to be determined. Electron temperature is inferred from the ratios of line strengths of various chlorine ion stages, while electron density is determined from the spectra of lithium-like satellite lines near the He beta line of helium-like chlorine. We present results from detailed-configuration accounting (DCA) models of line emission from C+H+Cl plasmas, and estimate the accuracy with which such plasmas can be characterized.

  9. Ellipsometry study of optical parameters of AgIn5S8 crystals

    Science.gov (United States)

    Isik, Mehmet; Gasanly, Nizami

    2015-12-01

    AgIn5S8 crystals grown by Bridgman method were characterized for optical properties by ellipsometry measurements. Spectral dependence of optical parameters; real and imaginary parts of the pseudodielectric function, pseudorefractive index, pseudoextinction coefficient, reflectivity and absorption coefficient were obtained from ellipsometry experiments carried out in the 1.2-6.2 eV range. Direct band gap energy of 1.84 eV was found from the analysis of absorption coefficient vs. photon energy. The oscillator energy, dispersion energy and zero-frequency refractive index, high-frequency dielectric constant values were found from the analysis of the experimental data using Wemple-DiDomenico and Spitzer-Fan models. Crystal structure and atomic composition ratio of the constituent elements in the AgIn5S8 crystal were revealed from structural characterization techniques of X-ray diffraction and energy dispersive spectroscopy.

  10. Ellipsometry study of optical parameters of AgIn{sub 5}S{sub 8} crystals

    Energy Technology Data Exchange (ETDEWEB)

    Isik, Mehmet, E-mail: mehmet.isik@atilim.edu.tr [Department of Electrical and Electronics Engineering, Atilim University, 06836 Ankara (Turkey); Gasanly, Nizami [Department of Physics, Middle East Technical University, 06800 Ankara (Turkey); Virtual International Scientific Research Centre, Baku State University, 1148 Baku (Azerbaijan)

    2015-12-01

    AgIn{sub 5}S{sub 8} crystals grown by Bridgman method were characterized for optical properties by ellipsometry measurements. Spectral dependence of optical parameters; real and imaginary parts of the pseudodielectric function, pseudorefractive index, pseudoextinction coefficient, reflectivity and absorption coefficient were obtained from ellipsometry experiments carried out in the 1.2–6.2 eV range. Direct band gap energy of 1.84 eV was found from the analysis of absorption coefficient vs. photon energy. The oscillator energy, dispersion energy and zero-frequency refractive index, high-frequency dielectric constant values were found from the analysis of the experimental data using Wemple-DiDomenico and Spitzer-Fan models. Crystal structure and atomic composition ratio of the constituent elements in the AgIn{sub 5}S{sub 8} crystal were revealed from structural characterization techniques of X-ray diffraction and energy dispersive spectroscopy.

  11. Spectroscopic characterization of extrasolar planets from ground-, space- and airborne-based observatories

    Science.gov (United States)

    Angerhausen, Daniel

    2010-11-01

    This thesis deals with techniques and results of observations of exoplanets from several platforms. In this work I present and then attempt solutions to particular issues and problems connected to ground- and space-based approaches to spectroscopic characterization of extrasolar planets. Furthermore, I present the future prospects of the airborne observatory, SOFIA, in this field of astronomy. The first part of this thesis covers results of an exploratory study to use near-infrared integral-field-spectroscopy to observe transiting extrasolar planets. I demonstrate how adaptive-optics assisted integral field spectroscopy compares with other spectroscopic techniques currently applied, foremost being slit spectroscopy. An advanced reduction method using elements of a spectral-differential decorrelation and optimized observation strategies is discussed. This concept was tested with K-Band time series observations of secondary eclipses of HD 209458b and HD 189733b obtained with the SINFONI at the Very Large Telescope (VLT), at spectral resolution of R~3000. In ground-based near infrared (NIR) observations, there is considerable likelihood of confusion between telluric absorption features and spectral features in the targeted object. I describe a detailed method that can cope with such confusion by a forward modelling approach employing Earth transmission models. In space-based transit spectroscopy with Hubble's NICMOS instrument, the main source of systematic noise is the perturbation in the instrument's configuration due to the near Earth orbital motion of the spacecraft. I present an extension to a pre-existing data analysis sequence that has allowed me to extract a NIR transmission spectrum of the hot-Neptune class planet GJ 436b from a data set that was highly corrupted by the above mentioned effects. Satisfyingly, I was able to obtain statistical consistency in spectra (acquired over a broad wavelength grid) over two distinct observing visits by HST. Earlier

  12. Characterization of a spectroscopic detector for application in x-ray computed tomography

    Science.gov (United States)

    Dooraghi, Alex A.; Fix, Brian J.; Smith, Jerel A.; Brown, William D.; Azevedo, Stephen G.; Martz, Harry E.

    2017-09-01

    Recent advances in cadmium telluride (CdTe) energy-discriminating pixelated detectors have enabled the possibility of Multi-Spectral X-ray Computed Tomography (MSXCT) to incorporate spectroscopic information into CT. MultiX ME 100 V2 is a CdTe-based spectroscopic x-ray detector array capable of recording energies from 20 to 160 keV in 1.1 keV energy bin increments. Hardware and software have been designed to perform radiographic and computed tomography tasks with this spectroscopic detector. Energy calibration is examined using the end-point energy of a bremsstrahlung spectrum and radioisotope spectral lines. When measuring the spectrum from Am-241 across 500 detector elements, the standard deviation of the peak-location and FWHM measurements are +/- 0.4 and +/- 0.6 keV, respectively. As these values are within the energy bin size (1.1 keV), detector elements are consistent with each other. The count rate is characterized, using a nonparalyzable model with a dead time of 64 +/- 5 ns. This is consistent with the manufacturer's quoted per detector-element linear-deviation at 2 Mpps (million photons per sec) of 8.9 % (typical) and 12 % (max). When comparing measured and simulated spectra, a low-energy tail is visible in the measured data due to the spectral response of the detector. If no valid photon detections are expected in the low-energy tail, then a background subtraction may be applied to allow for a possible first-order correction. If photons are expected in the low-energy tail, a detailed model must be implemented. A radiograph of an aluminum step wedge with a maximum height of 20 mm shows an underestimation of attenuation by about 10 % at 60 keV. This error is due to partial energy deposition from higher energy (>60 keV) photons into a lower-energy ( 60 keV) bin, reducing the apparent attenuation. A radiograph of a polytetrafluoroethylene (PTFE) cylinder taken using a bremsstrahlung spectrum from an x-ray voltage of 100 kV filtered by 1.3 mm Cu is

  13. Characterization of a spectroscopic detector for application in x-ray computed tomography

    Energy Technology Data Exchange (ETDEWEB)

    Dooraghi, A. A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Fix, B. J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Smith, J. A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Brown, W. D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Azevedo, S. G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Martz, H. E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-04-21

    Recent advances in cadmium telluride (CdTe) energy-discriminating pixelated detectors have enabled the possibility of Multi-Spectral X-ray Computed Tomography (MSXCT) to incorporate spectroscopic information into CT. MultiX ME 100 V2 is a CdTe-based spectroscopic x-ray detector array capable of recording energies from 20 to 160 keV in 1.1 keV energy bin increments. Hardware and software have been designed to perform radiographic and computed tomography tasks with this spectroscopic detector. Energy calibration is examined using the end-point energy of a bremsstrahlung spectrum and radioisotope spectral lines. When measuring the spectrum from Am-241 across 500 detector elements, the standard deviation of the peak-location and FWHM measurements are ±0.4 and ±0.6 keV, respectively. As these values are within the energy bin size (1.1 keV), detector elements are consistent with each other. The count rate is characterized, using a nonparalyzable model with a dead time of 64 ± 5 ns. This is consistent with the manufacturer’s quoted per detector-element linear-deviation at 2 Mpps (million photons per sec) of 8.9% (typical) and 12% (max). When comparing measured and simulated spectra, a low-energy tail is visible in the measured data due to the spectral response of the detector. If no valid photon detections are expected in the low-energy tail, then a background subtraction may be applied to allow for a possible first-order correction. If photons are expected in the low-energy tail, a detailed model must be implemented. A radiograph of an aluminum step wedge with a maximum height of about 20 mm shows an underestimation of attenuation by about 10% at 60 keV. This error is due to partial energy deposition from higher-energy (> 60 keV) photons into a lower-energy (~60 keV) bin, reducing the apparent attenuation. A radiograph of a PTFE cylinder taken using a bremsstrahlung spectrum from an x-ray voltage of 100 kV filtered by 1.3 mm Cu is reconstructed using Abel inversion

  14. Design and spectroscopic reflectometry characterization of pulsed laser deposition combinatorial libraries

    International Nuclear Information System (INIS)

    Schenck, Peter K.; Bassim, Nabil D.; Otani, Makoto; Oguchi, Hiroyuki; Green, Martin L.

    2007-01-01

    The goal of the design of pulsed laser deposition (PLD) combinatorial library films is to optimize the compositional coverage of the films while maintaining a uniform thickness. The deposition pattern of excimer laser PLD films can be modeled with a bimodal cos n distribution. Deposited films were characterized using a spectroscopic reflectometer (250-1000 nm) to map the thickness of both single composition calibration films and combinatorial library films. These distribution functions were used to simulate the composition and thickness of multiple target combinatorial library films. The simulations were correlated with electron-probe microanalysis wavelength-dispersive spectroscopy (EPMA-WDS) composition maps. The composition and thickness of the library films can be fine-tuned by adjusting the laser spot size, fluence, background gas pressure, target geometry and other processing parameters which affect the deposition pattern. Results from compositionally graded combinatorial library films of the ternary system Al 2 O 3 -HfO 2 -Y 2 O 3 are discussed

  15. Spectroscopic characterization, antimicrobial activity, DFT computation and docking studies of sulfonamide Schiff bases

    Science.gov (United States)

    Mondal, Sudipa; Mandal, Santi M.; Mondal, Tapan Kumar; Sinha, Chittaranjan

    2017-01-01

    Schiff bases synthesised from the condensation of 2-(hydroxy)naphthaldehyde and sulfonamides (sufathiazole (STZ), sulfapyridine (SPY), sulfadiazine (SDZ), sulfamerazine (SMZ) and sulfaguanidine (SGN)) are characterized by different spectroscopic data (FTIR, UV-Vis, Mass, NMR) and two of them, (E)-4-(((2-hydroxynaphthalen-1-yl)methylene)amino)-N-(thiazol-2-yl)benzenesulfonamide (1a) and (E)-N-(diaminomethylene)-4-(((2-hydroxynaphthalen-1-yl)methylene)amino)benzenesulfonamide (1e) have been confirmed by single crystal X-ray structure determination. Antimicrobial activities of the Schiff bases have been evaluated against certified and resistant Gram positive (Staphylococcus aureus, Enterococcus facelis) and Gram negative (Streptococcus pyogenes, Salmonella typhi, Shigella dysenteriae, Shigella flexneri, Klebsiella pneumonia) pathogens. Performance of Schiff base against the resistant pathogens are better than standard stain and MIC data lie 32-128 μg/ml while parent sulfonamides are effectively inactive (MIC >512 μg/ml). The DFT optimized structures of the Schiff bases have been used to accomplish molecular docking studies with DHPS (dihydropteroate synthase) protein structure (downloaded from Protein Data Bank) to establish the most preferred mode of interaction. ADMET filtration, Cytotoxicity (MTT assay) and haemolysis assay have been examined for evaluation of druglike character.

  16. Spectroscopic characterization of Au 3+ biosorption by waste biomass of Saccharomyces cerevisiae

    Science.gov (United States)

    Lin, Zhongyu; Wu, Jianming; Xue, Ru; Yang, Yong

    2005-02-01

    Some spectroscopic characteristics of Au 3+ biosorption by waste biomass of Saccharomyces cerevisiae have been reported in this paper. The effect of temperature on the correlation parameters of chemical kinetics and thermodynamics of the binding reaction was investigated by using AAS. XRD diffraction pattern of gold-loaded biomass revealed that the Au 3+ bound on the cell wall of the biomass had been reduced into gold particle. FTIR spectrophotometry on blank and gold-loaded biomass demonstrated that active groups such as the hydroxyl group of saccharides, and the carboxylate anion of amino-acid residues, from the peptidoglycan layer on the cell wall seem to be the sites for the Au 3+ binding, and the free aldehyde group of the hemiacetalic hydroxyl group from reducing sugars, i.e. the hydrolysates of the polysaccharides on the peptidoglycan layer, serving as the electron donor, in situ reduced the Au 3+ to Au 0. XPS and IR characterizations of the interaction between glucose and Au 3+ further supported that the reduction of Au 3+ to Au 0 can directly occur at the aldehyde group of the reducing sugars.

  17. Electrochemical impedance spectroscopic characterization of titanium during alkali treatment and apatite growth in simulated body fluid

    International Nuclear Information System (INIS)

    Raman, V.; Tamilselvi, S.; Rajendran, N.

    2007-01-01

    Alkali treatment of titanium with subsequent heat treatment has been adapted as an important pre-treatment procedure for hydroxyapatite formation in orthopaedic applications. The electrochemical study during the alkali treatment process has not been explored yet. In the present work, electrochemical impedance spectroscopic (EIS) studies have been employed to analyse the electrochemical behaviour of titanium during the alkali treatment. The open circuit potential and potentiodynamic polarisation measurements were carried out in simulated body fluid (SBF) solution. Scanning electron microscopy and energy dispersive X-ray analysis were used to characterize the surface morphology and to correlate the results obtained from the electrochemical studies. An optimum growth of the passive film was found to occur at the end of 17th hour of treatment by alkali treatment. The alkali treated titanium immersed in SBF solution for various durations exhibited the formation of a duplex layer structure due to an inner barrier layer and an outer gel layer during the initial periods of immersion. However, with increase in immersion time to 10 days, a stable apatite layer was formed over the barrier layer and this was confirmed from the equivalent circuit fitted for the impedance data

  18. Electrochemical impedance spectroscopic characterization of titanium during alkali treatment and apatite growth in simulated body fluid

    Energy Technology Data Exchange (ETDEWEB)

    Raman, V.; Tamilselvi, S. [Department of Chemistry, MIT Campus, Anna University, Chennai 600 044 (India); Rajendran, N. [Department of Chemistry, MIT Campus, Anna University, Chennai 600 044 (India)], E-mail: nrajendran@annauniv.edu

    2007-09-30

    Alkali treatment of titanium with subsequent heat treatment has been adapted as an important pre-treatment procedure for hydroxyapatite formation in orthopaedic applications. The electrochemical study during the alkali treatment process has not been explored yet. In the present work, electrochemical impedance spectroscopic (EIS) studies have been employed to analyse the electrochemical behaviour of titanium during the alkali treatment. The open circuit potential and potentiodynamic polarisation measurements were carried out in simulated body fluid (SBF) solution. Scanning electron microscopy and energy dispersive X-ray analysis were used to characterize the surface morphology and to correlate the results obtained from the electrochemical studies. An optimum growth of the passive film was found to occur at the end of 17th hour of treatment by alkali treatment. The alkali treated titanium immersed in SBF solution for various durations exhibited the formation of a duplex layer structure due to an inner barrier layer and an outer gel layer during the initial periods of immersion. However, with increase in immersion time to 10 days, a stable apatite layer was formed over the barrier layer and this was confirmed from the equivalent circuit fitted for the impedance data.

  19. Spectroscopic Characterization of Intermolecular Interaction of Amyloid β Promoted on GM1 Micelles

    Directory of Open Access Journals (Sweden)

    Maho Yagi-Utsumi

    2011-01-01

    Full Text Available Clusters of GM1 gangliosides act as platforms for conformational transition of monomeric, unstructured amyloid β (Aβ to its toxic β-structured aggregates. We have previously shown that Aβ(1–40 accommodated on the hydrophobic/hydrophilic interface of lyso-GM1 or GM1 micelles assumes α-helical structures under ganglioside-excess conditions. For better understanding of the mechanisms underlying the α-to-β conformational transition of Aβ on GM1 clusters, we performed spectroscopic characterization of Aβ(1–40 titrated with GM1. It was revealed that the thioflavin T- (ThT- reactive β-structure is more populated in Aβ(1–40 under conditions where the Aβ(1–40 density on GM1 micelles is high. Under this circumstance, the C-terminal hydrophobic anchor Val39-Val40 shows two distinct conformational states that are reactive with ThT, while such Aβ species were not generated by smaller lyso-GM1 micelles. These findings suggest that GM1 clusters promote specific Aβ-Aβ interactions through their C-termini coupled with formation of the ThT-reactive β-structure depending on sizes and curvatures of the clusters.

  20. Infrared spectroscopic characterization of monocytic microvesicles (microparticles) released upon lipopolysaccharide stimulation.

    Science.gov (United States)

    Lee, Joonsup; Wen, Beryl; Carter, Elizabeth A; Combes, Valery; Grau, Georges E R; Lay, Peter A

    2017-07-01

    Microvesicles (MVs) are involved in cell-cell interactions, including disease pathogenesis. Nondestructive Fourier-transform infrared (FTIR) spectra from MVs were assessed as a technique to provide new biochemical insights into a LPS-induced monocyte model of septic shock. FTIR spectroscopy provided a quick method to investigate relative differences in biomolecular content of different MV populations that was complementary to traditional semiquantitative omics approaches, with which it is difficult to provide information on relative changes between classes (proteins, lipids, nucleic acids, carbohydrates) or protein conformations. Time-dependent changes were detected in biomolecular contents of MVs and in the monocytes from which they were released. Differences in phosphatidylcholine and phosphatidylserine contents were observed in MVs released under stimulation, and higher relative concentrations of RNA and α-helical structured proteins were present in stimulated MVs compared with MVs from resting cells. FTIR spectra of stimulated monocytes displayed changes that were consistent with those observed in the corresponding MVs they released. LPS-stimulated monocytes had reduced concentrations of nucleic acids, α-helical structured proteins, and phosphatidylcholine compared with resting monocytes but had an increase in total lipids. FTIR spectra of MV biomolecular content will be important in shedding new light on the mechanisms of MVs and the different roles they play in physiology and disease pathogenesis.-Lee, J., Wen, B., Carter, E. A., Combes, V., Grau, G. E. R., Lay, P. A. Infrared spectroscopic characterization of monocytic microvesicles (microparticles) released upon lipopolysaccharide stimulation. © FASEB.

  1. Characterizing the structure of lipodisq nanoparticles for membrane protein spectroscopic studies.

    Science.gov (United States)

    Zhang, Rongfu; Sahu, Indra D; Liu, Lishan; Osatuke, Anna; Comer, Raven G; Dabney-Smith, Carole; Lorigan, Gary A

    2015-01-01

    Membrane protein spectroscopic studies are challenging due to the difficulty introduced in preparing homogenous and functional hydrophobic proteins incorporated into a lipid bilayer system. Traditional membrane mimics such as micelles or liposomes have proved to be powerful in solubilizing membrane proteins for biophysical studies, however, several drawbacks have limited their applications. Recently, a nanosized complex termed lipodisq nanoparticles was utilized as an alternative membrane mimic to overcome these caveats by providing a homogeneous lipid bilayer environment. Despite all the benefits that lipodisq nanoparticles could provide to enhance the biophysical studies of membrane proteins, structural characterization in different lipid compositions that closely mimic the native membrane environment is still lacking. In this study, the formation of lipodisq nanoparticles using different weight ratios of POPC/POPG lipids to SMA polymers was characterized via solid-state nuclear magnetic resonance (SSNMR) spectroscopy and dynamic light scattering (DLS). A critical weight ratio of (1/1.25) for the complete solubilization of POPC/POPG vesicles has been observed and POPC/POPG vesicles turned clear instantaneously upon the addition of the SMA polymer. The size of lipodisq nanoparticles formed from POPC/POPG lipids at this weight ratio of (1/1.25) was found to be about 30 nm in radius. We also showed that upon the complete solubilization of POPC/POPG vesicles by SMA polymers, the average size of the lipodisq nanoparticles is weight ratio dependent, when more SMA polymers were introduced, smaller lipodisq nanoparticles were obtained. The results of this study will be helpful for a variety of biophysical experiments when specific size of lipid disc is required. Further, this study will provide a proper path for researchers working on membrane proteins to obtain pertinent structure and dynamic information in a physiologically relevant membrane mimetic environment

  2. Ultrafast dynamic ellipsometry and spectroscopies of laser shocked materials

    Energy Technology Data Exchange (ETDEWEB)

    Mcgrane, Shawn David [Los Alamos National Laboratory; Bolme, Cindy B [Los Alamos National Laboratory; Whitley, Von H [Los Alamos National Laboratory; Moore, David S [Los Alamos National Laboratory

    2010-01-01

    Ultrafast ellipsometry and transient absorption spectroscopies are used to measure material dynamics under extreme conditions of temperature, pressure, and volumetric compression induced by shock wave loading with a chirped, spectrally clipped shock drive pulse.

  3. Spectroscopic characterization of novel multilayer mirrors intended for astronomical and laboratory applications

    Science.gov (United States)

    Ragozin, Eugene N.; Mednikov, Konstantin N.; Pertsov, Andrei A.; Pirozhkov, Alexander S.; Reva, Anton A.; Shestov, Sergei V.; Ul'yanov, Artem S.; Vishnyakov, Eugene A.

    2009-05-01

    We report measurements of the reflection spectra of (i) concave (spherical and parabolic) Mo/Si, Mg/Si, and Al/Zr multilayer mirrors (MMs) intended for imaging solar spectroscopy in the framework of the TESIS/CORONAS-FOTON Satellite Project and of (ii) an aperiodic Mo/Si MM optimized for maximum uniform reflectivity in the 125-250 Å range intended for laboratory applications. The reflection spectra were measured in the configuration of a transmission grating spectrometer employing the radiation of a tungsten laser-driven plasma as the source. The function of detectors was fulfilled by backside-illuminated CCDs coated with Al or Zr/Si multilayer absorption filters. High-intensity second-order interference reflection peaks at wavelengths of about 160 Å were revealed in the reflection spectra of the 304-Å Mo/Si MMs. By contrast, the second-order reflection peak in the spectra of the new-generation narrow-band (~12 Å FWHM) 304-Å Mg/Si MMs is substantially depressed. Manifestations of the NEXAFS structure of the L2, 3 absorption edges of Al and Al2O3 were observed in the spectra recorded. The broadband Mo/Si MM was employed as the focusing element of spectrometers in experiments involving (i) the charge exchange of multiply charged ions with the donor atoms of a rare-gas jet; (ii) the spectroscopic characterization of a debris-free soft X-ray radiation source excited by Nd laser pulses in a Xe jet (iii) near-IR-to-soft-X-ray frequency conversion (double Doppler effect) occurring in the retroreflection from the relativistic electron plasma wake wave (flying mirror) driven by a multiterawatt laser in a pulsed helium jet.

  4. Spectroscopic and thermal characterization of bovine enamel and dentine using the photoacoustic effect

    International Nuclear Information System (INIS)

    Stolf, Sandro Fernando

    2003-01-01

    The optical and thermal properties of dental tissues determine the nature and extent of the tissue response through the processes of absorption, transmission, reflection and scattering of the laser light and the heat produced by the absorption of that light. The spectroscopic characterization of bovine dentine and enamel, and the determination of the thermal diffusivity were the aim of this study. The photoacoustic spectra from these tissues were obtained in the Near-Infrared range 900 - 2500 nm, which is the clinical range for odontological application of most lasers. Photoacoustic spectra were taken from block, slices and powder of enamel and dentine. Also photoacoustic spectra were registered before and after 2, 5 and 10 h of topical fluoride (2.26%) application. Using the same technique spectra were taken from dentine and enamel after irradiation with Nd:YAG, Er:YAG, Ho:YLF and CO 2 . It is evident from the results that the presence of O-H in the composition of hydroxyapatite and the water present in the teeth tissue make the obtention of spectrum from components other than O-H bond a very difficult task. In this way, only bands assigned to overtones and combinations of O-H stretch were observed. The thermal diffusivity of the bovine dentine was also measured using the photoacoustic technique. The thermal diffusivity is the physical quantity which measures the rate of heat diffusion throughout the sample. For higher values of the thermal diffusivity the heat diffusion and temperature rise will be faster. As there is many studies devoted to the processes of heat transfer throughout dental tissues using bovine teeth, it is important the determination of its thermal diffusivity. The measured value was found to be a = 2.0 (±0.1).1O -3 cm 2 /s for the both direction, perpendicular and parallel to the dentinal tubules. These a lues indicate that there is no difference between the thermal diffusivities for the both directions. (author)

  5. Characterizing Nanophase Materials on Mars: Spectroscopic Studies of Allophane and Imogolite

    Science.gov (United States)

    Jeute, Thomas; Baker, Leslie; Bishop, Janice; Rampe, Elizabeth; Abidin, Zaenal

    2017-01-01

    Allophane is an amorphous or poorly crystalline hydrous aluminosilicate material. Allophane's chemical structure represents a hollow nanosphere, 5-6 nm in diameter with 4-7 large pores in the structure. Identification of allophane and other amorphous and nanophase minerals on Mars has provided clues about the aqueous geochemical environment there. These materials likely represent partially altered or leached basaltic ash and therefore, could represent a geologic marker for where water was present on the Martian surface; as well as indicate regions of climate change, where surface water was not present long enough or sufficiently warm to form clays. Characterization of these materials is important for increasing spectral recognition capabilities using visible/near-infrared (VNIR) and thermal infrared (TIR) spectra of Mars. A suite of synthetic allophane samples was created using a method that has been modified to produce allophane with Fe isomorphically substituted for Al in octahedral coordination. Compositions of the materials range from high-Si allophane (molar Al:Si = 1:2) to protoimogolite (Al:Si = 2:1), with Fe(3+) and Fe(2+) isomorphically substituted for Al from 0-10 mol% of total Al. These compositions span the range observed in natural terrestrial allophanes. Fe K-edge X-ray absorption spectroscopy provided information on the speciation and electrochemical and structural position of Fe in the framework. Fourier transform infrared spectroscopy confirmed syntheses and demonstrated changes in infrared spectroscopic signature with Fe substitution. VNIR reflectance spectra and TIR Thermal infrared emissivity spectra were also collected for direct comparison to Martian data. By increasing spectral recognition capacities of nanophase materials, more accurate estimates can be made on the aqueous geochemical environment of Mars.

  6. Characterization of KCNE1 inside Lipodisq Nanoparticles for EPR Spectroscopic Studies of Membrane Proteins.

    Science.gov (United States)

    Sahu, Indra D; Zhang, Rongfu; Dunagan, Megan M; Craig, Andrew F; Lorigan, Gary A

    2017-06-01

    EPR spectroscopic studies of membrane proteins in a physiologically relevant native membrane-bound state are extremely challenging due to the complexity observed in inhomogeneity sample preparation and dynamic motion of the spin-label. Traditionally, detergent micelles are the most widely used membrane mimetics for membrane proteins due to their smaller size and homogeneity, providing high-resolution structure analysis by solution NMR spectroscopy. However, it is often difficult to examine whether the protein structure in a micelle environment is the same as that of the respective membrane-bound state. Recently, lipodisq nanoparticles have been introduced as a potentially good membrane mimetic system for structural studies of membrane proteins. However, a detailed characterization of a spin-labeled membrane protein incorporated into lipodisq nanoparticles is still lacking. In this work, lipodisq nanoparticles were used as a membrane mimic system for probing the structural and dynamic properties of the integral membrane protein KCNE1 using site-directed spin labeling EPR spectroscopy. The characterization of spin-labeled KCNE1 incorporated into lipodisq nanoparticles was carried out using CW-EPR titration experiments for the EPR spectral line shape analysis and pulsed EPR titration experiment for the phase memory time (T m ) measurements. The CW-EPR titration experiment indicated an increase in spectral line broadening with the addition of the SMA polymer which approaches close to the rigid limit at a lipid to polymer weight ratio of 1:1, providing a clear solubilization of the protein-lipid complex. Similarly, the T m titration experiment indicated an increase in T m values with the addition of SMA polymer and approaches ∼2 μs at a lipid to polymer weight ratio of 1:2. Additionally, CW-EPR spectral line shape analysis was performed on six inside and six outside the membrane spin-label probes of KCNE1 in lipodisq nanoparticles. The results indicated significant

  7. The study of genomic DNA adsorption and subsequent interactions using total internal reflection ellipsometry.

    Science.gov (United States)

    Nabok, Alexei; Tsargorodskaya, Anna; Davis, Frank; Higson, Séamus P J

    2007-10-31

    The adsorption of genomic DNA and subsequent interactions between adsorbed and solvated DNA was studied using a novel sensitive optical method of total internal reflection ellipsometry (TIRE), which combines spectroscopic ellipsometry with surface plasmon resonance (SPR). Single strands of DNA of two species of fish (herring and salmon) were electrostatically adsorbed on top of polyethylenimine films deposited upon gold coated glass slides. The ellipsometric spectra were recorded and data fitting utilized to extract optical parameters (thickness and refractive index) of adsorbed DNA layers. The further adsorption of single stranded DNA from an identical source, i.e. herring ss-DNA on herring ss-DNA or salmon ss-DNA on salmon ss-DNA, on the surface was observed to give rise to substantial film thickness increases at the surface of about 20-21 nm. Conversely adsorption of DNA from alternate species, i.e. salmon ss-DNA on herring ss-DNA or herring ss-DNA on salmon ss-DNA, yielded much smaller changes in thickness of 3-5 nm. AFM studies of the surface roughness of adsorbed layers were in line with the TIRE data.

  8. Spectral ellipsometry of a nanodiamond composite

    International Nuclear Information System (INIS)

    Yastrebov, S. G.; Gordeev, S. K.; Garriga, M.; Alonso, I. A.; Ivanov-Omskii, V. I.

    2006-01-01

    Optical properties of a nanodiamond composite were analyzed by methods of spectral ellipsometry in the range of photon energies 1.4-5 eV, which are characteristic of π-π* transitions in amorphous carbon. The nanocomposite was synthesized by molding nanodiamond powder with subsequent binding of diamond nanoparticles by pyrocarbon formed as a result of the heterogeneous chemical reaction of methane decomposition. The dispersion curves of the imaginary and real parts of the dielectric function were reconstructed. It is shown that the imaginary part of the dielectric function can be represented as the sum of two components generated by the two types of π-π* optical transitions. The maximum contribution of the transitions of the first and second types manifests itself at energies of 2.6 and 5.6 eV, respectively, which correspond to peaks in optical density at 2.9 and 6.11 eV. It was established that the main specific features of the normalized optical density of the nanodiamond composite almost coincide with those for poly(para-phenylenevinylene). It was found that the energy of a σ + π plasmon of the pyrocarbon component of the nanodiamond composite is 24.2 eV. On the basis on this value, the pyrocarbon density matrix was estimated to be 2 g/cm 3 . Within the concepts of optimum filling of an elementary volume by carbon atoms in an amorphous material with such a density, the allotropic composition of the pyrocarbon matrix was restored

  9. Spectroscopic and ultrasonic investigations on structural characterization of borate glass specimen doped with transition metal ions.

    Science.gov (United States)

    Sathish, K; Thirumaran, S

    2015-08-05

    The present work describes the glass samples of composition (x% V₂O₅-(80-x)% B₂O₃-20% Na₂CO₃) VBS glass system and (x%MnO₂-(80-x)% B₂O₃-20% Na₂CO₃) in MBS glass system with mol% ranging from x=3, 6, 9, 12, 15 and 18 in steps of 3 mol% are prepared by melt quenching technique. For these prepared glass systems, sound velocity (longitudinal and shear velocities) and density have been measured. The sound velocity (longitudinal and shear) was measured by using pulse-echo technique at 5 MHz. The XRD study was carried to out to ascertain the amorphous nature of the glass specimen. Using these measured values, the elastic moduli, Poisson's ratio, Debye temperature, acoustic impedance and thermal expansion coefficient of the two glass systems were evaluated. The elastic and mechanical properties of the prepared glass systems are analyzed from ultrasonic study and the structural characterization from spectroscopic study. The effects due to the doping of transition metal ions with borate have been discussed. In the V₂O₅ doped glass system,(VBS glass system) the sound velocity, density and elastic moduli, steeply increases after 12 mol% comparatively with MnO₂ doped glass system (VBS glass system). The present study critically observes the doping of V₂O₅ with borate enhances the strengthening of network linkage and hardening of the glassy network structure than MnO₂. The IR spectral analysis reveals depolymerization of the borate network and conversion of BO₃ or BO4 units with the formation of non-bridging oxygen. The FTIR spectral studies confirm the presence of various functional groups of the sample. FTIR spectrum of sample exhibits broad absorption bands indicating the wide distribution of borate structural units. The effect of Na₂CO₃, V₂O₅ and MnO₂ contents on the structures of borate glass is evaluated from the FTIR spectra. The topological aspects of the prepared glass samples are exhaustively reported from SEM micrographs

  10. Synthesis, spectroscopic characterization and acoustic, volumetric, transport and thermal properties of hydroxyl ammonium based ionic liquids

    International Nuclear Information System (INIS)

    Losetty, Venkatramana; Chennuri, Bharath Kumar; Gardas, Ramesh L.

    2016-01-01

    Graphical abstract: Density, ρ (■) in kg · m"−"3, speed of sound, u (●) in m · s"−"1, dynamic viscosity, η (▴) in mPa · s, electrical conductivity, σ (♦) in S · cm"−"1of [BHEA][TFA] as the function of temperature and at 0.1 MPa pressure. - Highlights: • N-butyl-(N-hydroxyethyl) ammonium based protic ionic liquids (PILs) were synthesized. • Density, speed of sound, electrical conductivity and viscosity were measured for studied PILs. • Transport property data were fitted to Vogel–Tammann–Fulcher (VTF) equation. • FT-IR spectrum was helpful to explain the hydrogen bonding between ions. • Measured and derived properties were analyzed in terms of chemical structure of PILs. - Abstract: In the present work, solvent-free synthesis of two hydroxyethyl ammonium-based ionic liquids (ILs) at room temperature was carried out namely, N-butyl-(N-hydroxyethyl) ammonium trifluoroacetate ([BHEA][TFA]) and N-butyl-(N-hydroxyethyl) ammonium nitrate ([BHEA][NO_3]). The synthesized ionic liquids were characterized by various spectroscopic techniques such as "1H-NMR, "1"3C-NMR and FTIR. Furthermore, density (ρ), speed of sound (u), electrical conductivity (σ) and viscosity (η) have been measured within the temperature range from T = (303.15 to 343.15) K and at 0.1 MPa pressure. The measured density and viscosity values were fitted to the linear and Vogel–Tammann–Fulcher (VTF) equation, respectively. The temperature dependence conductivity of the measured ILs was fitted to a similar equation type of viscosity (VTF). Furthermore, the refractive index was measured at T = 303.15 K, in turn molar refraction (R_m) and free volume (f_V) were calculated using the Lorentz–Lorenz equation. The thermodynamic properties such as thermal expansion coefficient (α), isentropic compressibility (β_S) and intermolecular free length (L_f) were calculated by using the experimental values of density and speed of sound. The thermal decomposition temperature (T

  11. Spectroscopic and functional characterization of iron-bound forms of Azotobacter vinelandii (Nif)IscA.

    Science.gov (United States)

    Mapolelo, Daphne T; Zhang, Bo; Naik, Sunil G; Huynh, Boi Hanh; Johnson, Michael K

    2012-10-16

    The ability of Azotobacter vinelandii(Nif)IscA to bind Fe has been investigated to assess the role of Fe-bound forms in NIF-specific Fe-S cluster biogenesis. (Nif)IscA is shown to bind one Fe(III) or one Fe(II) per homodimer and the spectroscopic and redox properties of both the Fe(III)- and Fe(II)-bound forms have been characterized using the UV-visible absorption, circular dichroism, and variable-temperature magnetic circular dichroism, electron paramagnetic resonance, Mössbauer and resonance Raman spectroscopies. The results reveal a rhombic intermediate-spin (S = 3/2) Fe(III) center (E/D = 0.33, D = 3.5 ± 1.5 cm(-1)) that is most likely 5-coordinate with two or three cysteinate ligands and a rhombic high spin (S = 2) Fe(II) center (E/D = 0.28, D = 7.6 cm(-1)) with properties similar to reduced rubredoxins or rubredoxin variants with three cysteinate and one or two oxygenic ligands. Iron-bound (Nif)IscA undergoes reversible redox cycling between the Fe(III)/Fe(II) forms with a midpoint potential of +36 ± 15 mV at pH 7.8 (versus NHE). l-Cysteine is effective in mediating release of free Fe(II) from both the Fe(II)- and Fe(III)-bound forms of (Nif)IscA. Fe(III)-bound (Nif)IscA was also shown to be a competent iron source for in vitro NifS-mediated [2Fe-2S] cluster assembly on the N-terminal domain of NifU, but the reaction occurs via cysteine-mediated release of free Fe(II) rather than direct iron transfer. The proposed roles of A-type proteins in storing Fe under aerobic growth conditions and serving as iron donors for cluster assembly on U-type scaffold proteins or maturation of biological [4Fe-4S] centers are discussed in light of these results.

  12. Spectroscopic characterization, antimicrobial activity and molecular docking study of novel azo-imine functionalized sulphamethoxazoles

    Science.gov (United States)

    Sahu, Nilima; Mondal, Sudipa; Naskar, Kaushik; Mahapatra, Ananya Das; Gupta, Suvroma; Slawin, Alexandra M. Z.; Chattopadhyay, Debprasad; Sinha, Chittaranjan

    2018-03-01

    [SMXsbnd Ndbnd Nsbnd C6H3sbnd (p-OH)(msbnd CHO)] (1) reacts with ArNH2 to synthesize Schiff bases, [SMXsbnd Ndbnd Nsbnd C6H3sbnd (psbnd OH)(msbnd HCdbnd Nsbnd Ar)] (Ar = sbnd C6H5 (2a), sbnd C6H4sbnd psbnd CH3 (2b), sbnd C6H4sbnd psbnd OCH3 (2c), sbnd C6H4sbnd psbnd Cl (2d), sbnd C6H4sbnd psbnd NO2 (2e), sbnd C10H7 (2f)) and the products have been assessed for antibacterial properties against Gram positive bacteria, B. subtillis: IC50 (μg/ml): 39.2 (1), 60.1 (2a), 64.0 (2b), 85.6 (2c), 55.1 (2d), 88.4 (2e) and 65.1 (2f); and Gram negative bacteria, E. coli: IC50 (μg/ml): 159.0 (1), 151.4 (2a), 155.3 (2b), 140 (2c), 156.0 (2d), 153.5 (2e) and 157 (2f). The cell line toxicity (Vero cells) has also been evaluated with these compounds and EC50 (μg/ml) values are 129.9 (1), 74.2 (2a) and 93.0 (2b), 191.9 (2c), 99.1 (2d), 93.2 (2e) and 62.0 (2f). The anti-viral efficiency against harpies virus (HSVsbnd 1F ATCC-733) infection demonstrates that the compound 1 has highest selectivity index (CC50/EC50), 5.06 than the compounds 2a-f (CC50/EC50: 1.18 (2a), 1.42 (2b), 3.50 (2c), 1.45 (2d), 1.58 (2e), 1.29 (2f)). The compounds have been spectroscopically characterized and the structural confirmation has been established in one case by single crystal X-ray diffraction studies of 2c. In silico Molecular Docking study has been done using optimized geometries of the compounds to search the most favored binding mode of these drugs and hence useful to explain their competitive drug efficiency.

  13. Band gap of corundumlike α -Ga2O3 determined by absorption and ellipsometry

    Science.gov (United States)

    Segura, A.; Artús, L.; Cuscó, R.; Goldhahn, R.; Feneberg, M.

    2017-07-01

    The electronic structure near the band gap of the corundumlike α phase of Ga2O3 has been investigated by means of optical absorption and spectroscopic ellipsometry measurements in the ultraviolet (UV) range (400-190 nm). The absorption coefficient in the UV region and the imaginary part of the dielectric function exhibit two prominent absorption thresholds with wide but well-defined structures at 5.6 and 6.3 eV which have been ascribed to allowed direct transitions from crystal-field split valence bands to the conduction band. Excitonic effects with large Gaussian broadening are taken into account through the Elliott-Toyozawa model, which yields an exciton binding energy of 110 meV and direct band gaps of 5.61 and 6.44 eV. The large broadening of the absorption onset is related to the slightly indirect character of the material.

  14. Identification and Spectroscopic Characterization of Nonheme Iron(III) Hypochlorite Intermediates

    NARCIS (Netherlands)

    Draksharapu, Apparao; Angelone, Davide; Quesne, Matthew G.; Padamati, Sandeep K.; Gomez, Laura; Hage, Ronald; Costas, Miquel; Browne, Wesley R.; de Visser, Sam P.

    2015-01-01

    Fe-III-hypohalite complexes have been implicated in a wide range of important enzyme-catalyzed halogenation reactions including the biosynthesis of natural products and antibiotics and post-translational modification of proteins. The absence of spectroscopic data on such species precludes their

  15. Chemical and spectroscopic characterization of a vegetable oil used as dielectric coolant in distribution transformers

    Energy Technology Data Exchange (ETDEWEB)

    Gomez, Neffer A.; Abonia, Rodrigo, E-mail: rodrigo.abonia@correounivalle.edu.co [Departamento de Quimica, Escuela de Ingenieria Electrica, Universidad del Valle, Cali (Colombia); Cadavid, Hector [Grupo GRALTA, Escuela de Ingenieria Electrica, Universidad del Valle, Cali (Colombia); Vargas, Ines H. [Area de Ingenieria de Distribucion, Empresas Publicas de Medellin (EPM), Medellin (Colombia)

    2011-09-15

    In this work, a complete UV-Vis, IR and (1H, 13C and DEPT) NMR spectroscopic analysis was performed for a FR3 vegetable oil sample used as dielectric coolant in an experimental distribution transformer. The same spectroscopic analysis was performed for three used FR3 oil samples (i.e., 4 months in use, 8 months in use and 7 years in use), removed from several operating distribution transformers. Comparison of the data indicated that no significant spectroscopic changes, and hence, no structural changes occurred to the oils by the use. Chemical transformations like catalytic hydrogenation (hardening) and hydrolysis were performed to the FR3 oil sample and the obtained products were analyzed by spectroscopic methods in order to collect further structural information about the FR3 oil. Accelerated aging tests in laboratory were also performed for three FR3 oil samples affording interesting information about the structure of the degradation products. These findings would be valuable to search for a spectroscopy-based technique for monitoring the lifetime and performance of this insulating vegetable oil. (author)

  16. Mueller-matrix ellipsometry studies of optically active structures in scarab beetles

    Directory of Open Access Journals (Sweden)

    Arwin H.

    2010-06-01

    Full Text Available The complexity of multilayers, photonic crystals, metamaterials and other artificial materials has promoted the use of spectroscopic, variable angle, generalized and Mueller-matrix ellipsometry. Naturally occurring structures may show even higher complexity than artificial structures but with a more narrow range of constituent materials. Fascinating reflection properties result from intricate photonic structures in, for instance, the wing scales and cuticles of insects. Currently there is a large interest to explore such functional supramolecular architectures for exploitation in nanotechnology. In this study, Mueller-matrix spectroscopic ellipsometry is applied in the spectral range of 250 to 1000 nm to investigate optical response and structures of the cuticle of Scarab beetles of the Cetoniinae subfamily. The cuticle of Cetonia aurata (the rose chafer, la cétoine dorée is green with a metallic appearance and reflects left-handed circular/elliptically polarized light. It has been suggested that the polarization of this metallic gloss is caused by a helical structure in the chitinous cuticle. We find that the polarization effect is limited to the narrow spectral range 470-550 nm whereas for shorter or longer wavelengths the reflection properties are similar to those from a near-dielectric material. Model calculations and parameterization of the nanostructure employing a heliocoidal structure are discussed. As a comparison the polarization effects from light reflected from two other beetles will be presented. Coptomia laevis has a similar appearance as Cetonia aurata but has very different polarization properties. The golden Plusiotis argentiola has very interesting properties showing both left and right-handed polarization depending on incidence angle and wavelength.

  17. Spectroscopic ellipsometry characterization of nano-crystalline diamondfilms prepared at various substrate temperatures and pulsed plasma frequencies using microwave plasma enhanced chemical vapor deposition apparatus with linear antenna delivery

    Czech Academy of Sciences Publication Activity Database

    Mistrík, J.; Janíček, P.; Taylor, Andrew; Fendrych, František; Fekete, Ladislav; Jäger, Aleš; Nesládek, M.

    2014-01-01

    Roč. 571, č. 1 (2014), s. 230-237 ISSN 0040-6090 R&D Projects: GA ČR GA13-31783S; GA MŠk(CZ) LM2011026 Grant - others: COST Nano TP(XE) MP0901; OP VK(XE) CZ.1.07/2.3.00/20.0306 Institutional support: RVO:68378271 Keywords : nanocrystalline diamond * thin films * microwave plasma-enhanced chemical vapor deposition * pulsed plasma * low deposition temperature Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.759, year: 2014

  18. X-ray micro-beam characterization of a small pixel spectroscopic CdTe detector

    Science.gov (United States)

    Veale, M. C.; Bell, S. J.; Seller, P.; Wilson, M. D.; Kachkanov, V.

    2012-07-01

    A small pixel, spectroscopic, CdTe detector has been developed at the Rutherford Appleton Laboratory (RAL) for X-ray imaging applications. The detector consists of 80 × 80 pixels on a 250 μm pitch with 50 μm inter-pixel spacing. Measurements with an 241Am γ-source demonstrated that 96% of all pixels have a FWHM of better than 1 keV while the majority of the remaining pixels have FWHM of less than 4 keV. Using the Diamond Light Source synchrotron, a 10 μm collimated beam of monochromatic 20 keV X-rays has been used to map the spatial variation in the detector response and the effects of charge sharing corrections on detector efficiency and resolution. The mapping measurements revealed the presence of inclusions in the detector and quantified their effect on the spectroscopic resolution of pixels.

  19. Characterization of intact subcellular bodies in whole bacteria by cryo-electron tomography and spectroscopic imaging.

    Science.gov (United States)

    Comolli, L R; Kundmann, M; Downing, K H

    2006-07-01

    We illustrate the combined use of cryo-electron tomography and spectroscopic difference imaging in the study of subcellular structure and subcellular bodies in whole bacteria. We limited our goal and focus to bodies with a distinct elemental composition that was in a sufficiently high concentration to provide the necessary signal-to-noise level at the relatively large sample thicknesses of the intact cell. This combination proved very powerful, as demonstrated by the identification of a phosphorus-rich body in Caulobacter crescentus. We also confirmed the presence of a body rich in carbon, demonstrated that these two types of bodies are readily recognized and distinguished from each other, and provided, for the first time to our knowledge, structural information about them in their intact state. In addition, we also showed the presence of a similar type of phosphorus-rich body in Deinococcus grandis, a member of a completely unrelated bacteria genus. Cryo-electron microscopy and tomography allowed the study of the biogenesis and morphology of these bodies at resolutions better than 10 nm, whereas spectroscopic difference imaging provided a direct identification of their chemical composition.

  20. Crystal growth and spectroscopic characterization of Yb3+:LiTaO3

    International Nuclear Information System (INIS)

    Gruber, John B.; Allik, Toomas H.; Sardar, Dhiraj K.; Yow, Raylon M.; Scripsick, Michael; Wechsler, Barry

    2006-01-01

    Spectroscopic properties are presented for Yb 3+ incorporated into single crystals of LiTaO 3 grown by the top-seeded solution growth method. From an analysis of the absorption and fluorescence spectra, we are able to determine the Stark-level components of the 2 F 7/2 (the ground-state multiplet manifold) and the 2 F 5/2 (the excited-state multiplet manifold of Yb 3+ (4f 13 )). The room-temperature fluorescence lifetime of 2 F 5/2 is 678μs as measured on a thin sample to reduce possibilities for reabsorption. Spectral comparisons of Yb 3+ -doped LiTaO 3 and LiNbO 3 are drawn. The crystal-field splitting of Yb 3+ (4f 13 ) in both crystal hosts is modeled using a set of crystal-field splitting parameters, B nm , determined from a recent spectroscopic analysis of Er 3+ (4f 11 ) in LiNbO 3 . Without adjustment of the B nm parameters, the model predicts the Stark-level energy and the symmetry label for each level in reasonable agreement with the experimental values. Less photorefractive than its niobate cousin, LiTaO 3 has potential for use in numerous integrated electro-optical circuits and devices

  1. Photochemistry of fluorinated 4-iodophenylnitrenes: matrix isolation and spectroscopic characterization of phenylnitrene-4-yls.

    Science.gov (United States)

    Grote, Dirk; Sander, Wolfram

    2009-10-02

    The photochemistry of a series of fluorinated p-iodophenyl azides 2 has been investigated using matrix isolation IR and EPR spectroscopy. In all cases, the corresponding phenylnitrenes 1 were formed as primary photoproducts. Further irradiation of the nitrenes 1 resulted in the formation of azirines 3, ketenimines 4, and nitreno radicals 5. The yield of 5 depends on the number of ortho fluorine substituents: with two ortho fluorine atoms the highest yield is observed, whereas without fluorine atoms the yield is too low for IR spectroscopic detection. The interconversion between the isomers 1, 3, and 4 proved to be rather complex. If the fluorine atoms are distributed unsymmetrically, two isomers of azirines 3 and ketenimines 4 can be formed. The yields of these isomers depend critically on the irradiation conditions.

  2. Synthesis, spectroscopic, and molecular structure characterizations of some azo derivatives of 2-hydroxyacetophenone

    Science.gov (United States)

    Albayrak, Çiğdem; Gümrükçüoğlu, İsmail E.; Odabaşoğlu, Mustafa; İskeleli, Nazan Ocak; Ağar, Erbil

    2009-08-01

    Some novel azo compounds were prepared by the reaction of 2-hydroxyacetophenone with aniline and its substituted derivatives. The structures of synthesized azo compounds were determined by IR, UV-Vis, 1H NMR and 13C NMR spectroscopic techniques and the structures of some of these compounds were also determined by X-ray diffraction studies. Structural analysis using IR in solid state shows that the azo form is favoured in the azo compounds whereas UV-Vis analysis of the azo compounds in solution has shown that there is a azo and ionic form. The azo compounds in the basic solvents dimethylformamide (DMF) and dimethylsulfoxide (DMSO) are both azo and ionic form while these compounds in ethyl alcohol (EtOH) and chloroform (CHCl 3) are only azo form.

  3. Physicochemical, spectroscopic and electrochemical characterization of magnesium ion-conducting, room temperature, ternary molten electrolytes

    Science.gov (United States)

    Narayanan, N. S. Venkata; Ashok Raj, B. V.; Sampath, S.

    Room temperature, magnesium ion-conducting molten electrolytes are prepared using a combination of acetamide, urea and magnesium triflate or magnesium perchlorate. The molten liquids show high ionic conductivity, of the order of mS cm -1 at 298 K. Vibrational spectroscopic studies based on triflate/perchlorate bands reveal that the free ion concentration is higher than that of ion-pairs and aggregates in the melt. Electrochemical reversibility of magnesium deposition and dissolution is demonstrated using cyclic voltammetry and impedance studies. The transport number of Mg 2+ ion determined by means of a combination of d.c. and a.c. techniques is ∼0.40. Preliminary studies on the battery characteristics reveal good capacity for the magnesium rechargeable cell and open up the possibility of using this unique class of acetamide-based room temperature molten electrolytes in secondary magnesium batteries.

  4. Spectroscopic Characterization of Aqua [ fac-Tc(CO)3]+ Complexes at High Ionic Strength.

    Science.gov (United States)

    Chatterjee, Sayandev; Hall, Gabriel B; Engelhard, Mark H; Du, Yingge; Washton, Nancy M; Lukens, Wayne W; Lee, Sungsik; Pearce, Carolyn I; Levitskaia, Tatiana G

    2018-06-05

    Understanding fundamental Tc chemistry is important to both the remediation of nuclear waste and the reprocessing of nuclear fuel; however, current knowledge of the electronic structure and spectral signatures of low-valent Tc compounds significantly lags behind the remainder of the d-block elements. In particular, identification and treatment of Tc speciation in legacy nuclear waste is challenging due to the lack of reference data especially for Tc compounds in the less common oxidation states (I-VI). In an effort to establish a spectroscopic library corresponding to the relevant conditions of extremely high ionic strength typical for the legacy nuclear waste, compounds with the general formula of [ fac-Tc(CO) 3 (OH 2 ) 3- n (OH) n ] 1- n (where n = 0-3) were examined by a range of spectroscopic techniques including 99 Tc/ 13 C NMR, IR, XPS, and XAS. In the series of monomeric aqua species, stepwise hydrolysis results in the increase of the Tc metal center electron density and corresponding progressive decrease of the Tc-C bond distances, Tc electron binding energies, and carbonyl stretching frequencies in the order [ fac-Tc(CO) 3 (OH 2 ) 3 ] + > [ fac-Tc(CO) 3 (OH 2 ) 2 (OH)] > [ fac-Tc(CO) 3 (OH 2 )(OH) 2 ] - . These results correlate with established trends of the 99 Tc upfield chemical shift and carbonyl 13 C downfield chemical shift. The lone exception is [ fac-Tc(CO) 3 (OH)] 4 which exhibits a comparatively low electron density at the metal center attributed to the μ 3 -bridging nature of the - OH ligands causing less σ-donation and no π-donation. This work also reports the first observations of these compounds by XPS and [ fac-Tc(CO) 3 Cl 3 ] 2- by XAS. The unique and distinguishable spectral features of the aqua [ fac-Tc(CO) 3 ] + complexes lay the foundation for their identification in the complex aqueous matrixes.

  5. Characterizing the interaction between oridonin and bovine serum albumin by a hybrid spectroscopic approach

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhen [Department of Chemistry, Shantou University, Shantou 515063 (China); Chen, Junhui, E-mail: chenjupush@126.com [Interventional Oncology and Minimally Invasive Therapies Department, Peking University Shenzhen Hospital, Shenzhen 518036 (China); Wang, Shaobin [The Fourth People' s Hospital of Shenzhen, Shenzhen 518033 (China); Chen, Zhanguang, E-mail: kqlu@stu.edu.cn [Department of Chemistry, Shantou University, Shantou 515063 (China)

    2013-02-15

    Oridonin is an effective anticancer drug which has high potency and low systemic toxicity. In this study, the interaction between oridonin and bovine serum albumin (BSA) was investigated by several spectroscopic approaches for the first time. The binding characteristics of oridonin and BSA were determined by fluorescence emission spectra and resonance light scattering spectra. It is showed that the oridonin quenches the fluorescence of BSA and the static quenching constant K{sub SV} is 1.30 Multiplication-Sign 10{sup 4} L mol{sup -1} at 298 K. Moreover, oridonin and BSA form a 1:1 complex with a binding constant of 0.62 Multiplication-Sign 10{sup 4} L mol{sup -1}. On the other hand, the thermodynamic parameters indicate that the binding process was a spontaneous molecular interaction procedure, in which hydrophobic forces played a major role. The structure analysis indicates that oridonin binding results in an increased hydrophobicity around the tryptophan residues of BSA. Additionally, as shown by the UV-vis absorption, synchronous fluorescence and three-dimensional fluorescence results, oridonin could lead to conformational and some microenvironmental changes of BSA. The work provides accurate and full basic data for clarifying the binding mechanism of oridonin with BSA in vitro and is helpful for understanding its effect on protein function during its transportation and distribution in blood. - Highlights: Black-Right-Pointing-Pointer Interaction between oridonin and BSA was evaluated by multi-spectroscopic methods. Black-Right-Pointing-Pointer Binding constant, number of binding sites and thermodynamic parameters were calculated. Black-Right-Pointing-Pointer Oridonin binds to Subdomain II site in BSA and form a 1:1 complex with it. Black-Right-Pointing-Pointer Oridonin-BSA complex is stabilized mainly by hydrophobic force. Black-Right-Pointing-Pointer Oridonin binding induces conformational and microenvironmental changes in BSA.

  6. Temperature dependent optical properties of ZnO thin film using ellipsometry and photoluminescence

    Science.gov (United States)

    Bouzourâa, M.-B.; Battie, Y.; Dalmasso, S.; Zaïbi, M.-A.; Oueslati, M.; En Naciri, A.

    2018-05-01

    We report the temperature dependence of the dielectric function, the exciton binding energy and the electronic transitions of crystallized ZnO thin film using spectroscopic ellipsometry (SE) and photoluminescence (PL). ZnO layers were prepared by sol-gel method and deposited on crystalline silicon (Si) by spin coating technique. The ZnO optical properties were determined between 300 K and 620 K. Rigorous study of optical responses was achieved in order to demonstrate the quenching exciton of ZnO as a function of temperature. Numerical technique named constrained cubic splines approximation (CCS), Tauc-Lorentz (TL) and Tanguy dispersion models were selected for the ellipsometry data modeling in order to obtain the dielectric function of ZnO. The results reveals that the exciton bound becomes widely flattening at 470 K on the one hand, and on the other that the Tanguy dispersion law is more appropriate for determining the optical responses of ZnO thin film in the temperature range of 300 K-420 K. The Tauc-Lorentz, for its part, reproduces correctly the ZnO dielectric function in 470 K-620 K temperature range. The temperature dependence of the electronic transition given by SE and PL shows that the exciton quenching was observed in 420 K-∼520 K temperature range. This quenching effect can be explained by the equilibrium between the Coulomb force of exciton and its kinetic energy in the film. The kinetic energy was found to induce three degrees of freedom of the exciton.

  7. The nitro-reduced metabolite of nimesulide: Crystal structure, spectroscopic characterization, ESI-QTOF mass spectrometric analysis and antibacterial evaluation

    Science.gov (United States)

    Nunes, Julia H. B.; Nakahata, Douglas H.; Lustri, Wilton R.; Corbi, Pedro P.; de Paiva, Raphael E. F.

    2018-04-01

    Here we present a synthetic procedure, spectroscopic characterization and single-crystal X-ray structure for the nitro-reduced metabolite of the anti-inflammatory drug nimesulide, hereby referred to as NMS-NH2. The nitro-reduced metabolite was synthesized using the Béchamp reduction (iron powder under acidic media), leading to the conversion of the nitrobenzene group of nimesulide to an aniline. Mass spectrometry, infrared and nuclear magnetic resonance spectroscopies data are also provided for NMS-NH2, and discussed in comparison to nimesulide. NMS-NH2 was also evaluated in terms of its antibacterial activities, considering that the free sbnd NH2 group could allow the compound to act as a dihydropteroate synthase inhibitor. NMS-NH2 had a modest antibacterial activity against P. aeruginosa (5.0 mg mL-1), which was not observed for NMS.

  8. Electrochemical and Spectroscopic Characterization of Aluminium(III-para-methyl-meso-tetraphenylporphyrin Complexes Containing Substituted Salicylates as Axial Ligands

    Directory of Open Access Journals (Sweden)

    Gauri D. Bajju

    2013-01-01

    Full Text Available A series of aluminium(III-p-methyl-meso-tetraphenylporphyrin (p-CH3TPP-Al(III containing axially coordinated salicylate anion [p-CH3TPP-Al-X], where X = salicylate (SA, 4-chlorosalicylate (4-CSA, 5-chlorosalicylate (5-CSA, 5-flourosalicylate (5-FSA, 4-aminosalicylate (4-ASA, 5-aminosalicylate (5-ASA, 5-nitrosalicylate (5-NSA, and 5-sulfosalicylate (5-SSA, have been synthesized and characterized by various spectroscopic techniques including ultraviolet-visible (UV-vis, infrared (IR spectroscopy, proton nuclear magnetic resonance (1H NMR spectroscopy, 13C NMR, and elemental analysis. A detailed study of electrochemistry of all the synthesized compounds has been done to compare their oxidation and reduction mechanisms and to explain the effect of axial coordination on their redox properties.

  9. Vibrational and chiroptical spectroscopic characterization of gamma-turn model cyclic tetrapeptides containing two beta-Ala residues.

    Science.gov (United States)

    Vass, Elemér; Majer, Zsuzsa; Kohalmy, Krisztina; Hollósi, Miklós

    2010-08-01

    The optical spectroscopic characterization of gamma-turns in solution is uncertain and their distinction from beta-turns is often difficult. This work reports systematic ECD and vibrational circular dichroism (VCD) spectroscopic studies on gamma-turn model cyclic tetrapeptides cyclo(Ala-beta-Ala-Pro-beta-Ala) (1), cyclo(Pro-beta-Ala-Pro-beta-Ala) (2) and cyclo(Ala-beta-Ala-Ala-beta-Ala) (3). Conformational analysis performed at the 6-31G(d)/B3LYP level of theory using an adequate PCM solvent model predicted one predominant conformer for 1-3, featuring two inverse gamma-turns. The ECD spectra in ACN of 1 and 2 are characterized by a negative n-->pi* band near 230 nm and a positive pi-->pi* band below 200 nm with a long wavelength shoulder. The ECD spectra in TFE of 1-3 show similar spectra with blue-shifted bands. The VCD spectra in ACN-d(3) of 1 and 2 show a +/-/+/- amide I sign pattern resulting from four uncoupled vibrations in the case of 1 and a sequence of two positive couplets in the case of 2. A -/+/+/- amide I VCD pattern was measured for 3 in TFE-d(2). All three peptides give a positive couplet or couplet-like feature (+/-) in the amide II region. VCD spectroscopy, in agreement with theoretical calculations revealed that low frequency amide I vibrations (at approximately 1630 cm(-1) or below) are indicative of a C(7) H-bonded inverse gamma-turns with Pro in position 2, while gamma-turns encompassing Ala absorb at higher frequency (above 1645 cm(-1)). Copyright 2010 Wiley-Liss, Inc.

  10. Optical characterization of epitaxial single crystal CdTe thin films on Al{sub 2}O{sub 3} (0001) substrates

    Energy Technology Data Exchange (ETDEWEB)

    Jovanovic, S.M.; Devenyi, G.A., E-mail: devenyga@mcmaster.ca; Jarvis, V.M.; Meinander, K.; Haapamaki, C.M.; Kuyanov, P.; Gerber, M.; LaPierre, R.R.; Preston, J.S.

    2014-11-03

    The optoelectronic properties of single crystal CdTe thin films were investigated by photoluminescence spectroscopy, photoreflectance spectroscopy and variable angle spectroscopic ellipsometry. The room temperature bandgap was measured to be 1.51 eV and was consistent between spectroscopic measurements and previously reported values. Breadth of bandgap emission was consistent with high quality material. Low temperature photoluminescence spectra indicated a dominant emission consistent with bound excitons. Emissions corresponding to self-compensation defects, doping and contaminants were not found. Variable angle spectroscopic ellipsometry measurements over the near-UV to infrared range demonstrated sharp resonance peaks. All spectroscopic measurements indicate high quality thin film material of comparable or better quality than bulk CdTe. - Highlights: • High quality epitaxial CdTe thin films were grown. • Two dimensional X-ray diffraction characterization confirmed single crystal material. • Photoluminescence indicated low defect density when compared to bulk single crystals. • Optical characterization indicated the presence of room temperature excitons.

  11. Crystal growth, spectroscopic characterization and laser performance of Tm/Mg:LiNbO3 crystal

    Science.gov (United States)

    Zhang, P. X.; Yin, J. G.; Zhang, R.; Li, H. Q.; Xu, J. Q.; Hang, Y.

    2014-03-01

    A Tm, Mg co-doped LiNbO3 crystal was grown by the traditional Czochralski method. The room-temperature absorption, photo-luminescence spectra and fluorescence lifetime of Tm3+ ions in the crystal have been investigated. The experimental results show that the co-doped of MgO can lead to the lengthening of the measured fluorescence lifetime of the upper Tm3+:3F4 level. Based on the Judd-Ofelt approach, the intensity parameters Ω2,4,6 of Tm3+ were calculated to be Ω2 (6.29 × 10-20 cm2), Ω4 (0.54 × 10-20 cm2) and Ω6 (0.79 × 10-20 cm2). Other spectroscopic parameters that relate to laser performance were also obtained. Non-photorefractive continuous wave laser operation with a Tm, Mg:LiNbO3 single crystal is demonstrated at room temperature for the first time. We obtained 1.026 W output power at 1.885 μm with a slope efficiency of near 14%, which, to the best of our knowledge, is the largest output power and the highest slope efficiency obtained for this crystal thus far. The output power was observed to be stable, and the crystal showed no sign of photorefractive damage.

  12. Molecular structure and spectroscopic characterization of Carbamazepine with experimental techniques and DFT quantum chemical calculations

    Science.gov (United States)

    Suhasini, M.; Sailatha, E.; Gunasekaran, S.; Ramkumaar, G. R.

    2015-04-01

    A systematic vibrational spectroscopic assignment and analysis of Carbamazepine has been carried out by using FT-IR, FT-Raman and UV spectral data. The vibrational analysis were aided by electronic structure calculations - ab initio (RHF) and hybrid density functional methods (B3LYP) performed with standard basis set 6-31G(d,p). Molecular equilibrium geometries, electronic energies, natural bond order analysis, harmonic vibrational frequencies and IR intensities have been computed. A detailed interpretation of the vibrational spectra of the molecule has been made on the basis of the calculated Potential Energy Distribution (PED) by VEDA program. UV-visible spectrum of the compound was also recorded and the electronic properties, such as HOMO and LUMO energies and λmax were determined by HF/6-311++G(d,p) Time-Dependent method. The thermodynamic functions of the title molecule were also performed using the RHF and DFT methods. The restricted Hartree-Fock and density functional theory-based nuclear magnetic resonance (NMR) calculation procedure was also performed, and it was used for assigning the 13C and 1H NMR chemical shifts of Carbamazepine.

  13. Multi-spectroscopic characterization of bovine serum albumin upon interaction with atomoxetine

    Directory of Open Access Journals (Sweden)

    Arunkumar T. Buddanavar

    2017-06-01

    Full Text Available The quenching interaction of atomoxetine (ATX with bovine serum albumin (BSA was studied in vitro under optimal physiological condition (pH=7.4 by multi-spectroscopic techniques. The mechanism of ATX-BSA system was a dynamic quenching process and was confirmed by the fluorescence spectra and lifetime measurements. The number of binding sites, binding constants and other binding characteristics were computed. Thermodynamic parameters ∆H° and ∆S° indicated that intermolecular hydrophobic forces predominantly stabilized the drug-protein system. The average binding distance between BSA and ATX was studied by Försters theory. UV-absorption, Fourier transform infrared spectroscopy (FT-IR, circular dichroism (CD, synchronous spectra and three-dimensional (3D fluorescence spectral results revealed the changes in micro-environment of secondary structure of protein upon the interaction with ATX. Displacement of site probes and the effects of some common metal ions on the binding of ATX with BSA interaction were also studied.

  14. Viscoelastic, Spectroscopic, and Microscopic Characterization of Novel Bio-Based Plasticized Poly(vinyl chloride Compound

    Directory of Open Access Journals (Sweden)

    Mei Chan Sin

    2014-01-01

    Full Text Available Plasticized poly(vinyl chloride (PVC is one of the most widely consumed commodity plastics. Nevertheless, the commonly used plasticizers, particularly phthalates, are found to be detrimental to the environment and human health. This study aimed to investigate the ability of an alternative greener material, medium-chain-length polyhydroxyalkanoates (mcl-PHA, a kind of biopolyester and its thermally degraded oligoesters, to act as a compatible bioplasticizer for PVC. In this study, mcl-PHA were synthesized by Pseudomonas putida PGA1 in shake flask fermentation using saponified palm kernel oil (SPKO and subsequently moderately thermodegraded to low molecular weight oligoesters (degPHA. SEM, ATR-FTIR, 1H-NMR, and DMA were conducted to study the film morphology, microstructure, miscibility, and viscoelastic properties of the PVC-PHA and PVC/degPHA binary blends. Increased height and sharpness of tan δmax⁡ peak for all binary blends reveal an increase in chain mobility in the PVC matrix and high miscibility within the system. The PVC-PHA miscibility is possibly due to the presence of specific interactions between chlorines of PVC with the C=O group of PHA as evidenced by spectroscopic analyses. Dynamic viscoelastic measurements also showed that mcl-PHA and their oligoesters could reduce the Tg of PVC, imparting elasticity to the PVC compounds and decreasing the stiffness of PVC.

  15. Optical spectroscopic characterization of amorphous germanium carbide materials obtained by X-Ray Chemical Vapor Deposition

    Directory of Open Access Journals (Sweden)

    Paola Antoniotti

    2015-05-01

    Full Text Available Amorphous germanium carbides have been prepared by X-ray activated Chemical Vapor Deposition from germane/allene systems. The allene percentage and irradiation time (total dose were correlated to the composition, the structural features, and the optical coefficients of the films, as studied by IR and UV-VIS spectroscopic techniques. The materials composition is found to change depending on both the allene percentage in the mixture and the irradiation time. IR spectroscopy results indicate that the solids consist of randomly bound networks of carbon and germanium atoms with hydrogen atoms terminating all the dangling bonds. Moreover, the elemental analysis results, the absence of both unsaturated bonds and CH3 groups into the solids and the absence of allene autocondensation reactions products, indicate that polymerization reactions leading to mixed species, containing Ge-C bonds, are favored. Eopt values around 3.5 eV have been found in most of the cases, and are correlated with C sp3-bonding configuration. The B1/2 value, related to the order degree, has been found to be dependent on solid composition, atoms distribution in the material and hydrogenation degree of carbon atoms.

  16. Polarized Raman spectroscopic characterization of normal and oral cancer blood plasma

    Science.gov (United States)

    Pachaiappan, Rekha; Prakasarao, Aruna; Singaravelu, Ganesan

    2017-02-01

    In India oral cancer ranks the top due to the habitual usage of tobacco in its various forms and remains the major burden. Hence priority is given for early diagnosis as it is the better solution for cure or to improve the survival rate. For the past three decades, optical spectroscopic techniques have shown its capacity in the discrimination of normal and malignant samples. Many research works have conventional Raman in the effective detection of cancer using the variations in bond vibrations of the molecules. However in addition polarized Raman provides the orientation and symmetry of biomolecules. If so can polarized Raman be the better choice than the conventional Raman in the detection of cancer? The present study aimed to found the answer for the above query. The conventional and polarized Raman spectra were acquired for the same set of blood plasma samples of normal subjects and oral malignant (OSCC) patients. Thus, obtained Raman spectral data were compared using linear discriminant analysis coupled with artificial neural network (LDA-ANN). The depolarization ratio of biomolecules such as antioxidant, amino acid, protein and nucleic acid bases present in blood plasma was proven to be the best attributes in the categorization of the groups. The polarized Raman results were promising in discriminating oral cancer blood plasma from that of normal blood plasma with improved efficiency. The results will be discussed in detail.

  17. Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study

    Science.gov (United States)

    Hossain, Mossaraf; Thomas, Renjith; Mary, Y. Sheena; Resmi, K. S.; Armaković, Stevan; Armaković, Sanja J.; Nanda, Ashis Kumar; Vijayakumar, G.; Van Alsenoy, C.

    2018-04-01

    Two newly synthetized imidazole derivatives (1-(4-methoxyphenyl)-4,5-dimethyl-1H-imidazole-2-yl acetate (MPDIA) and 1-(4-bromophenyl)-4,5-dimethyl-1H-imidazole-2-yl acetate (BPDIA)) have been prepared by solvent-free synthesis pathway and their specific spectroscopic and reactive properties have been discussed based on combined experimental and computational approaches. Aside of synthesis, experimental part of this work included measurements of IR, FT-Raman and NMR spectra. All of the aforementioned spectra were also obtained computationally, within the framework of density functional theory (DFT) approach. Additionally, DFT calculations have been used in order to investigate local reactivity properties based on molecular orbital theory, molecular electrostatic potential (MEP), average local ionization energy (ALIE), Fukui functions and bond dissociation energy (BDE). Molecular dynamics (MD) simulations have been used in order to obtain radial distribution functions (RDF), which were used for identification of the atoms with pronounced interactions with water molecules. MEP showed negative regions are mainly localized over N28, O29, O35 atoms, it is represent with red colour in rainbow color scheme for MPDIA and BPDIA (which are most reactive sites for electrophilic attack). The first order hyperpolarizabilities of MPDIA and BPDIA are 20.15 and 6.10 times that of the standard NLO material urea. Potential interaction with antihypertensive protein hydrolase.

  18. Growth, structural, spectroscopic and optical characterization of barium doped calcium tartrate

    Science.gov (United States)

    Verma, Seema; Raina, Bindu; Gupta, Vandana; Bamzai, K. K.

    2018-05-01

    Barium doped calcium tartrates synthesized by controlled diffusion using silica gel technique at ambient temperature was characterized by single crystal X-ray diffraction which establishes monoclinic crystal system with volume of the unit cell 923.97(10) Ǻ3 and the space group being P21. UV - Vis characterization gives various linear optical constants like absorption, transmittance, reflectance, band gap, extinction coefficient, urbach energy, complex dielectric constant, optical and electrical conductivity. These constants are considered to be essential in characterizing materials that are used in various applications like fabrication of optoelectronic devices. FTIR spectrum establishes the presence of various bands of functional groups expected from metal tartrate with water of crystallization.

  19. SECTIONING METHOD APPLICATION AT ELLIPSOMETRY OF INHOMOGENEOUS REFLECTION SYSTEMS

    Directory of Open Access Journals (Sweden)

    A. N. Gorlyak

    2014-05-01

    Full Text Available The paper deals with investigation of application peculiarities of ellipsometry methods and UF spectrophotometry at mechanical and chemical processing of optical engineering surface elements made of quartz glass. Ellipsometer LEF–3M–1, spectrophotometer SF–26 and interferometer MII–4 are used as experiment tools; they obtain widely known technical characteristics. Polarization characteristics of reflected light beam were measured by ellipsometry method; spectrophotometry method was used for measuring radiation transmission factor in UF spectrum area; by interference method surface layer thickness at quartz glass etching was measured. A method for HF–sectioning of inhomogeneous surface layer of polished quartz glass is developed based on ellipsometry equation for reflection system «inhomogeneous layer – inhomogeneous padding». The method makes it possible to carry out the measuring and analysis of optical characteristics for inhomogeneous layers system on inhomogeneous padding and to reconstruct optical profile of surface layers at quartz glass chemical processing. For definition of refractive index change along the layer depth, approximation of experimental values for polarization characteristics of homogeneous layers system is used. Inhomogeneous surface layer of polished quartz glass consists of an area (with thickness up to 20 nm and layer refractive index less than refractive index for quartz glass and an area (with thickness up to 0,1 μm and layer refractive index larger than refractive index for quartz glass. Ellipsometry and photometry methods are used for definition of technological conditions and optical characteristics of inhomogeneous layers at quartz glass chemical processing for optical elements with minimum radiation losses in UF spectrum area.

  20. Synthesis, spectroscopic characterization, crystallographic studies and antibacterial assays of new copper(II) complexes with sulfathiazole and nimesulide

    Science.gov (United States)

    Nunes, Julia Helena Bormio; de Paiva, Raphael Enoque Ferraz; Cuin, Alexandre; da Costa Ferreira, Ana Maria; Lustri, Wilton Rogério; Corbi, Pedro Paulo

    2016-05-01

    New ternary copper(II) complexes of sulfathiazole (SFT, C9H8N3O2S2) or nimesulide (NMS, C13H11N2O5S) and 2,2‧-bipyridine (bipy) were synthesized, and characterized by chemical and spectroscopic techniques. Elemental analyses indicated a 2:1:1 sulfonamide/copper/bipy composition for both complexes. Mass spectrometric measurements permitted identifying the molecular ions [Cu(SFT)2(bipy)+H]+ and [Cu(NMS)2(bipy)+H]+ at m/z 728 and 835, respectively, confirming the proposed compositions. Crystal structure of the [Cu(SFT)2(bipy)] complex was solved by powder X-ray diffraction analysis (PXRD), attesting that the Cu(II) ion is hexacoordinated in a distorted octahedral geometry. Each SFT molecule coordinates to the metal ion by the nitrogen atoms of the SO2-N group and of the heterocyclic ring. The coordination sphere is completed by a bipyridine. Electronic paramagnetic resonance (EPR) studies were carried out for the [Cu(NMS)2(bipy)] complex, indicating a tetragonal environment around the metal ion. It was suggested that NMS coordinates to Cu(II) by the nitrogen and oxygen atoms of the SO2-N group, which was confirmed by infrared spectroscopic studies. Biological studies showed the antibacterial activity of both Cu-SFT and Cu-NMS complexes, with the minimum inhibitory concentration (MIC) values ranging from 0.10 to 0.84 mmol L-1 against Gram-negative bacteria for [Cu(SFT)2(bipy)], and from 1.50 to 3.00 mmol L-1 against Gram-positive and -negative bacteria for [Cu(NMS)2(bipy)].

  1. Structural insights, protein-ligand interactions and spectroscopic characterization of isoformononetin

    Science.gov (United States)

    Srivastava, Anubha; Singh, Harshita; Mishra, Rashmi; Dev, Kapil; Tandon, Poonam; Maurya, Rakesh

    2017-04-01

    Isoformononetin, a methoxylated isoflavone present in medicinal plants, has non-estrogenic bone forming effect via differential mitogen-activated protein kinase (MAPK) signaling. Spectroscopic (FT-Raman, FT-IR, UV-vis and NMR spectra) and quantum chemical calculations using density functional theory (DFT) and 6-311++G(d,p) as a large basis set have been employed to study the structural and electronic properties of isoformononetin. A detailed conformational analysis is performed to determine the stability among conformers and the various possibilities of intramolecular hydrogen bonding formation. Molecular docking studies with different protein kinases were performed on isoformononetin and previously studied isoflavonoid, formononetin in order to understand their inhibitory nature and the effect of functional groups on osteogenic or osteoporosis associated proteins. It is found that the oxygen atoms of methoxy, hydroxyl groups attached to phenyl rings R1, R3 and carbonyl group attached to pyran ring R2, play a major role in binding with the protein kinases that is responsible for the osteoporosis; however, no hydrophobic interactions are observed between rings of ligand and protein. The electronic properties such as HOMO and LUMO energies were determined by time-dependent TD-DFT which predict that conformer II is a little bit more stable and chemically low reactive than conformer I of isoformononetin. To estimate the structure-activity relationship, the molecular electrostatic potential (MEP) surface map, and reactivity descriptors are calculated from the optimized geometry of the molecule. From these results, it is also found that isoformononetin is kinetically more stable, less toxic, weak electrophile and chemically less reactive than formononetin. The atoms in molecules and natural bond orbital analysis are applied for the detailed analysis of intra and intermolecular hydrogen bonding interactions.

  2. Theoretical spectroscopic characterization at low temperatures of S-methyl thioformate and O-methyl thioformate

    International Nuclear Information System (INIS)

    Senent, M. L.; Puzzarini, C.; Hochlaf, M.; Domínguez-Gómez, R.; Carvajal, M.

    2014-01-01

    Highly correlated ab initio methods are employed to determine spectroscopic properties at low temperatures of two S-analogs of methyl formate: S-methyl thioformate CH 3 -S-CHO (MSCHO) and O-methyl thioformate CH 3 -O-CHS (MOCHS). Both species are detectable and they are expected to play an important role in Astrochemistry. Molecular properties are compared with those of the O-analog, methyl formate. Both isomers present two conformers cis and trans. cis-CH 3 -S-CHO represents the most stable structure lying 4372.2 cm −1 below cis-CH 3 -O-CHS. The energy difference between the cis and trans forms is drastically lower for MSCHO (1134 cm −1 ) than for MOCHS (1963.6 cm −1 ). Harmonic and anharmonic fundamentals and the corresponding intensities, as well as the rotational constants for the ground vibrational and first excited torsional states and the centrifugal distortions constants, are provided. Low torsional energy levels have been obtained by solving variationally a two dimensional Hamiltonian expressed in terms of the two torsional degrees of freedom. The corresponding 2D potential energy surfaces have been computed at the CCSD(T)/aug-cc-pVTZ level of theory. The methyl torsional barriers V 3 (cis) are determined to be 139.7 cm −1 (CH 3 -S-CHO) and 670.4 cm −1 (CH 3 -O-CHS). The A/E splitting of ground torsional state has been estimated to be 0.438 cm −1 for CH 3 -S-CHO and negligible for CH 3 -O-CHS

  3. Characterizing the Cloud Decks of Luhman 16AB with Medium-resolution Spectroscopic Monitoring

    Energy Technology Data Exchange (ETDEWEB)

    Kellogg, Kendra; Metchev, Stanimir [The University of Western Ontario, Centre for Planetary and Space Exploration, 1151 Richmond Street, London, ON N6A 3K7 (Canada); Heinze, Aren [Institute for Astronomy, 2680 Woodlawn Drive, Honolulu, HI 96822-1839 (United States); Gagné, Jonathan [Carnegie Institution of Washington DTM, 5241 Broad Branch Road NW, Washington, DC 20015 (United States); Kurtev, Radostin, E-mail: kkellogg@uwo.ca, E-mail: smetchev@uwo.ca [Instituto de Física y Astronomía, Facultad de Ciencias, Universidad de Valparaíso, Ave. Gran Bretaña 1111, Playa Ancha, Casilla 53, Valparaíso (Chile)

    2017-11-01

    We present results from a two-night R ∼ 4000 0.9–2.5 μ m spectroscopic monitoring campaign of Luhman 16AB (L7.5 + T0.5). We assess the variability amplitude as a function of pressure level in the atmosphere of Luhman 16B: the more variable of the two components. The amplitude decreases monotonically with decreasing pressure, indicating that the source of variability—most likely patchy clouds—lies in the lower atmosphere. An unexpected result is that the strength of the K i absorption is higher in the faint state of Luhman 16B and lower in the bright state. We conclude that either the abundance of K i increases when the clouds roll in, potentially because of additional K i in the cloud itself, or that the temperature–pressure profile changes. We reproduce the change in K i absorption strengths with combinations of spectral templates to represent the bright and the faint variability states. These are dominated by a warmer L8 or L9 component, with a smaller contribution from a cooler T1 or T2 component. The success of this approach argues that the mechanism responsible for brown dwarf variability is also behind the diverse spectral morphology across the L-to-T transition. We further suggest that the L9–T1 part of the sequence represents a narrow but random ordering of effective temperatures and cloud fractions, obscured by the monotonic progression in methane absorption strength.

  4. Theoretical spectroscopic characterization at low temperatures of S-methyl thioformate and O-methyl thioformate

    Energy Technology Data Exchange (ETDEWEB)

    Senent, M. L., E-mail: senent@iem.cfmac.csic.es [Departamento de Química y Física Teóricas, Instituto de Estructura de la Materia, IEM-C.S.I.C., Serrano 121, Madrid 28006 (Spain); Puzzarini, C., E-mail: cristina.puzzarini@unibo.it [Dipartimento di Chimica G. Ciamician, Università di Bologna, Via F. Selmi 2, I-40126 Bologna (Italy); Hochlaf, M., E-mail: hochlaf@univ-mlv.fr [Laboratoire de Modélisation et Simulation Multi Echelle, Université Paris-Est, MSME UMR 8208 CNRS, 5 boulevard Descartes, 77454 Marne-la-Vallée (France); Domínguez-Gómez, R., E-mail: rosa.dominguez@upm.es [Departamento de Ingeniería Civil, Cátedra de Química, E.U.I.T. Obras Públicas, Universidad Politécnica de Madrid, Madrid (Spain); Carvajal, M., E-mail: miguel.carvajal@dfa.uhu.es [Departamento de Física Aplicada, Facultad de Ciencias Experimentales, Unidad Asociada IEM-CSIC-U.Huelva, Universidad de Huelva, 21071 Huelva (Spain)

    2014-09-14

    Highly correlated ab initio methods are employed to determine spectroscopic properties at low temperatures of two S-analogs of methyl formate: S-methyl thioformate CH{sub 3}-S-CHO (MSCHO) and O-methyl thioformate CH{sub 3}-O-CHS (MOCHS). Both species are detectable and they are expected to play an important role in Astrochemistry. Molecular properties are compared with those of the O-analog, methyl formate. Both isomers present two conformers cis and trans. cis-CH{sub 3}-S-CHO represents the most stable structure lying 4372.2 cm{sup −1} below cis-CH{sub 3}-O-CHS. The energy difference between the cis and trans forms is drastically lower for MSCHO (1134 cm{sup −1}) than for MOCHS (1963.6 cm{sup −1}). Harmonic and anharmonic fundamentals and the corresponding intensities, as well as the rotational constants for the ground vibrational and first excited torsional states and the centrifugal distortions constants, are provided. Low torsional energy levels have been obtained by solving variationally a two dimensional Hamiltonian expressed in terms of the two torsional degrees of freedom. The corresponding 2D potential energy surfaces have been computed at the CCSD(T)/aug-cc-pVTZ level of theory. The methyl torsional barriers V{sub 3}(cis) are determined to be 139.7 cm{sup −1} (CH{sub 3}-S-CHO) and 670.4 cm{sup −1} (CH{sub 3}-O-CHS). The A/E splitting of ground torsional state has been estimated to be 0.438 cm{sup −1} for CH{sub 3}-S-CHO and negligible for CH{sub 3}-O-CHS.

  5. Characterizing the Cloud Decks of Luhman 16AB with Medium-resolution Spectroscopic Monitoring

    International Nuclear Information System (INIS)

    Kellogg, Kendra; Metchev, Stanimir; Heinze, Aren; Gagné, Jonathan; Kurtev, Radostin

    2017-01-01

    We present results from a two-night R ∼ 4000 0.9–2.5 μ m spectroscopic monitoring campaign of Luhman 16AB (L7.5 + T0.5). We assess the variability amplitude as a function of pressure level in the atmosphere of Luhman 16B: the more variable of the two components. The amplitude decreases monotonically with decreasing pressure, indicating that the source of variability—most likely patchy clouds—lies in the lower atmosphere. An unexpected result is that the strength of the K i absorption is higher in the faint state of Luhman 16B and lower in the bright state. We conclude that either the abundance of K i increases when the clouds roll in, potentially because of additional K i in the cloud itself, or that the temperature–pressure profile changes. We reproduce the change in K i absorption strengths with combinations of spectral templates to represent the bright and the faint variability states. These are dominated by a warmer L8 or L9 component, with a smaller contribution from a cooler T1 or T2 component. The success of this approach argues that the mechanism responsible for brown dwarf variability is also behind the diverse spectral morphology across the L-to-T transition. We further suggest that the L9–T1 part of the sequence represents a narrow but random ordering of effective temperatures and cloud fractions, obscured by the monotonic progression in methane absorption strength.

  6. Synthesis, spectroscopic, structural and thermal characterizations of vanadyl(IV) adenine complex prospective as antidiabetic drug agent

    Science.gov (United States)

    El-Megharbel, Samy M.; Hamza, Reham Z.; Refat, Moamen S.

    2015-01-01

    The vanadyl(IV) adenine complex; [VO(Adn)2]ṡSO4; was synthesized and characterized. The molar conductivity of this complex was measured in DMSO solution that showed an electrolyte nature. Spectroscopic investigation of the green solid complex studied here indicate that the adenine acts as a bidentate ligand, coordinated to vanadyl(IV) ions through the nitrogen atoms N7 and nitrogen atom of amino group. Thus, from the results presented the vanadyl(IV) complex has square pyramid geometry. Further characterizations using thermal analyses and scanning electron techniques was useful. The aim of this paper was to introduce a new drug model for the diabetic complications by synthesized a novel mononuclear vanadyl(IV) adenine complex to mimic insulin action and reducing blood sugar level. The antidiabetic ability of this complex was investigated in STZ-induced diabetic mice. The results suggested that VO(IV)/adenine complex has antidiabetic activity, it improved the lipid profile, it improved liver and kidney functions, also it ameliorated insulin hormone and blood glucose levels. The vanadyl(IV) complex possesses an antioxidant activity and this was clear through studying SOD, CAT, MDA, GSH and methionine synthase. The current results support the therapeutic potentiality of vanadyl(IV)/adenine complex for the management and treatment of diabetes.

  7. Spectroscopic and nonlinear photophysical characterization of organic octupolar-compounds supported by anodic-alumina nanotube-arrays

    International Nuclear Information System (INIS)

    Morales-Saavedra, O.G.; Ontiveros-Barrera, F.G.; Hennrich, G.; Mata-Zamora, M.E.; Rodriguez-Rosales, A.A.; Banuelos, J.G.

    2011-01-01

    Highlights: → Preparation of organic-inorganic nanostructured hybrid materials. → Insertion of octupolar compounds in alumina nanotube arrays. → Linear and nonlinear photophysical characterization of solid-state hybrid structures. → Fabrication of photonic materials. - Abstract: Amorphous anodic alumina membranes (AAM) comprising highly ordered nanometric porous arrays (porous anodic aluminas: PAA) with 1D-nanotube dimensions of ∼75 nm in diameter and 45 microns in depth were successfully prepared and used as nanostructured host networks for different functionalized octupolar chromophores (named here Oct-(n)). Atomic force microscopy (AFM) studies performed on the developed hybrid systems confirmed a homogeneous insertion of these organic molecules into the PAA nanotube-arrays. Samples with high structural quality were selected for several photophysical characterizations: Comprehensive X-ray diffraction (XRD) and optical spectroscopic characterizations performed according to UV-vis absorption, photoluminescent (PL) and Raman measurements revealed the structural and optical performance of these molecules within the PAA-confinement. Since the implemented optical chromophores were specifically functionalized for nonlinear optical (NLO) applications, the obtained Oct-(n)/PAA-based amorphous hybrids were also characterized according to cubic NLO-techniques such as third harmonic generation (THG) and the Z-Scan method. PAA-confined octupolar chromophores have shown interesting linear and NLO optical properties which have not yet been intensively investigated in bulk hybrid systems; hence, the obtained hybrid nanostructures represent a promising field of investigation in the route to functional octupolar-based materials, where different self-assembled molecular structures may be formed, giving rise to enhanced linear and NLO-properties.

  8. Fabrication of calix[4]pyrrole nanofilms at the glassy carbon surface and their characterization by spectroscopic, optic and electrochemical methods

    International Nuclear Information System (INIS)

    Taner, Bilge; Ozcan, Emine; Ustuendag, Zafer; Keskin, Selda; Solak, Ali Osman; Eksi, Haslet

    2010-01-01

    meso-Octamethylcalix[4]pyrrole (CP) and meso-heptaethylcalix[4]pyrrole-meso-4-aminophenyl (4APCP) modified glassy carbon (GC) electrodes were prepared by the electrochemical oxidation in acetonitrile solution. Binding of the calix[4]pyrroles with the glassy carbon surface was investigated that it is through the etheric linkage revealed from the reflection-absorption infrared spectroscopy (RAIRS). Surface films of CP and 4APCP were investigated by cyclic voltammetry (CV), ellipsometry, X-ray photoelectron spectroscopy, RAIRS and the contact angle measurements. The thicknesses of the films were determined by ellipsometry which confirmed that the film was multilayer and homogeneous over the surface. Ellipsometric measurements also provided that the CP and 4APCP film thicknesses were 2.49 nm and 4.58 nm for 6 CV cycle modification, corresponding to 66 μF/cm 2 and 106 μF/cm 2 capacitances obtained by CV. The wetting behavior was examined by contact angle measurements and found that the hydrophobicity of the GC-4APCP surface was higher than that of GC-CP, probably due to the aromatic meso substituent present in the former.

  9. Fabrication of calix[4]pyrrole nanofilms at the glassy carbon surface and their characterization by spectroscopic, optic and electrochemical methods

    Energy Technology Data Exchange (ETDEWEB)

    Taner, Bilge; Ozcan, Emine [Selcuk University, Faculty of Science, Dept. of Chemistry, Konya (Turkey); Ustuendag, Zafer [Dumlupinar University, Faculty of Arts and Sciences, Dept. of Chemistry, Kuetahya (Turkey); Keskin, Selda [Middle East Technical University, Central Research Laboratory, Ankara (Turkey); Solak, Ali Osman, E-mail: osolak@science.ankara.edu.t [Ankara University, Faculty of Science, Department of Chemistry, Ankara (Turkey); Eksi, Haslet [Ankara University, Faculty of Science, Department of Chemistry, Ankara (Turkey)

    2010-10-29

    meso-Octamethylcalix[4]pyrrole (CP) and meso-heptaethylcalix[4]pyrrole-meso-4-aminophenyl (4APCP) modified glassy carbon (GC) electrodes were prepared by the electrochemical oxidation in acetonitrile solution. Binding of the calix[4]pyrroles with the glassy carbon surface was investigated that it is through the etheric linkage revealed from the reflection-absorption infrared spectroscopy (RAIRS). Surface films of CP and 4APCP were investigated by cyclic voltammetry (CV), ellipsometry, X-ray photoelectron spectroscopy, RAIRS and the contact angle measurements. The thicknesses of the films were determined by ellipsometry which confirmed that the film was multilayer and homogeneous over the surface. Ellipsometric measurements also provided that the CP and 4APCP film thicknesses were 2.49 nm and 4.58 nm for 6 CV cycle modification, corresponding to 66 {mu}F/cm{sup 2} and 106 {mu}F/cm{sup 2} capacitances obtained by CV. The wetting behavior was examined by contact angle measurements and found that the hydrophobicity of the GC-4APCP surface was higher than that of GC-CP, probably due to the aromatic meso substituent present in the former.

  10. Accurate spectroscopic characterization of ethyl mercaptan and dimethyl sulfide isotopologues: a route toward their astrophysical detection

    Energy Technology Data Exchange (ETDEWEB)

    Puzzarini, C. [Dipartimento di Chimica, " Giacomo Ciamician," Università diBologna, Via F. Selmi 2, I-40126 Bologna (Italy); Senent, M. L. [Departamento de Química y Física Teóricas, Institsuto de Estructura de la Materia, IEM-C.S.I.C., Serrano 121, Madrid E-28006 (Spain); Domínguez-Gómez, R. [Doctora Vinculada IEM-CSIC, Departamento de Ingeniería Civil, Cátedra de Química, E.U.I.T. Obras Públicas, Universidad Politécnica de Madrid (Spain); Carvajal, M. [Departamento de Física Aplicada, Facultad de Ciencias Experimentales, Unidad Asociada IEM-CSIC-U.Huelva, Universidad de Huelva, E-21071 Huelva (Spain); Hochlaf, M. [Université Paris-Est, Laboratoire de Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 boulevard Descartes, F-77454 Marne-la-Vallée (France); Al-Mogren, M. Mogren, E-mail: cristina.puzzarini@unibo.it, E-mail: senent@iem.cfmac.csic.es, E-mail: rosa.dominguez@upm.es, E-mail: miguel.carvajal@dfa.uhu.es, E-mail: majdi.hochlaf@u-pem.fr, E-mail: mmogren@ksu.edu.sa [Chemistry Department, Faculty of Science, King Saud University, PO Box 2455, Riyadh 11451 (Saudi Arabia)

    2014-11-20

    Using state-of-the-art computational methodologies, we predict a set of reliable rotational and torsional parameters for ethyl mercaptan and dimethyl sulfide monosubstituted isotopologues. This includes rotational, quartic, and sextic centrifugal-distortion constants, torsional levels, and torsional splittings. The accuracy of the present data was assessed from a comparison to the available experimental data. Generally, our computed parameters should help in the characterization and the identification of these organo-sulfur molecules in laboratory settings and in the interstellar medium.

  11. X-ray spectroscopic characterization of laser produced hot dense plasmas

    International Nuclear Information System (INIS)

    Kontogiannopoulos, N.

    2007-12-01

    In this work we performed experiments of emission and absorption spectroscopy of laser produced plasmas, to provide well characterized spectral data which permit to benchmark atomic physics codes. More precisely, we produced xenon and krypton plasmas in NLTE (non local thermodynamic equilibrium) conditions and studied their emission spectra. In a second experiment, we characterized the absorption spectra of zinc sulfide and aluminium plasmas in LTE (local thermodynamic equilibrium) conditions.The first two chapters give an outline of the theory involved in the study of the emission and absorption plasma spectroscopy. Chapter 1 describes the different atomic processes occurring in a plasma. The LTE and the NLTE statistics ruling the equilibrium of the atomic processes are presented. Then, we give a brief description of the different codes of plasma atomic physics used in the analysis of our experimental data, namely HULLAC, SCO and TRANSPEC/AVERROES. In Chapter 2 the macroscopic theory of the radiation transport through a plasma is given. We describe also the self-similar model of Basko and the view factor approach, which permits us to calculate the heating conditions of the absorption foils achieved in the interior of the spherical gold cavity. Chapter 3 gives a description of the instruments used for realizing the two experiments, as well as the technical characteristics of the LULI2000 laser facility used to perform the experiments. Chapter 4 presents the experiment realized to characterize the emission spectra of the xenon and krypton plasmas in NLTE, as well the analysis of the experimental data with TRANSPEC/AVERROES. Finally, the experiment for measuring the absorption spectrum of the ZnS plasma mixture and the analysis of the experimental data with the code SCO are given in Chapter 5

  12. Synthesis and spectroscopic characterization of a fluorescent pyrrole derivative containing electron acceptor and donor groups

    Science.gov (United States)

    Almeida, A. K. A.; Monteiro, M. P.; Dias, J. M. M.; Omena, L.; da Silva, A. J. C.; Tonholo, J.; Mortimer, R. J.; Navarro, M.; Jacinto, C.; Ribeiro, A. S.; de Oliveira, I. N.

    2014-07-01

    The synthesis and fluorescence characterization of a new pyrrole derivative (PyPDG) containing the electron donor-acceptor dansyl substituent is reported. The effects of temperature and solvent polarity on the steady-state fluorescence of this compound are investigated. Our results show that PyPDG exhibits desirable fluorescent properties which makes it a promising candidate to be used as the photoactive material in optical thermometry and thermography applications. Further, the electrochemical and emission properties of polymeric films obtained from the oxidation polymerization of PyPDG are also analyzed.

  13. In situ photoelectrochemistry and Raman spectroscopic characterization on the surface oxide film of nickel electrode in 30 wt.% KOH solution

    International Nuclear Information System (INIS)

    Nan Junmin; Yang Yong; Lin Zugeng

    2006-01-01

    The oxide films of nickel electrode formed in 30 wt.% KOH solution under potentiodynamic conditions were characterized by means of electrochemical, in situ PhotoElectrochemistry Measurement (PEM) and Confocal Microprobe Raman spectroscopic techniques. The results showed that a composite oxide film was produced on nickel electrode, in which aroused cathodic or anodic photocurrent depending upon polarization potentials. The cathodic photocurrent at -0.8 V was raised from the amorphous film containing nickel hydroxide and nickel monoxide, and mainly attributed to the formation of NiO through the separation of the cavity and electron when laser light irradiates nickel electrode. With the potential increasing to more positive values, Ni 3 O 4 and high-valence nickel oxides with the structure of NiO 2 were formed successively. The composite film formed in positive potential aroused anodic photocurrent from 0.33 V. The anodic photocurrent was attributed the formation of oxygen through the cavity reaction with hydroxyl on solution interface. In addition, it is demonstrated that the reduction resultants of high-valence nickel oxides were amorphous, and the oxide film could not be reduced completely. A stable oxide film could be gradually formed on the surface of nickel electrode with the cycling and aging in 30 wt.% KOH solution

  14. Characterization and spectroscopic studies of multi-component calcium zinc bismuth phosphate glass ceramics doped with iron ions

    Science.gov (United States)

    Kumar, A. Suneel; Narendrudu, T.; Suresh, S.; Ram, G. Chinna; Rao, M. V. Sambasiva; Tirupataiah, Ch.; Rao, D. Krishna

    2018-04-01

    Glass ceramics with the composition 10CaF2-20ZnO-(15-x)Bi2O3-55P2O5:x Fe2O3(0≤x≤2.5) were synthesized by melt-quenching technique and heat treatment. These glass ceramics were characterized by XRD and SEM. Spectroscopic studies such as optical absorption, EPR were also carried out on these glass ceramics. From the absorption spectra the observed bands around 438 and 660nm are the octahedral transitions of Fe3+ (d5) ions and another band at about 536 nm is the tetrahedral transition of Fe3+ (d5) ions. The absorption spectrum also consist of a band around 991 nm and is attributed to the octahedral transition of Fe2+ ions. The EPR spectra of the prepared glass ceramics have exhibited two resonance signals one at g1=4.32 and another signal at g2=2.008. The observed decrease in band gap energy up to 2 mol% Fe2O3 doped glass ceramics is an evidence for the change of environment around iron ions and ligands from more covalent to less covalent (ionic) and induces higher concentration of NBOs which causes the depolymerization of the glass ceramic network.

  15. Absorption and emission spectroscopic characterization of BLUF protein Slr1694 from Synechocystis sp. PCC6803 with roseoflavin cofactor.

    Science.gov (United States)

    Zirak, P; Penzkofer, A; Mathes, T; Hegemann, P

    2009-11-09

    The wild-type BLUF protein Slr1694 from Synechocystis sp. PCC6803 (BLUF=blue-light sensor using FAD) has flavin adenosine dinucleotide (FAD) as natural cofactor. This light sensor causes positive phototaxis of the marine cyanobacterium. In this study the FAD cofactor of the wild-type Slr1694 was replaced by roseoflavin (RoF) and the roseoflavin derivatives RoFMN and RoFAD during heterologous expression in a riboflavin auxotrophic E. coli strain. An absorption and emission spectroscopic characterization of the cofactor-exchanged-Slr1694 (RoSlr) was carried out both under dark conditions and under illuminated conditions. The behaviour of RoF embedded in RoSlr in aqueous solution at pH 8 is compared with the behaviour of RoF in aqueous solution. The fluorescence of RoF and RoSlr is quenched by photo-induced twisted intra-molecular charge transfer at room temperature with stronger effect for RoF. The fluorescence quenching is diminished at liquid nitrogen temperature. Light exposure of RoSlr causes irreversible conversion of the protein embedded roseoflavins to 8-methylamino-flavins, 8-dimethylamino-lumichrome and 8-methylamino-lumichrome.

  16. Spectroscopic, thermogravimetric and structural characterization analyses for comparing Municipal Solid Waste composts and vermicomposts stability and maturity.

    Science.gov (United States)

    Soobhany, Nuhaa; Gunasee, Sanjana; Rago, Yogeshwari Pooja; Joyram, Hashita; Raghoo, Pravesh; Mohee, Romeela; Garg, Vinod Kumar

    2017-07-01

    This is the first-ever study of its kind for an extensive assessment and comparison of maturity indexes between compost and vermicompost that have been derived from Municipal Solid Waste (MSW). The spectroscopic (Fourier transform infrared spectroscopy: FT-IR), thermogravimetric analysis (TG), differential scanning calorimetry (DSC) and structural characterization (scanning electron microscope: SEM) were recorded. FT-IR spectra showed an increase in conversion of polysaccharides species and aliphatic methylene groups in vermicompost compared to compost as depicted from the variation of the intensity of the peaks. TG curves of final vermicompost showed a much lower mass loss when compared to compost, indicating higher stability in feedstock. SEM micrographs of the vermicompost reflected strong fragmentation of material than composts which revealed the extent of intra-structural degradation of MSW. These findings elucidate on a clear comparison between composts and vermicomposts in terms of maturity indexes for soil enhancement and in agriculture as organic fertilizer. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. Synthesis, structural analysis, Hirshfeld surface, spectroscopic characterization and, in vitro, antioxidant activity of a novel organic cyclohexaphosphate

    Science.gov (United States)

    Fezai, Ramzi; Mezni, Ali; Rzaigui, Mohamed

    2018-02-01

    The new hybrid [4-Cl-2-(CH3)C6H3NH3]6P6O18·2H2O was synthesized under normal conditions of temperature and pressure. Single crystal X-ray diffraction study was used to identify its structure. It revealed that this organic cyclohexaphosphate crystallized in the P 1 bar triclinic space group with a = 10.41 (10) Å b = 10.94 (7) Å, c = 15.45 (10) Å, α = 77.37 (8), β = 89.75 (8)°, γ = 61.69 (7)°, V = 1501 (2) Å3 and Z = 1. In the crystal framework, the assembling of the three dimensional (3D) structure is formed by intermolecular hydrogen bonds and Van Der Waals interactions. A spectroscopic characterization was carried out to elucidate the structure (UV-Vis, FTIR, 31P MAS-NMR and fluorescent properties). The thermal stability was studied by TG-DTA diagrams under argon atmosphere. Furthermore, 3-D Hirshfeld surfaces in combination with 2-D fingerprint plots were carried out. This compound was also evaluated for its antioxidant activity; four tests were done, in vitro, 1,1-diphenyl-2-picrylhydrazyl (DPPH•), hydroxyl scavenging ability (OH•), ferric reducing power (FRP) and ferrous ion chelating (FIC) ability, using ascorbic acid as a control.

  18. Synthesis, structural characterization, Hirshfeld surface analysis and spectroscopic studies of cadmium (II) chloride complex with 4-hydroxy-1-methylpiperidine

    Energy Technology Data Exchange (ETDEWEB)

    Soudani, S. [Université de Carthage, Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna (Tunisia); Ferretti, V. [Department of Chemical and Pharmaceutical Sciences and Center for Structural Diffractometry, via Fossato di Mortara 17, I-44121 Ferrara (Italy); Jelsch, C. [CRM2, CNRS, Institut Jean Barriol, Université de Lorraine, Vandoeuvre les Nancy CEDEX (France); Lefebvre, F. [Laboratoire de Chimie Organométallique de Surface (LCOMS), Ecole Supérieure de Chimie Physique Electronique, 69626 Villeurbanne Cedex (France); Nasr, C. Ben, E-mail: cherif_bennasr@yahoo.fr [Université de Carthage, Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna (Tunisia)

    2016-05-15

    The chemical preparation, crystal structure, Hirshfeld surface analysis and spectroscopic characterization of the novel cadmium (II) 4-hydroxy-1-methylpiperidine complex, Cd{sub 4}Cl{sub 10}(C{sub 6}H{sub 14}NO){sub 2}·2H{sub 2}O, have been reported. The atomic arrangement can be described as built up by an anionic framework, formed by edge sharing CdCl{sub 6} and CdCl{sub 5}O octahedral linear chains spreading along the a-axis. These chains are interconnected by water molecules via O–H⋯Cl and O–H⋯O hydrogen bonds to form layers parallel to (011) plane. The organic cations are inserted between layers through C–H⋯Cl hydrogen bonds. Investigation of intermolecular interactions and crystal packing via Hirshfeld surface analysis reveals that the H{sub C}⋯Cl and H{sub C}⋯H{sub C} intermolecular interactions are the most abundant contacts of the organic cation in the crystal packing. The statistical analysis of crystal contacts reveals the driving forces in the packing formation. The {sup 13}C and {sup 15}N CP-MAS NMR spectra are in agreement with the X-ray structure. The vibrational absorption bands were identified by infrared spectroscopy. DFT calculations allowed the attribution of the NMR peaks and of the IR bands.

  19. Synthesis, characterization and spectroscopic properties of a new Nd{sup 3+}-doped Co-picromerite-type Tutton salt

    Energy Technology Data Exchange (ETDEWEB)

    Souamti, A., E-mail: souamtiahmed88@gmail.com [Laboratoire d' Application de la Chimie aux Ressources et Substances Naturelles et à l' Environnement, Département de Chimie, Université de Carthage, Faculté des Sciences de Bizerte, Zarzouna, Bizerte 7021 (Tunisia); Martín, I.R. [Departamento de Física, Universidad de La Laguna, 38206 La Laguna (Spain); Zayani, L. [Laboratoire d' Application de la Chimie aux Ressources et Substances Naturelles et à l' Environnement, Département de Chimie, Université de Carthage, Faculté des Sciences de Bizerte, Zarzouna, Bizerte 7021 (Tunisia); Hernández-Rodríguez, M.A.; Soler-Carracedo, K.; Lozano-Gorrín, A.D. [Departamento de Física, Universidad de La Laguna, 38206 La Laguna (Spain); Lalla, E. [Extreme Light Infrastructure – Nuclear Physics (ELI-NP), Horia Hulubei, National Institute of Physics and Nuclear Engineering (IFIN HH), 30, Reactorului Street, P.O. Box MG-6, 077125 Magurele, jud. Ilfov (Romania); Chehimi, D. Ben Hassen [Laboratoire d' Application de la Chimie aux Ressources et Substances Naturelles et à l' Environnement, Département de Chimie, Université de Carthage, Faculté des Sciences de Bizerte, Zarzouna, Bizerte 7021 (Tunisia)

    2016-09-15

    Single crystals of Nd{sup 3+}-doped Co-picromerite has been synthesized by the slow evaporation method. After two weeks on hold, the crystals obtained were characterized by different techniques, indeed X-ray powder diffraction (XRPD) shows that these compounds crystallize in the monoclinic system with space group P21/a. Complete dehydration of the double salt was obtained before reaching 200 °C with a phase transition of KS around 570 °C. The IR spectroscopic study confirms the vibrational modes of the sulfate groups and water molecules. Exciting at 473 nm, the emission peaks associated with the 4F{sub 5/2}→4I{sub 9/2}, 4F{sub 3/2}→4I{sub 9/2} and 4F{sub 3/2}→4I{sub 11/2} transitions were observed. The luminescence decay curve was analyzed in the frame of the Inokuti-Hirayama model in order to obtain the intrinsic lifetime and the energy transfer parameter among Nd{sup 3+}ions.

  20. Spectroscopic characterization of metal complexes of novel Schiff base. Synthesis, thermal and biological activity studies

    Science.gov (United States)

    Omar, M. M.; Mohamed, Gehad G.; Ibrahim, Amr A.

    2009-07-01

    Novel Schiff base (HL) ligand is prepared via condensation of 4-aminoantipyrine and 2-aminobenzoic acid. The ligand is characterized based on elemental analysis, mass, IR and 1H NMR spectra. Metal complexes are reported and characterized based on elemental analyses, IR, 1H NMR, solid reflectance, magnetic moment, molar conductance and thermal analyses (TGA, DrTGA and DTA). The molar conductance data reveal that all the metal chelates are non-electrolytes. IR spectra show that HL is coordinated to the metal ions in a uninegatively tridentate manner with NNO donor sites of the azomethine N, amino N and deprotonated caroxylic-O. From the magnetic and solid reflectance spectra, it is found that the geometrical structures of these complexes are octahedral. The thermal behaviour of these chelates shows that the hydrated complexes losses water molecules of hydration in the first step followed immediately by decomposition of the anions and ligand molecules in the subsequent steps. The activation thermodynamic parameters, such as, E*, ΔH*, ΔS* and ΔG* are calculated from the DrTG curves using Coats-Redfern method. The synthesized ligands, in comparison to their metal complexes also were screened for their antibacterial activity against bacterial species, Escherichia Coli, Pseudomonas aeruginosa, Staphylococcus Pyogones and Fungi (Candida). The activity data show that the metal complexes to be more potent/antibacterial than the parent Shciff base ligand against one or more bacterial species.

  1. Melanin from the nitrogen-fixing bacterium Azotobacter chroococcum: a spectroscopic characterization.

    Directory of Open Access Journals (Sweden)

    Aulie Banerjee

    Full Text Available Melanins, the ubiquitous hetero-polymer pigments found widely dispersed among various life forms, are usually dark brown/black in colour. Although melanins have variety of biological functions, including protection against ultraviolet radiation of sunlight and are used in medicine, cosmetics, extraction of melanin from the animal and plant kingdoms is not an easy task. Using complementary physicochemical techniques (i.e. MALDI-TOF, FTIR absorption and cross-polarization magic angle spinning solid-state (13C NMR, we report here the characterization of melanins extracted from the nitrogen-fixing non-virulent bacterium Azotobacter chroococcum, a safe viable source. Moreover, considering dihydroxyindole moiety as the main constituent, an effort is made to propose the putative molecular structure of the melanin hetero-polymer extracted from the bacterium. Characterization of the melanin obtained from Azotobacter chroococcum would provide an inspiration in extending research activities on these hetero-polymers and their use as protective agent against UV radiation.

  2. Synthesis, spectroscopic characterization, biological screenings, DNA binding study and POM analyses of transition metal carboxylates

    Science.gov (United States)

    Uddin, Noor; Sirajuddin, Muhammad; Uddin, Nizam; Tariq, Muhammad; Ullah, Hameed; Ali, Saqib; Tirmizi, Syed Ahmed; Khan, Abdur Rehman

    2015-04-01

    This article contains the synthesis of a novel carboxylic acid derivative, its transition metal complexes and evaluation of biological applications. Six carboxylate complexes of transition metals, Zn(II) and Hg(II), have been successfully synthesized and characterized by FT-IR and NMR (1H, 13C). The ligand, HL, (4-[(2,6-Diethylphenyl)amino]-4-oxobutanoic acid) was also characterized by single crystal X-ray analysis. The complexation occurs via oxygen atoms of the carboxylate moiety. FT-IR date show the bidentate nature of the carboxylate moiety of the ligand as the Δν value in all complexes is less than that of the free ligand. The ligand and its complexes were screened for antifungal and antileishmanial activities. The results showed that the ligand and its complexes are active with few exceptions. UV-visible spectroscopy and viscometry results reveal that the ligand and its complexes interact with the DNA via intercalative mode of interaction. A new and efficient strategy to identify the pharmacophores and anti-pharmacophores sites in carboxylate derivatives for the antibacterial/antifungal activity using Petra, Osiris and Molinspiration (POM) analyses was also carried out.

  3. Preparation and spectroscopic characterization of visible light sensitized N doped TiO2 (rutile)

    International Nuclear Information System (INIS)

    Livraghi, S.; Czoska, A.M.; Paganini, M.C.; Giamello, E.

    2009-01-01

    Nitrogen doped TiO 2 represents one of the most promising material for photocatalitic degradation of environmental pollutants with visible light. However, at present, a great deal of activity is devoted to the anatase polymorph while few data about rutile are available. In the present paper we report an experimental characterization of N doped polycrystalline rutile TiO 2 prepared via sol-gel synthesis. Nitrogen doping does not affect the valence band to conduction band separation but, generates intra band gap localized states which are responsible of the on set of visible light absorption. The intra band gap states correspond to a nitrogen containing defect similar but not coincident with that recently reported for N doped anatase. - Graphical abstract: Nitrogen doped TiO 2 represents one of the most promising material for photocatalitic degradation of environmental pollutants with visible light. However, at present, a great deal of activity is devoted to the anatase polymorph while few data about rutile are available. In the present paper we report an experimental characterization of N doped polycrystalline rutile TiO 2 prepared via sol-gel synthesis

  4. Synthesis and spectroscopic characterization of gallic acid and some of its azo complexes

    Science.gov (United States)

    Masoud, Mamdouh S.; Hagagg, Sawsan S.; Ali, Alaa E.; Nasr, Nessma M.

    2012-04-01

    A series of gallic acid and azo gallic acid complexes were prepared and characterized by elemental analysis, IR, electronic spectra and magnetic susceptibility. The complexes were of different geometries: Octahedral, Tetrahedral and Square Planar. ESR was studied for copper complexes. All of the prepared complexes were of isotropic nature. The thermal analyses of the complexes were studied by DTA and DSC techniques. The thermodynamic parameters and the thermal transitions, such as glass transitions, crystallization and melting temperatures for some ligands and their complexes were evaluated and discussed. The entropy change values, ΔS#, showed that the transition states are more ordered than the reacting complexes. The biological activities of some ligands and their complexes are tested against Gram positive and Gram negative bacteria. The results showed that some complexes have a well considerable activity against different organisms.

  5. NMR spectroscopic characterization of {beta}-cyclodextrin inclusion complex with vanillin

    Energy Technology Data Exchange (ETDEWEB)

    Pirnau, Adrian; Bogdan, Mircea; Floare, Calin G, E-mail: adrian.pirnau@itim-cj.r [National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath, 400293 Cluj-Napoca (Romania)

    2009-08-01

    The inclusion of vanillin by {beta}-cyclodextrin was investigated by {sup 1}H NMR. The continuous variation technique was used to evidence the formation of soluble 1:1 complex in aqueous solution. The association constant of vanillin with {beta}-cyclodextrin has been obtained at 298 K by fitting the experimental chemical shifts differences, {Delta}{delta}{sub obs} {delta}{sub free} - {delta}{sub obs} of the observed guest and host protons, with a non-linear regression method. Besides the effective association constant, the fitting procedure allows a precise determination of all chemical shift parameters characterizing the pure complex. They can by used for an analysis of the geometry of the molecular complex in solution.

  6. Photoacoustic and spectroscopic characterization of the ablation process in orthogonal double-pulse configuration

    International Nuclear Information System (INIS)

    Sobral, H; Sanchez-Ake, C; Sangines, R; Alvarez-Zauco, E; Jimenez-Duran, K

    2011-01-01

    A photoacoustic technique was used as an alternative method to monitor the crater volume and its role in the emission line intensification in double-pulse pre-ablation configuration. The crater volume was measured using confocal microscopy and correlated with the changes in the photoacoustic signal. Laser emission spectroscopy was used to characterize the emission enhancement as a function of the delay between lasers and the first pulse energy. Optimum delay was found to be in the microsecond timescale corresponding to the maximum of the crater volume and the largest change between the single- and the double-pulse photoacoustic signals. Only a slight intensification was detected with increasing first pulse energy above the first pulse ablation threshold; however, the crater volume did not significantly change and the possible involved mechanisms are discussed.

  7. Spectroscopic and microscopic characterization of silver nanoparticles synthesized using Justicia adhatoda flower

    Science.gov (United States)

    Singh, Tej; Shekhawat, Dharmender Singh; Jyoti, Kumari

    2018-05-01

    The synthesis of silver nanoparticles (SNPs) by chemical and physical methods produce harmful products which may cause various environmental problems, thus, there is an increasing demand to use ecofriendly methods. Therefore, biosynthesis of SNPs using Justicia adhatoda flower extract is demonstrated in the present study. The biosynthesized SNPs were characterized by UV-visible spectroscopy, Fourier transform-infrared spectroscopy (FTIR), transmission electron microscopy (TEM), selected area electron diffraction (SAED) and atomic force microscopy (AFM) analysis. The result of UV-visible spectroscopy peaked at 417 nm corresponding to the plasmon absorbance of SNPs. The TEM and SAED result reveals the crystalline nature of SNPs. FTIR spectroscopy used to identify the possible biomolecules responsible for the conversion of silver ions to SNPs. The study concluded that Justicia adhatoda flower extract act as an excellent reducing agent and the green synthesized SNPs are safer to the environment.

  8. Synthesis and spectroscopic characterization of gold nanobipyramids prepared by a chemical reduction method

    International Nuclear Information System (INIS)

    Ngo, Vo Ke Thanh; Huynh, Trong Phat; Nguyen, Dang Giang; Nguyen, Hoang Phuong Uyen; Lam, Quang Vinh; Huynh, Thanh Dat

    2015-01-01

    Gold nanobipyramids (NBPs) have attracted much attention because they have potential for applications in smart sensing devices, such as medical diagnostic equippments. This is due to the fact that they show more advantageous plasmonic properties than other gold nanostructures. We describe a chemical reduction method for synthesizing NBPs using conventional heating with ascorbic acid reduction and cetyltrimethylamonium bromide (CTAB) + AgNO_3 as capping agents. The product was characterized by ultraviolet–visible spectroscopy (UV–vis), Fourier transmission infrared spectroscopy (FTIR), transmission electron microscopy (TEM), x-ray powder diffraction (XRD). The results showed that gold nanoparticles were formed with bipyramid shape (tip-to-tip distance of 88.4 ± 9.4 nm and base length of 29.9 ± 3.2 nm) and face-centered-cubic crystalline structure. Optimum parameters for preparation of NBPs are also found. (paper)

  9. Synthesis and spectroscopic characterization of gold nanobipyramids prepared by a chemical reduction method

    Science.gov (United States)

    Thanh Ngo, Vo Ke; Phat Huynh, Trong; Giang Nguyen, Dang; Phuong Uyen Nguyen, Hoang; Lam, Quang Vinh; Dat Huynh, Thanh

    2015-12-01

    Gold nanobipyramids (NBPs) have attracted much attention because they have potential for applications in smart sensing devices, such as medical diagnostic equippments. This is due to the fact that they show more advantageous plasmonic properties than other gold nanostructures. We describe a chemical reduction method for synthesizing NBPs using conventional heating with ascorbic acid reduction and cetyltrimethylamonium bromide (CTAB) + AgNO3 as capping agents. The product was characterized by ultraviolet-visible spectroscopy (UV-vis), Fourier transmission infrared spectroscopy (FTIR), transmission electron microscopy (TEM), x-ray powder diffraction (XRD). The results showed that gold nanoparticles were formed with bipyramid shape (tip-to-tip distance of 88.4 ± 9.4 nm and base length of 29.9 ± 3.2 nm) and face-centered-cubic crystalline structure. Optimum parameters for preparation of NBPs are also found.

  10. Synthesis, spectroscopic characterization and pH dependent photometric and electrochemical fate of Schiff bases.

    Science.gov (United States)

    Rauf, Abdur; Shah, Afzal; Abbas, Saghir; Rana, Usman Ali; Khan, Salah Ud-Din; Ali, Saqib; Zia-Ur-Rehman; Qureshi, Rumana; Kraatz, Heinz-Bernhard; Belanger-Gariepy, Francine

    2015-03-05

    A new Schiff base, 1-((4-bromophenylimino) methyl) naphthalen-2-ol (BPIMN) was successfully synthesized and characterized by (1)H NMR, (13)C NMR, FTIR and UV-Vis spectroscopy. The results were compared with a structurally related Schiff base, 1-((4-chlorophenylimino) methyl) naphthalen-2-ol (CPIMN). The photometric and electrochemical fate of BPIMN and CPIMN was investigated in a wide pH range. The experimental findings were supported by quantum mechanical approach. The redox mechanistic pathways were proposed on the basis of results obtained electrochemical techniques. Moreover, pH dependent UV-Vis spectroscopy of BPIMN and CPIMN was carried out and the appearance of isosbestic points indicated the existence of these compounds in different tautomeric forms. Copyright © 2014 Elsevier B.V. All rights reserved.

  11. EPR, UV-Visible, and Near-Infrared Spectroscopic Characterization of Dolomite

    Directory of Open Access Journals (Sweden)

    S. Lakshmi Reddy

    2008-01-01

    Full Text Available Dolomite mineral samples having white and light green colors of Indian origin have been characterized by EPR, optical, and NIR spectroscopy. The optical spectrum exhibits a number of electronic bands due to presence of Fe(III ions in the mineral. From EPR studies, the parameters of g for Fe(III and g,A, and D for Mn(II are evaluated and the data confirm that the ions are in distorted octahedron. Optical absorption studies reveal that Fe(III is in distorted octahedron. The bands in NIR spectra are due to the overtones and combinations of water molecules. Thus EPR and optical absorption spectral studies have proven useful for the study of the solid state chemistry of dolomite.

  12. Synthesis, spectroscopic, biological activity and thermal characterization of ceftazidime with transition metals

    Science.gov (United States)

    Masoud, Mamdouh S.; Ali, Alaa E.; Elasala, Gehan S.; Kolkaila, Sherif A.

    2018-03-01

    Synthesis, physicochemical characterization and thermal analysis of ceftazidime complexes with transition metals (Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II)) were discussed. It's obtained that ceftazidime act as bidentate ligand. From magnetic measurement and spectral data, octahedral structures were proposed for all complexes except for cobalt, nickel and mercury had tetrahedral structural. Hyper chemistry program confirmed binding sites of ceftazidime. Ceftazidime complexes show higher activity than ceftazidime for some strains. From TG and DTA curves the thermal decomposition mechanisms of ceftazidime and their metal complexes were suggested. The thermal decomposition of the complexes ended with the formation of metal oxides as a final product except in case of Hg complex.

  13. X-ray Spectroscopic Characterization of Shock-Ignition-Relevant plasmas

    Directory of Open Access Journals (Sweden)

    Michal Šmíd

    2013-01-01

    Full Text Available Experiments with multilayer plastic/Cu targets performed at a PALS laser system aimed at the study of matter at conditions relevant to a shock ignition ICF scheme, and, in particular, at the investigation of hot electrons generation. Plasma temperature and density were obtained using high-resolution X-ray spectroscopy. 2D-spatially resolved quasi–monochromatic imaging was observing the hot electrons via fluorescence K emission in the copper tracer layer. Found values of plasma temperature 690 ± 10 eV, electron density 3 × 1022 cm-3 and the effective energy of hot electrons 45 ± 20 keV demonstrate the potential of X-ray methods in the characterization of the shock ignition environmental conditions.

  14. Structural characterization of complex systems by applying a combination of scattering and spectroscopic methods

    International Nuclear Information System (INIS)

    Klose, G.

    1999-01-01

    Lyotropic mesophases possess lattice dimensions of the order of magnitude of the length of their molecules. Consequently, the first Bragg reflections of such systems appear at small scattering angles (small angle scattering). A combination of scattering and NMR methods was applied to study structural properties of POPC/C 12 E n mixtures. Generally, the ranges of existence of the liquid crystalline lamellar phase, the dimension of the unit-cell of the lamellae and important structural parameters of the lipid and surfactant molecules in the mixed bilayers were determined. With that the POPC/C 12 E 4 bilayer represents one of the best structurally characterized mixed model membranes. It is a good starting system for studying the interrelation with other e.g. dynamic or thermodynamic properties. (K.A.)

  15. NMR spectroscopic characterization of β-cyclodextrin inclusion complex with vanillin

    International Nuclear Information System (INIS)

    Pirnau, Adrian; Bogdan, Mircea; Floare, Calin G

    2009-01-01

    The inclusion of vanillin by β-cyclodextrin was investigated by 1 H NMR. The continuous variation technique was used to evidence the formation of soluble 1:1 complex in aqueous solution. The association constant of vanillin with β-cyclodextrin has been obtained at 298 K by fitting the experimental chemical shifts differences, Δδ obs δ free - δ obs of the observed guest and host protons, with a non-linear regression method. Besides the effective association constant, the fitting procedure allows a precise determination of all chemical shift parameters characterizing the pure complex. They can by used for an analysis of the geometry of the molecular complex in solution.

  16. Laboratory studies of spectroscopic markers for the characterization of surface erosion by plasmas

    International Nuclear Information System (INIS)

    Manos, D.M.; Bennett, T.; Herzer, M.; Schwarzmann, J.

    1992-01-01

    The erosion rates in portions of fusion plasma devices like the ITER tokamak are sufficiently high that nearly real-time information on cumulative removal is needed for control and machine safety. We are developing a digitally--encoded scheme to indicate the depth of erosion at numerous poloidal and toroidal locations around ITER. The scheme uses materials embedded in the walls and divertors, which, when uncovered, present remotely detectable signals. This paper reports laboratory experiments on prototype markers consisting of combinations of up to 5 elements (Au,Pd,Ag,In,Ga) along with Au,Pt, and Ta pure metals. The markers were bonded to 4-D carbon-carbon composite of the type proposed for use in the ITER first wall, and placed in the lower-hybrid-driven plasma of the atomic beam facility at PPL. The paper describes this device Light emission was characterized using a 1 meter Czerny-Turner vacuum ultraviolet monochromator. The samples were characterized both before and after plasma exposure by Auger spectroscopy. We report the time-dependent behavior of the spectra of the visible and ultraviolet light emitted by the plasma when the markers are uncovered by the erosion showing emission lines of the marker elements which are easily distinguished from the background plasma lines. The dependence of the light intensity on bias voltage is compared to the known sputtering yields of the elements. The optical detection method allows exploration of the threshold dependence of these multi-element targets. An exponential dependence of yield above threshold was observed for all of the elements studied

  17. Laboratory studies of spectroscopic markers for the characterization of surface erosion by plasmas

    International Nuclear Information System (INIS)

    Manos, D.M.; Bennett, T.; Herzer, M.; Schwarzmann, J.

    1992-01-01

    The erosion rates in portions of fusion plasma devices like the ITER tokamak are sufficiently high that nearly real-time information on cumulative removal is needed for control and machine safety. We are developing a digitially-encoded scheme to indicate the depth of erosion at numerous poloidal and toroidal locations around ITER. The scheme uses materials embedded in the walls and divertors to present remotely detectable signals. This paper reports laboratory experiments on prototype markers consisting of combinations of up to five elements (Au, Pd, Ag, In, Ga) along with Au, Pt, and Ta pure metals. The markers were bonded to 4-D carbon-carbon composite of the type proposed for use in the ITER first wall, and exposed to He bombardment in the lower-hybrid-driven plasma of the atomic beam facility at PPL. The paper describes this device. Light]emission was characterized using a 1 m Czerny-Turner vacuum ultraviolet monochromator. The samples were characterized both before and after plasma exposure by Auger spectroscopy. We report the time-dependent behavior of the spectra of the visible and ultraviolet light emitted by the plasma. When the markers are uncovered by the erosion, emission lines of the marker elements are easily distinguished from the He background plasma lines. The dependence of the light intensity on bias voltage is compared to the known sputtering yields of the elements. The optical detection method allows exploration of the threshold dependence of these multi-element targets. An exponential dependence of yield above threshold was observed for all of the elements studied, in contrast to previous models. (orig.)

  18. Isolation and Spectroscopic Characterization of Reactive Species in Atmospheric and Interstellar Reactions

    Science.gov (United States)

    Relph, Rachael A.

    2011-12-01

    A critical element to the study of chemical reactions is the characterization of reaction intermediates. Methods have been developed to isolate these transient species in the gas phase and when combined with infrared spectroscopy have proven to be excellent tools for determining the structure and reactivity of key intermediates. The studies presented here exploit these technologies to better understand the chemistry of species involved in atmospheric and interstellar reactions. An excellent example of their utility is in the study of the formation of proton hydrates and HONO in the upper atmosphere by sequential addition of water molecules onto the nitrosonium ion. This reaction only proceeds to products after addition of the fourth water molecule, and isolation and characterization of the intermediate trihydrate, NO+(H 2O)3, shows that this species is formed in three isomeric forms, each with a different water network that controls the degree of bond formation between the nitrosonium ion and an activated water molecule. Many isomeric structures are also seen in the clustering reactions of acetylene which may be a mechanism for the formation of benzene cation in interstellar space. The spectroscopy of the trimer, (C2H2)3 + indicates that this species exists in two major isomer classes; covalent forms, one of which may be benzene, and an ion-molecule complex, comprised of a loosely bound acetylene on a dimer core. Interestingly, this dimer core is different from the cyclobutadiene-like structure observed in dimerized acetylene, and proves to be a robust species on the potential energy surface as it survives further clustering events. Two structural isomers of CO3 -and NO3 - are also investigated, and found to have drastically different infrared spectra which are analyzed in the context of their electronic structure. Isomers in these systems are prepared under different expansion conditions which accounts for their unique spectral signatures.

  19. Spectroscopic characterization approach to study surfactants effect on ZnO 2 nanoparticles synthesis by laser ablation process

    Science.gov (United States)

    Drmosh, Q. A.; Gondal, M. A.; Yamani, Z. H.; Saleh, T. A.

    2010-05-01

    Zinc peroxide nanoparticles having grain size less than 5 nm were synthesized using pulsed laser ablation in aqueous solution in the presence of different surfactants and solid zinc target in 3% H 2O 2. The effect of surfactants on the optical and structure of ZnO 2 was studied by applying different spectroscopic techniques. Structural properties and grain size of the synthesized nanoparticles were studied using XRD method. The presence of the cubic phase of zinc peroxide in all samples was confirmed with XRD, and the grain sizes were 4.7, 3.7, 3.3 and 2.8 nm in pure H 2O 2, and H 2O 2 mixed with SDS, CTAB and OGM respectively. For optical characterization, FTIR transmittance spectra of ZnO 2 nanoparticles prepared with and without surfactants show a characteristic ZnO 2 absorption at 435-445 cm -1. FTIR spectrum revealed that the adsorbed surfactants on zinc peroxide disappeared in case of CTAB and OGM while it appears in case of SDS. This could be due to high critical micelles SDS concentration comparing with others which is attributed to the adsorption anionic nature of this surfactant. Both FTIR and UV-vis spectra show a red shift in the presence of SDS and blue shift in the presence of CTAB and OGM. The blue shift in the absorption edge indicates the quantum confinement property of nanoparticles. The zinc peroxide nanoparticles prepared in additives-free media was also characterized by Raman spectra which show the characteristic peaks at 830-840 and 420-440 cm -1.

  20. Spectroscopic characterization approach to study surfactants effect on ZnO{sub 2} nanoparticles synthesis by laser ablation process

    Energy Technology Data Exchange (ETDEWEB)

    Drmosh, Q.A. [Laser Research Group, Physics Department, King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Center of Excellence in Nanotechnology (CENT), King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Gondal, M.A., E-mail: magondal@kfupm.edu.sa [Laser Research Group, Physics Department, King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Center of Excellence in Nanotechnology (CENT), King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Yamani, Z.H. [Laser Research Group, Physics Department, King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Center of Excellence in Nanotechnology (CENT), King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Saleh, T.A. [Center of Excellence in Nanotechnology (CENT), King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Chemistry Department, King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia)

    2010-05-01

    Zinc peroxide nanoparticles having grain size less than 5 nm were synthesized using pulsed laser ablation in aqueous solution in the presence of different surfactants and solid zinc target in 3% H{sub 2}O{sub 2}. The effect of surfactants on the optical and structure of ZnO{sub 2} was studied by applying different spectroscopic techniques. Structural properties and grain size of the synthesized nanoparticles were studied using XRD method. The presence of the cubic phase of zinc peroxide in all samples was confirmed with XRD, and the grain sizes were 4.7, 3.7, 3.3 and 2.8 nm in pure H{sub 2}O{sub 2}, and H{sub 2}O{sub 2} mixed with SDS, CTAB and OGM respectively. For optical characterization, FTIR transmittance spectra of ZnO{sub 2} nanoparticles prepared with and without surfactants show a characteristic ZnO{sub 2} absorption at 435-445 cm{sup -1}. FTIR spectrum revealed that the adsorbed surfactants on zinc peroxide disappeared in case of CTAB and OGM while it appears in case of SDS. This could be due to high critical micelles SDS concentration comparing with others which is attributed to the adsorption anionic nature of this surfactant. Both FTIR and UV-vis spectra show a red shift in the presence of SDS and blue shift in the presence of CTAB and OGM. The blue shift in the absorption edge indicates the quantum confinement property of nanoparticles. The zinc peroxide nanoparticles prepared in additives-free media was also characterized by Raman spectra which show the characteristic peaks at 830-840 and 420-440 cm{sup -1}.

  1. Spectroscopic characterization approach to study surfactants effect on ZnO2 nanoparticles synthesis by laser ablation process

    International Nuclear Information System (INIS)

    Drmosh, Q.A.; Gondal, M.A.; Yamani, Z.H.; Saleh, T.A.

    2010-01-01

    Zinc peroxide nanoparticles having grain size less than 5 nm were synthesized using pulsed laser ablation in aqueous solution in the presence of different surfactants and solid zinc target in 3% H 2 O 2 . The effect of surfactants on the optical and structure of ZnO 2 was studied by applying different spectroscopic techniques. Structural properties and grain size of the synthesized nanoparticles were studied using XRD method. The presence of the cubic phase of zinc peroxide in all samples was confirmed with XRD, and the grain sizes were 4.7, 3.7, 3.3 and 2.8 nm in pure H 2 O 2 , and H 2 O 2 mixed with SDS, CTAB and OGM respectively. For optical characterization, FTIR transmittance spectra of ZnO 2 nanoparticles prepared with and without surfactants show a characteristic ZnO 2 absorption at 435-445 cm -1 . FTIR spectrum revealed that the adsorbed surfactants on zinc peroxide disappeared in case of CTAB and OGM while it appears in case of SDS. This could be due to high critical micelles SDS concentration comparing with others which is attributed to the adsorption anionic nature of this surfactant. Both FTIR and UV-vis spectra show a red shift in the presence of SDS and blue shift in the presence of CTAB and OGM. The blue shift in the absorption edge indicates the quantum confinement property of nanoparticles. The zinc peroxide nanoparticles prepared in additives-free media was also characterized by Raman spectra which show the characteristic peaks at 830-840 and 420-440 cm -1 .

  2. Clays as green catalysts in the cholesterol esterification: spectroscopic characterization and polymorphs identification by thermal analysis methods. An interdisciplinary laboratorial proposal for the undergraduate level

    International Nuclear Information System (INIS)

    Maria, Teresa M R.; Nunes, Rui M. D.; Pereira, Mariette M.; Eusebio, M. Ermelinda S.

    2009-01-01

    A laboratory experiment that enables the professor to introduce the problematic of sustainable development in pharmaceutical chemistry to undergraduate students is proposed, using a simple synthetic procedure. Cholesteryl acetate is prepared by the esterification of cholesterol using Montmorillonite K10 as heterogeneous catalyst. Cholesterol and cholesteryl acetate are characterized by spectroscopic ( 1 H RMN, 13 C RMN, FTIR) and thermal analysis techniques. The thermal methods are used to introduce the concepts of polymorphism and the nature of mesophases. (author)

  3. Characterization of titanyl phthalocyanine (TiOPc) thin films by microscopic and spectroscopic method

    Science.gov (United States)

    Skonieczny, R.; Makowiecki, J.; Bursa, B.; Krzykowski, A.; Szybowicz, M.

    2018-02-01

    The titanyl phthalocyanine (TiOPc) thin film deposited on glass, silicon and gold substrate have been studied using Raman spectroscopy, atomic force microscopy (AFM), absorption and profilometry measurements. The TiOPc thin layers have been deposited at room temperature by the quasi-molecular beam evaporation technique. The Raman spectra have been recorded using micro Raman system equipped with a confocal microscope. Using surface Raman mapping techni que with polarized Raman spectra the polymorphic forms of the TiOPc thin films distribution have been obtained. The AFM height and phase image were examined in order to find surface features and morphology of the thin films. Additionally to compare experimental results, structure optimization and vibrational spectra calculation of single TiOPc molecule were performed using DFT calculations. The received results showed that the parameters like polymorphic form, grain size, roughness of the surface in TiOPc thin films can well characterize the obtained organic thin films structures in terms of their use in optoelectronics and photovoltaics devices.

  4. Synthesis, thermogravimetric, spectroscopic and theoretical characterization of copper(II) complex with 4-chloro-2-nitrobenzenosulfonamide

    Science.gov (United States)

    Camí, G.; Chacón Villalba, E.; Di Santi, Y.; Colinas, P.; Estiu, G.; Soria, D. B.

    2011-05-01

    4-Chloro-2-nitrobenzenesulfonamide (ClNbsa) was purified and characterized. A new copper(II) complex, [Cu(ClNbsa) 2(NH 3) 2], has been prepared using the sulfonamide as ligand. The thermal behavior of both, the ligand and the Cu(II) complex, was investigated by thermogravimetric analyses (TG) and differential thermal analysis (DT), and the electronic characteristics analyzed by UV-VIS, FTIR, Raman and 1H NMR spectroscopies. The experimental IR, Raman and UV-VIS spectra have been assigned on the basis of DFT calculations at the B3LYP level of theory using the standard (6-31 + G ∗∗) basis set. The geometries have been fully optimized in vacuum and in modeled dimethylsulfoxide (DMSO) solvent, using for the latter a continuum solvation model that reproduced the experimental conditions of the UV-VIS spectroscopy. The theoretical results converged to stable conformations for the free sulfonamide and for the complex, suggesting for the latter a distorted square planar geometry in both environments.

  5. Time-resolved spectroscopic characterization of photo-induced valence tautomerism for a cobalt dioxolene complex

    Science.gov (United States)

    Gentili, Pier Luigi; Bussotti, Laura; Righini, Roberto; Beni, Alessandra; Bogani, Lapo; Dei, Andrea

    2005-07-01

    The valence tautomerism of low-spin Co III(Cat-N-BQ)(Cat-N-SQ) (where Cat-N-BQ is 2-(2-hydroxy-3,5-di- tert-butylphenylimino)-4,6-di- tert-butylcyclohexa-3,5-dienone and Cat-N-SQ is the dianionic radical analogue) was investigated by means of UV-vis pump-probe transient absorption spectroscopy and 1H NMR technique in chloroform and dichloromethane. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin Co II(Cat-N-BQ) 2 that, secondly, reaches the chemical equilibrium with the reactant species. The rate constant of back valence tautomerization estimated by measuring the lifetime of high-spin Co II(Cat-N-BQ) 2 species and the equilibrium constant for the Co III(Cat-N-BQ)(Cat-N-SQ) ⇄ Co II(Cat-N-BQ) 2 interconversion, is significantly large (on the order of 10 9 s -1). It is interpreted under the point of view of the theory formulated by Jortner and Buhks et al. for non-adiabatic radiationless processes.

  6. Structural characterization of humic-like substances with conventional and surface-enhanced spectroscopic techniques

    Science.gov (United States)

    Carletti, Paolo; Roldán, Maria Lorena; Francioso, Ornella; Nardi, Serenella; Sanchez-Cortes, Santiago

    2010-10-01

    Emission-excitation, synchronous fluorescence spectroscopy and surface-enhanced Raman scattering (SERS) combined with surface-enhanced fluorescence (SEF) were applied to aqueous solutions of a humic-like substance (HLS) extracted from earthworm faeces. All measurements were acquired in a wide range of pH (4-12) and analysed by the linear regression analysis. Diffuse Reflectance Infrared Fourier Transform (DRIFT) spectra were also acquired to assist in the structural characterization of this HLS. The emission and excitation spectra allowed the identification of two main fluorophores in the analysed sample. Moreover, a close correlation between fluorescence intensities of each fluorophore with pH variation was observed. SERS and SEF, in agreement with the fluorescence spectroscopy, showed that the HLS at low pH values exists in an aggregated and coiled molecular structure while it is dispersed and uncoiled at alkaline conditions. The obtained spectra also evidenced that different conditions modify the functional groups exposed to the surrounding aqueous environment.

  7. Chemical and Spectroscopical Characterization of Humic Acids from two South Brazilian Coals of Different Ranks

    Directory of Open Access Journals (Sweden)

    Dick Deborah P.

    2002-01-01

    Full Text Available Humic acids (HA extracted from two coals of different ranks, from their regenerated samples and from a nitrated sample, were characterized by elemental analysis and by infra-red (FTIR, solid state 13C nuclear magnetic resonance (NMR and eletronic paramagnetic resonance (EPR spectroscopies. The low rank coal HA presented higher C and lower O contents, higher C/N and lower H/C and O/C ratios than high rank coal HA. NMR results showed that both samples were more aromatic and less carboxylic than common soil HA. Those characteristics may limit the coal HA efficiency as an appropriate soil conditioner and fertilizer. The regeneration process did not produce major alterations in the coal HA, except a decrease of the free radical content as determined by EPR spectroscopy. Probably, the regeneration conditions and time were not adequate to oxidize the samples. The obtained FTIR spectra were much alike, except that from the nitrated sample, where the absorption band at 1533 cm-1 confirms the presence of nitrated groups. The nitration process increased the N content and reduced the C/N ratio to values comparable to those reported for soil HA, but the aromaticity still remained high and the carboxylic content was lowered after the procedure.

  8. Structural and IR-spectroscopic characterization of cadmium and lead(II) acesulfamates

    Energy Technology Data Exchange (ETDEWEB)

    Echeverria, Gustavo A.; Piro, Oscar E. [Univ. Nacional de La Plata (Argentina). Dept. de Fisica y Inst. IFLP (CONICET- CCT-La Plata); Parajon-Costa, Beatriz S.; Baran, Enrique J. [Univ. Nacional de La Plata (Argentina). Centro de Quimica Inorganica (CEQUINOR/CONICET- CCT-La Plata)

    2017-07-01

    Cadmium and lead(II) acesulfamate, Cd(C{sub 4}H{sub 4}NO{sub 4}S){sub 2} . 2H{sub 2}O and Pb(C{sub 4}H{sub 4}NO{sub 4}S){sub 2}, were prepared by the reaction of acesulfamic acid and the respective metal carbonates in aqueous solution, and characterized by elemental analysis. Their crystal structures were determined by single crystal X-ray diffraction methods. The Cd(II) compound crystallizes in the monoclinic space group P2{sub 1}/c with Z=4 and the corresponding Pb(II) salt in the triclinic space group P anti 1 with Z=2. In both salts, acesulfamate acts both as a bi-dentate ligand through its nitrogen and carbonyl oxygen atoms and also as a mono-dentate ligand through this same oxygen atom, giving rise to polymeric structures; in the Pb(II) salt the ligand also binds the cation through its sulfoxido oxygen atoms. The FTIR spectra of the compounds were recorded and are briefly discussed. Some comparisons with other related acesulfamate and saccharinate complexes are made.

  9. Absorption and fluorescence spectroscopic characterization of BLUF domain of AppA from Rhodobacter sphaeroides

    Energy Technology Data Exchange (ETDEWEB)

    Zirak, P. [Institut II - Experimentelle und Angewandte Physik, Universitaet Regensburg, Universitaetstrasse 31, D-93053 Regensburg (Germany); Penzkofer, A. [Institut II - Experimentelle und Angewandte Physik, Universitaet Regensburg, Universitaetstrasse 31, D-93053 Regensburg (Germany)], E-mail: alfons.penzkofer@physik.uni-regensburg.de; Schiereis, T. [Institut fuer Biologie, Experimentelle Biophysik, Humboldt-Universitaet zu Berlin, Invalidenstrasse 42, D-10115 Berlin (Germany); Hegemann, P. [Institut fuer Biologie, Experimentelle Biophysik, Humboldt-Universitaet zu Berlin, Invalidenstrasse 42, D-10115 Berlin (Germany); Jung, A. [Max-Planck-Institut fuer medizinische Forschung, Abteilung Biomolekulare Mechanismen, Jahnstrasse 29, D-69120 Heidelberg (Germany); Schlichting, I. [Max-Planck-Institut fuer medizinische Forschung, Abteilung Biomolekulare Mechanismen, Jahnstrasse 29, D-69120 Heidelberg (Germany)

    2005-08-08

    The BLUF domain of the transcriptional anti-repressor protein AppA from the non-sulfur anoxyphototrophic purple bacterium Rhodobacter sphaeroides was characterized by absorption and emission spectroscopy. The BLUF domain constructs AppA{sub 148} (consisting of amino-acid residues 1-148) and AppA{sub 126} (amino-acid residues 1-126) are investigated. The cofactor of the investigated domains is found to consist of a mixture of the flavins riboflavin, FMN, and FAD. The dark-adapted domains exist in two different active receptor conformations (receptor states) with different sub-nanosecond fluorescence lifetimes (BLUF{sub r,f} and BLUF{sub r,sl}) and a small non-interacting conformation (BLUF{sub nc}). The active receptor conformations are transformed to putative signalling states (BLUF{sub s,f} and BLUF{sub s,sl}) of low fluorescence efficiency and picosecond fluorescence lifetime by blue-light excitation (light-adapted domains). In the dark at room temperature both signalling states recover back to the initial receptor states with a time constant of about 17 min. A quantum yield of signalling state formation of about 25% was determined by intensity dependent transmission measurements. A photo-cycle scheme is presented including photo-induced charge transfer complex formation, charge recombination, and protein binding pocket reorganisation.

  10. Absorption and fluorescence spectroscopic characterization of BLUF domain of AppA from Rhodobacter sphaeroides

    Science.gov (United States)

    Zirak, P.; Penzkofer, A.; Schiereis, T.; Hegemann, P.; Jung, A.; Schlichting, I.

    2005-08-01

    The BLUF domain of the transcriptional anti-repressor protein AppA from the non-sulfur anoxyphototrophic purple bacterium Rhodobacter sphaeroides was characterized by absorption and emission spectroscopy. The BLUF domain constructs AppA 148 (consisting of amino-acid residues 1-148) and AppA 126 (amino-acid residues 1-126) are investigated. The cofactor of the investigated domains is found to consist of a mixture of the flavins riboflavin, FMN, and FAD. The dark-adapted domains exist in two different active receptor conformations (receptor states) with different sub-nanosecond fluorescence lifetimes (BLUF r,f and BLUF r,sl) and a small non-interacting conformation (BLUF nc). The active receptor conformations are transformed to putative signalling states (BLUF s,f and BLUF s,sl) of low fluorescence efficiency and picosecond fluorescence lifetime by blue-light excitation (light-adapted domains). In the dark at room temperature both signalling states recover back to the initial receptor states with a time constant of about 17 min. A quantum yield of signalling state formation of about 25% was determined by intensity dependent transmission measurements. A photo-cycle scheme is presented including photo-induced charge transfer complex formation, charge recombination, and protein binding pocket reorganisation.

  11. Absorption and fluorescence spectroscopic characterization of BLUF domain of AppA from Rhodobacter sphaeroides

    International Nuclear Information System (INIS)

    Zirak, P.; Penzkofer, A.; Schiereis, T.; Hegemann, P.; Jung, A.; Schlichting, I.

    2005-01-01

    The BLUF domain of the transcriptional anti-repressor protein AppA from the non-sulfur anoxyphototrophic purple bacterium Rhodobacter sphaeroides was characterized by absorption and emission spectroscopy. The BLUF domain constructs AppA 148 (consisting of amino-acid residues 1-148) and AppA 126 (amino-acid residues 1-126) are investigated. The cofactor of the investigated domains is found to consist of a mixture of the flavins riboflavin, FMN, and FAD. The dark-adapted domains exist in two different active receptor conformations (receptor states) with different sub-nanosecond fluorescence lifetimes (BLUF r,f and BLUF r,sl ) and a small non-interacting conformation (BLUF nc ). The active receptor conformations are transformed to putative signalling states (BLUF s,f and BLUF s,sl ) of low fluorescence efficiency and picosecond fluorescence lifetime by blue-light excitation (light-adapted domains). In the dark at room temperature both signalling states recover back to the initial receptor states with a time constant of about 17 min. A quantum yield of signalling state formation of about 25% was determined by intensity dependent transmission measurements. A photo-cycle scheme is presented including photo-induced charge transfer complex formation, charge recombination, and protein binding pocket reorganisation

  12. Synthesis, spectroscopic characterization and thermogravimetric analysis of two series of substituted (metallotetraphenylporphyrins

    Directory of Open Access Journals (Sweden)

    Rasha K. Al-Shewiki

    2017-06-01

    Full Text Available Subsequent treatment of H2TPP(CO2H4 (tetra(p-carboxylic acid phenylporphyrin, 1 with an excess of oxalyl chloride and HNR2 afforded H2TPP(C(ONR24 (R = Me, 2; iPr, 3 with yields exceeding 80%. The porphyrins 2 and 3 could be converted to the corresponding metalloporphyrins MTPP(C(ONR24 (R = Me/iPr for M = Zn (2a, 3a; Cu (2b, 3b; Ni (2c, 3c; Co (2d, 3d by the addition of 3 equiv of anhydrous MCl2 (M = Zn, Cu, Ni, Co to dimethylformamide solutions of 2 and 3 at elevated temperatures. Metalloporphyrins 2a–d and 3a–d were obtained in yields exceeding 60% and have been, as well as 2 and 3, characterized by elemental analysis, electrospray ionization mass spectrometry (ESIMS and IR and UV–vis spectroscopy. Porphyrins 2, 2a–d and 3, 3a–d are not suitable for organic molecular beam deposition (OMBD, which is attributed to their comparatively low thermal stability as determined by thermogravimetric analysis (TG of selected representatives.

  13. Synthesis, spectroscopic characterization and thermogravimetric analysis of two series of substituted (metallo)tetraphenylporphyrins.

    Science.gov (United States)

    Al-Shewiki, Rasha K; Mende, Carola; Buschbeck, Roy; Siles, Pablo F; Schmidt, Oliver G; Rüffer, Tobias; Lang, Heinrich

    2017-01-01

    Subsequent treatment of H 2 TPP(CO 2 H) 4 (tetra( p -carboxylic acid phenyl)porphyrin, 1 ) with an excess of oxalyl chloride and HNR 2 afforded H 2 TPP(C(O)NR 2 ) 4 (R = Me, 2 ; iPr, 3 ) with yields exceeding 80%. The porphyrins 2 and 3 could be converted to the corresponding metalloporphyrins MTPP(C(O)NR 2 ) 4 (R = Me/iPr for M = Zn ( 2a , 3a ); Cu ( 2b , 3b ); Ni ( 2c , 3c ); Co ( 2d , 3d )) by the addition of 3 equiv of anhydrous MCl 2 (M = Zn, Cu, Ni, Co) to dimethylformamide solutions of 2 and 3 at elevated temperatures. Metalloporphyrins 2a - d and 3a - d were obtained in yields exceeding 60% and have been, as well as 2 and 3 , characterized by elemental analysis, electrospray ionization mass spectrometry (ESIMS) and IR and UV-vis spectroscopy. Porphyrins 2 , 2a - d and 3 , 3a - d are not suitable for organic molecular beam deposition (OMBD), which is attributed to their comparatively low thermal stability as determined by thermogravimetric analysis (TG) of selected representatives.

  14. New copper(II) complexes with dopamine hydrochloride and vanillymandelic acid: Spectroscopic and thermal characterization

    Science.gov (United States)

    Mohamed, Gehad G.; Nour El-Dien, F. A.; El-Nahas, R. G.

    2011-10-01

    The dopamine derivatives participate in the regulation of wide variety of physiological functions in the human body and in medication life. Increase and/or decrease in the concentration of dopamine in human body reflect an indication for diseases such as Schizophrenia and/or Parkinson diseases. The Cu(II) chelates with coupled products of dopamine hydrochloride (DO.HCl) and vanillymandelic acid (VMA) with 4-aminoantipyrine (4-AAP) are prepared and characterized. Different physico-chemical techniques namely IR, magnetic and UV-vis spectra are used to investigate the structure of these chelates. Cu(II) forms 1:1 (Cu:DO) and 1:2 (Cu:VMA) chelates. DO behave as a uninegative tridentate ligand in binding to the Cu(II) ion while VMA behaves as a uninegative bidentate ligand. IR spectra show that the DO is coordinated to the Cu(II) ion in a tridentate manner with ONO donor sites of the phenolic- OH, -NH and carbonyl- O, while VMA is coordinated with OO donor sites of the phenolic- OH and -NH. Magnetic moment measurements reveal the presence of Cu(II) chelates in octahedral and square planar geometries with DO and VMA, respectively. The thermal decomposition of Cu(II) complexes is studied using thermogravimetric (TG) and differential thermal analysis (DTA) techniques. The activation thermodynamic parameters, such as, energy of activation, enthalpy, entropy and free energy change of the complexes are evaluated and the relative thermal stability of the complexes are discussed.

  15. Spectroscopic characterization and docking studies of ZnO nanoparticle modified with BSA

    Science.gov (United States)

    Ledesma, Ana E.; Chemes, Doly María; Frías, María de los Angeles; Guauque Torres, Maria del Pilar

    2017-08-01

    Nanoparticles (NP) into a biological environment are an interesting topic for diagnosis and therapy in applications for medicine or environment and the knowledge about this interaction is important from the perspective of safe use of nanomaterials. In the current study, we characterized the type of interaction and the orientation of bovine serum albumin (BSA) adsorbed on ZnO nanoparticle surfaces as a function of size, using molecular docking. To probe experimentally different theoretical hypothesis about the interaction, ZnO-NPs were prepared in aqueous solution, and then were bioconjugated with BSA. Transmission electron microscopy (TEM) and Raman spectroscopy confirm the spherical shape of NP and the irreversible adsorption of BSA on NP surface. Raman and Infrared spectroscopy (FTIR) reveal that BSA interaction with ZnO nanoparticle produced a conformational rearrangement into protein, observing changes in Tyr and Trp environment, a minor percentage of α-helix structure and a more extended chain. The fluorescence analysis demonstrated that when BSA concentration higher than 30 μM is used the signal due to the self-oligomerization of protein overlaps with the ZnO nanoparticle emission. The results predicted that the most probable interaction site is near to domain IB and IIA and ionic interactions are the major responsible for the binding. Thermal stability studies reveals that the denaturalization temperature of BSA increase from 57 °C to 65 °C in presence of ZnO NP and their esterase-like activity was improved.

  16. Spectroscopic Characterization and Nanosafety of Ag-Modified Antibacterial Leather and Leatherette.

    Science.gov (United States)

    Sportelli, Maria Chiara; Picca, Rosaria Anna; Paladini, Federica; Mangone, Annarosa; Giannossa, Lorena Carla; Franco, Cinzia Di; Gallo, Anna Lucia; Valentini, Antonio; Sannino, Alessandro; Pollini, Mauro; Cioffi, Nicola

    2017-07-29

    The development of antibacterial coatings is of great interest from both industry and the consumer's point of view. In this study, we characterized tanned leather and polyurethane leatherette, typically employed in the automotive and footwear industries, which were modified by photo-deposition of antibacterial silver nanoparticles (AgNPs). Material surface chemical composition was investigated in detail by X-ray photoelectron spectroscopy (XPS). The material's antibacterial capability was checked against Escherichia coli and Staphylococcus aureus , as representative microorganisms in cross transmissions. Due to the presence of silver in a nanostructured form, nanosafety issues were considered, as well. Ionic release in contact media, as well as whole nanoparticle release from treated materials, were quantitatively evaluated, thus providing specific information on potential product nanotoxicity, which was further investigated through cytocompatibility MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assays, also after surface abrasion of the materials. The proved negligible nanoparticle release, as well as the controlled release of antibacterial ions, shed light on the materials' potentialities, in terms of both high activity and safety.

  17. Spectroscopic Characterization and Nanosafety of Ag-Modified Antibacterial Leather and Leatherette

    Directory of Open Access Journals (Sweden)

    Maria Chiara Sportelli

    2017-07-01

    Full Text Available The development of antibacterial coatings is of great interest from both industry and the consumer’s point of view. In this study, we characterized tanned leather and polyurethane leatherette, typically employed in the automotive and footwear industries, which were modified by photo-deposition of antibacterial silver nanoparticles (AgNPs. Material surface chemical composition was investigated in detail by X-ray photoelectron spectroscopy (XPS. The material’s antibacterial capability was checked against Escherichia coli and Staphylococcus aureus, as representative microorganisms in cross transmissions. Due to the presence of silver in a nanostructured form, nanosafety issues were considered, as well. Ionic release in contact media, as well as whole nanoparticle release from treated materials, were quantitatively evaluated, thus providing specific information on potential product nanotoxicity, which was further investigated through cytocompatibility MTT (3-(4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide assays, also after surface abrasion of the materials. The proved negligible nanoparticle release, as well as the controlled release of antibacterial ions, shed light on the materials’ potentialities, in terms of both high activity and safety.

  18. Redox properties of iron-bearing clays and MX-80 bentonite – Electrochemical and spectroscopic characterization

    Energy Technology Data Exchange (ETDEWEB)

    Hofstetter, Th. B.; Sosedova, Y.; Gorski, C.; Voegelin, A.; Sander, M.

    2014-03-15

    The characterization of the redox properties of Fe-bearing minerals in the presence and absence of dissolved Fe{sup 2+} is of major relevance for the assessment of redox reactions in natural and engineered environments such as radioactive waste repositories. In this study, we developed an electrochemical approach based on the use of soluble organic electron transfer mediators, which enabled us to quantify the redox properties of Fe-bearing clay minerals, MX- 80 bentonite and combinations of clay minerals, Fe oxides and dissolved Fe{sup 2+}. Using mediated electrochemical oxidation and reduction, we quantified the electron accepting and donating capacities of ferrous smectite SWa-1, Wyoming montmorillonite SWy-2 and MX-80 bentonite at pH 7.5. All structural Fe in clay minerals was redox-active in contrast to that present in other, not further defined phases of MX-80. The materials investigated were redoxactive over a very wide range of Eh-values, that is the Fe{sup 2+}/Fe{sub total} ratio of the minerals changed from 0 to 100 % between +600 and -600 mV (vs. SHE). Redox properties were highly path-dependent due to structural changes of the minerals as revealed from the study of native and redox-cycled clay minerals after repeated reduction and re-oxidation cycles. Irreversible alteration of the mineral structure, however, was less obvious for materials with lower total Fe content such as MX-80 bentonite and SWy-2. Systems containing native montmorillonites (SWy-2 or MX-80), goethite and dissolved Fe{sup 2+} were also able to buffer the reduction potential E{sub H} between 0 and -300 mV. Regardless of their Fe oxidation state, Fe-bearing minerals are redox-active over a wide potential range and therefore very relevant as redox buffers determining the fate of redox-active radionuclides and metals in waste repositories. (authors)

  19. Spectroscopic, scanning laser OBIC, and I-V/QE characterizations of browned EVA solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Pern, F.J. [National Renewable Energy Lab., Golden, CO (United States); Eisgruber, I.L. [Materials Research Group, Inc., Wheat Ridge, CO (United States); Micheels, R.H. [Polestar Technologies, Inc., Needham Hts, MA (United States)

    1996-05-01

    The effects of ethylene-vinyl acetate (EVA) discoloration due to accelerated field or laboratory exposure on the encapsulated silicon (Si) solar cells or EVA/glass laminates were characterized quantitatively by using non-invasive, non-destructive ultraviolet-visible (UV-vis) spectrophotometry, spectrocolorimetry, spectrofluorometry, scanning laser OBIC (optical beam induced current) spectroscopy, and current-voltage (I-V) and quantum efficiency (QE) measurements. The results show that the yellowness index (YI) measured directly over the AR-coated solar cells under the glass superstrate increased from the range of -80 to -90 to the range of -20 to 15 as the EVA changed from clear to brown. The ratio of two fluorescence emission peak areas generally increased from 1.45 to 5.69 as browning increased, but dropped to 4.21 on a darker EVA. For a solar cell with brown EVA in the central region, small-area grating QE measurements and scanning laser OBIC analysis between the brown and clear EVA regions showed that the quantum efficiency loss at 633 nm was 42%-48% of the loss at 488 nm, due to a reduced decrease of transmittance in browned EVA at the longer wavelengths. The portion of the solar cell under the browned EVA showed a decrease of {approximately}36% in efficiency, as compared to the cell efficiency under clear EVA. Transmittance loss at 633 nm was 38% of the loss at 488 nm for a light yellow-brown EVA/glass laminate that showed a small increase of 10 in the yellowness index.

  20. Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of Co(II)- picolinate complex

    Energy Technology Data Exchange (ETDEWEB)

    Tamer, Ömer, E-mail: omertamer@sakarya.edu.tr; Avcı, Davut; Atalay, Yusuf

    2015-11-15

    A cobalt(II) complex of picolinate was synthesized, and its structure was fully characterized by the applying of X-ray diffraction method as well as FT-IR, FT-Raman and UV–vis spectroscopies. In order to both support the experimental results and convert study to more advanced level, density functional theory calculations were performed by using B3LYP level. Single crystal X-ray structural analysis shows that cobalt(II) ion was located to the center of distorted octahedral geometry. The C=O, C=C and C=N stretching vibrations were found as highly active and strong peaks, inducing the molecular charge transfer within Co(II) complex. The small energy gap between frontier molecular orbital energies was another indicator of molecular charge transfer interactions within Co(II) complex. The nonlinear optical properties of Co(II) complex were investigated at DFT/B3LYP level, and the hypepolarizability parameter was found to be decreased due to the presence of inversion symmetry. The natural bond orbital (NBO) analysis was performed to investigate molecular stability, hyperconjugative interactions, intramolecular charge transfer (ICT) and bond strength for Co(II) complex. Finally, molecular electrostatic potential (MEP) and spin density distributions for Co(II) complex were evaluated. - Highlights: • Co(II) complex of picolinate was prepared. • Its FT-IR, FT-Raman and UV–vis spectra were measured. • DFT calculations were performed to support experimental results. • Small HOMO-LUMO energy gap is an indicator of molecular charge transfer. • Spin density localized on Co(II) as well as O and N atoms.

  1. [Study on spectroscopic characterization and property of PES/ micro-nano cellulose composite membrane material].

    Science.gov (United States)

    Tang, Huan-Wei; Zhang, Li-Ping; Li, Shuai; Zhao, Guang-Jie; Qin, Zhu; Sun, Su-Qin

    2010-03-01

    In the present paper, the functional groups of PES/micro-nano cellulose composite membrane materials were characterized by Fourier transform infrared spectroscopy (FTIR). Also, changes in crystallinity in composite membrane materials were analyzed using X-ray diffraction (XRD). The effects of micro-nano cellulose content on hydrophilic property of composite membrane material were studied by measuring hydrophilic angle. The images of support layer structure of pure PES membrane material and composite membrane material were showed with scanning electron microscope (SEM). These results indicated that in the infrared spectrogram, the composite membrane material had characteristic peaks of both PES and micro-nano cellulose without appearance of other new characteristics peaks. It revealed that there were no new functional groups in the composite membrane material, and the level of molecular compatibility was achieved, which was based on the existence of inter-molecular hydrogen bond association between PES and micro-nano cellulose. Due to the existence of micro-nano cellulose, the crystallinity of composite membrane material was increased from 37.7% to 47.9%. The more the increase in micro-nano cellulose mass fraction, the better the van de Waal force and hydrogen bond force between composite membrane material and water were enhanced. The hydrophilic angle of composite membrane material was decreased from 55.8 degrees to 45.8 degrees and the surface energy was raised from 113.7 to 123.5 mN x m(-2). Consequently, the hydrophilic property of composite membrane material was improved. The number of pores in the support layer of composite membrane material was lager than that of pure PES membrane. Apparently, pores were more uniformly distributed.

  2. Redox properties of iron-bearing clays and MX-80 bentonite – Electrochemical and spectroscopic characterization

    International Nuclear Information System (INIS)

    Hofstetter, Th. B.; Sosedova, Y.; Gorski, C.; Voegelin, A.; Sander, M.

    2014-03-01

    The characterization of the redox properties of Fe-bearing minerals in the presence and absence of dissolved Fe"2"+ is of major relevance for the assessment of redox reactions in natural and engineered environments such as radioactive waste repositories. In this study, we developed an electrochemical approach based on the use of soluble organic electron transfer mediators, which enabled us to quantify the redox properties of Fe-bearing clay minerals, MX- 80 bentonite and combinations of clay minerals, Fe oxides and dissolved Fe"2"+. Using mediated electrochemical oxidation and reduction, we quantified the electron accepting and donating capacities of ferrous smectite SWa-1, Wyoming montmorillonite SWy-2 and MX-80 bentonite at pH 7.5. All structural Fe in clay minerals was redox-active in contrast to that present in other, not further defined phases of MX-80. The materials investigated were redoxactive over a very wide range of Eh-values, that is the Fe"2"+/Fe_t_o_t_a_l ratio of the minerals changed from 0 to 100 % between +600 and -600 mV (vs. SHE). Redox properties were highly path-dependent due to structural changes of the minerals as revealed from the study of native and redox-cycled clay minerals after repeated reduction and re-oxidation cycles. Irreversible alteration of the mineral structure, however, was less obvious for materials with lower total Fe content such as MX-80 bentonite and SWy-2. Systems containing native montmorillonites (SWy-2 or MX-80), goethite and dissolved Fe"2"+ were also able to buffer the reduction potential E_H between 0 and -300 mV. Regardless of their Fe oxidation state, Fe-bearing minerals are redox-active over a wide potential range and therefore very relevant as redox buffers determining the fate of redox-active radionuclides and metals in waste repositories. (authors)

  3. Spectroscopic characterization and docking studies of ZnO nanoparticle modified with BSA

    International Nuclear Information System (INIS)

    Ledesma, Ana E.; Chemes, Doly María; Frías, María de los Angeles; Guauque Torres, Maria del Pilar

    2017-01-01

    Highlights: • The ZnO NPs have synthesized at moderate temperature and conjugated with BSA to elucidate the characteristics of best binding site in the protein cavity. • The Docking studies have successfully applied to identify the amino acids residues involved in the interaction. • The cytotoxicity of ZnO NPs and ZnO-BSA NPs and esterase-like activity of the protein have evaluated, with very promising results for medical applications. - Abstract: Nanoparticles (NP) into a biological environment are an interesting topic for diagnosis and therapy in applications for medicine or environment and the knowledge about this interaction is important from the perspective of safe use of nanomaterials. In the current study, we characterized the type of interaction and the orientation of bovine serum albumin (BSA) adsorbed on ZnO nanoparticle surfaces as a function of size, using molecular docking. To probe experimentally different theoretical hypothesis about the interaction, ZnO-NPs were prepared in aqueous solution, and then were bioconjugated with BSA. Transmission electron microscopy (TEM) and Raman spectroscopy confirm the spherical shape of NP and the irreversible adsorption of BSA on NP surface. Raman and Infrared spectroscopy (FTIR) reveal that BSA interaction with ZnO nanoparticle produced a conformational rearrangement into protein, observing changes in Tyr and Trp environment, a minor percentage of α-helix structure and a more extended chain. The fluorescence analysis demonstrated that when BSA concentration higher than 30 μM is used the signal due to the self-oligomerization of protein overlaps with the ZnO nanoparticle emission. The results predicted that the most probable interaction site is near to domain IB and IIA and ionic interactions are the major responsible for the binding. Thermal stability studies reveals that the denaturalization temperature of BSA increase from 57 °C to 65 °C in presence of ZnO NP and their esterase-like activity was

  4. Spectroscopic characterization and docking studies of ZnO nanoparticle modified with BSA

    Energy Technology Data Exchange (ETDEWEB)

    Ledesma, Ana E., E-mail: anael@unse.edu.ar [CITSE-UNSE, CONICET, FCEyT, RN 9, km 1125, 4206 Santiago del Estero (Argentina); Chemes, Doly María [INQUINOA, UNT, CONICET, FBQyF, San Lorenzo 456, San Miguel de Tucumán CPA T4000ILI, Tucumán (Argentina); Frías, María de los Angeles [Laboratory of Biointerphases and Biomimetic Systems, (CITSE) National University of Santiago del Estero and CONICET, 4206, RN 9- Km 1125, Santiago del Estero (Argentina); Guauque Torres, Maria del Pilar [CITSE-UNSE, CONICET, FCEyT, RN 9, km 1125, 4206 Santiago del Estero (Argentina)

    2017-08-01

    Highlights: • The ZnO NPs have synthesized at moderate temperature and conjugated with BSA to elucidate the characteristics of best binding site in the protein cavity. • The Docking studies have successfully applied to identify the amino acids residues involved in the interaction. • The cytotoxicity of ZnO NPs and ZnO-BSA NPs and esterase-like activity of the protein have evaluated, with very promising results for medical applications. - Abstract: Nanoparticles (NP) into a biological environment are an interesting topic for diagnosis and therapy in applications for medicine or environment and the knowledge about this interaction is important from the perspective of safe use of nanomaterials. In the current study, we characterized the type of interaction and the orientation of bovine serum albumin (BSA) adsorbed on ZnO nanoparticle surfaces as a function of size, using molecular docking. To probe experimentally different theoretical hypothesis about the interaction, ZnO-NPs were prepared in aqueous solution, and then were bioconjugated with BSA. Transmission electron microscopy (TEM) and Raman spectroscopy confirm the spherical shape of NP and the irreversible adsorption of BSA on NP surface. Raman and Infrared spectroscopy (FTIR) reveal that BSA interaction with ZnO nanoparticle produced a conformational rearrangement into protein, observing changes in Tyr and Trp environment, a minor percentage of α-helix structure and a more extended chain. The fluorescence analysis demonstrated that when BSA concentration higher than 30 μM is used the signal due to the self-oligomerization of protein overlaps with the ZnO nanoparticle emission. The results predicted that the most probable interaction site is near to domain IB and IIA and ionic interactions are the major responsible for the binding. Thermal stability studies reveals that the denaturalization temperature of BSA increase from 57 °C to 65 °C in presence of ZnO NP and their esterase-like activity was

  5. Ellipsometry measurements of glass transition breadth in bulk films of random, block, and gradient copolymers.

    Science.gov (United States)

    Mok, M M; Kim, J; Marrou, S R; Torkelson, J M

    2010-03-01

    Bulk films of random, block and gradient copolymer systems were studied using ellipsometry to demonstrate the applicability of the numerical differentiation technique pioneered by Kawana and Jones for studying the glass transition temperature (T (g)) behavior and thermal expansivities of copolymers possessing different architectures and different levels of nanoheterogeneity. In a series of styrene/n -butyl methacrylate (S/nBMA) random copolymers, T (g) breadths were observed to increase from approximately 17( degrees ) C in styrene-rich cases to almost 30( degrees ) C in nBMA-rich cases, reflecting previous observations of significant nanoheterogeneity in PnBMA homopolymers. The derivative technique also revealed for the first time a substantial increase in glassy-state expansivity with increasing nBMA content in S/nBMA random copolymers, from 1.4x10(-4) K-1 in PS to 3.5x10(-4) K-1 in PnBMA. The first characterization of block copolymer T (g) 's and T (g) breadths by ellipsometry is given, examining the impact of nanophase-segregated copolymer structure on ellipsometric measurements of glass transition. The results show that, while the technique is effective in detecting the two T (g) 's expected in certain block copolymer systems, the details of the glass transition can become suppressed in ellipsometry measurements of a rubbery minor phase under conditions where the matrix is glassy; meanwhile, both transitions are easily discernible by differential scanning calorimetry. Finally, broad glass transition regions were measured in gradient copolymers, yielding in some cases extraordinary T (g) breadths of 69- 71( degrees ) C , factors of 4-5 larger than the T (g) breadths of related homopolymers and random copolymers. Surprisingly, one gradient copolymer demonstrated a slightly narrower T (g) breadth than the S/nBMA random copolymers with the highest nBMA content. This highlights the fact that nanoheterogeneity relevant to the glass transition response in selected

  6. Application of imaging spectroscopic reflectometry for characterization of gold reduction from organometallic compound by means of plasma jet technology

    Energy Technology Data Exchange (ETDEWEB)

    Vodák, Jiří, E-mail: jiri.vodak@yahoo.com [Institute of Physical Engineering, Faculty of Mechanical Engineering, Brno University of Technology, Technická 2, 616 69 Brno (Czech Republic); Nečas, David [RG Plasma Technologies, CEITEC Masaryk University, Kamenice 5, 625 00 Brno (Czech Republic); Pavliňák, David [Department of Physical Electronics, Masaryk University, Kotlářská 2, 611 37 Brno (Czech Republic); Macak, Jan M [Center of Materials and Nanotechnologies, Faculty of Chemical Technology, University of Pardubice, Nám. Čs. Legií 565, 530 02 Pardubice (Czech Republic); Řičica, Tomáš; Jambor, Roman [Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 532 10 Pardubice (Czech Republic); Ohlídal, Miloslav [Institute of Physical Engineering, Faculty of Mechanical Engineering, Brno University of Technology, Technická 2, 616 69 Brno (Czech Republic); Institute of Physics, Faculty of Mining and Geology, VŠB – Technical University of Ostrava (Czech Republic)

    2017-02-28

    Highlights: • Metallic gold is reduced from an organometallic compound layer using a plasma jet. • Imaging spectroscopic reflectometry is used to locate areas with metallic gold. • The results are completed with XPS and optical microscopy observations. - Abstract: This work presents a new application of imaging spectroscopic reflectometry to determine a distribution of metallic gold in a layer of an organogold precursor which was treated by a plasma jet. Gold layers were prepared by spin coating from a solution of the precursor containing a small amount of polyvinylpyrrolidone on a microscopy glass, then they were vacuum dried. A difference between reflectivity of metallic gold and the precursor was utilized by imaging spectroscopic reflectometry to create a map of metallic gold distribution using a newly developed model of the studied sample. The basic principle of the imaging spectroscopic reflectometry is also shown together with the data acquisition principles. XPS measurements and microscopy observations were made to complete the imaging spectroscopic reflectometry results. It is proved that the imaging spectroscopic reflectometry represents a new method for quantitative evaluation of local reduction of metallic components from metaloorganic compounds.

  7. In situ detection and characterization of potable water biofilms on materials by microscopic, spectroscopic and electrochemistry methods

    Energy Technology Data Exchange (ETDEWEB)

    Gamby, Jean [Universite Pierre et Marie Curie - Paris 6, CNRS-UPR 15, Laboratoire Interfaces et Systemes Electrochimiques, 4 Place Jussieu, Case Courrier 133, 75252 Paris Cedex 05 (France)], E-mail: jean.gamby@upmc.fr; Pailleret, Alain [Universite Pierre et Marie Curie - Paris 6, CNRS-UPR 15, Laboratoire Interfaces et Systemes Electrochimiques, 4 Place Jussieu, Case Courrier 133, 75252 Paris Cedex 05 (France); Clodic, Carol Boucher; Pradier, Claire-Marie [Universite Pierre et Marie Curie - Paris 6, CNRS-UMR 7609, Laboratoire de Reactivite de Surface, 4 Place Jussieu, Case Courrier 178, 75252 Paris Cedex 05 (France); Tribollet, Bernard [Universite Pierre et Marie Curie - Paris 6, CNRS-UPR 15, Laboratoire Interfaces et Systemes Electrochimiques, 4 Place Jussieu, Case Courrier 133, 75252 Paris Cedex 05 (France)

    2008-12-01

    We studied biofilm formation on stainless steel occurring in a drinking water distribution system which operated in parallel at 20 and 37 deg. C, in order to focus on the effect of temperature rather than on other operational and water quality parameters. A surface conditioning step was followed as a function of time on this material until adhesion of bacterial colonies by using microscopic methods: scanning electron microscopy (SEM) and atomic force microscopy (AFM); a spectroscopic method: polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS), and an electrochemical method: rotating disk electrode (RDE). Correlations between surface analysis, the duration of immersion of the sample and the influence of temperature have been identified clearly before bacterial adhesion. In cold water, these results showed an initial conditioning step of surface occurring during the first 8 days, with detection of superficial acidic functions grafted on surface, until adsorption of proteins. After 12 days, formation of independent bacteria microcolonies, reaching 2-3 {mu}m in length was observed. In tepid water, the first step was reduced to 2 days during which carbonates, acidic functions, and proteins were detected. After 90 days, the biofilm entered in a stable population state, which appeared as a bacteria rich film, including possibly Legionella. The spatial variation of the biofilm was limited as deduced from the thickness determination (about 4 {mu}m for 3-month period), using a RDE. The combination of these different techniques confirms successive steps for biofilm formation on stainless steel in a tap water. Then, we scrutinized the external near environment of bacteria including extracellular polymeric substances (EPS) and then further characterize the morphology of dominant bacteria (shape, size, flagellum) on gold substrate by AFM in air.

  8. Magnetic Resonance Spectroscopic Imaging of Tumor Metabolic Markers for Cancer Diagnosis, Metabolic Phenotyping, and Characterization of Tumor Microenvironment

    Directory of Open Access Journals (Sweden)

    Qiuhong He

    2004-01-01

    Full Text Available Cancer cells display heterogeneous genetic characteristics, depending on the tumor dynamic microenvironment. Abnormal tumor vasculature and poor tissue oxygenation generate a fraction of hypoxic tumor cells that have selective advantages in metastasis and invasion and often resist chemo- and radiation therapies. The genetic alterations acquired by tumors modify their biochemical pathways, which results in abnormal tumor metabolism. An elevation in glycolysis known as the “Warburg effect” and changes in lipid synthesis and oxidation occur. Magnetic resonance spectroscopy (MRS has been used to study tumor metabolism in preclinical animal models and in clinical research on human breast, brain, and prostate cancers. This technique can identify specific genetic and metabolic changes that occur in malignant tumors. Therefore, the metabolic markers, detectable by MRS, not only provide information on biochemical changes but also define different metabolic tumor phenotypes. When combined with the contrast-enhanced Magnetic Resonance Imaging (MRI, which has a high sensitivity for cancer diagnosis, in vivo magnetic resonance spectroscopic imaging (MRSI improves the diagnostic specificity of malignant human cancers and is becoming an important clinical tool for cancer management and care. This article reviews the MRSI techniques as molecular imaging methods to detect and quantify metabolic changes in various tumor tissue types, especially in extracranial tumor tissues that contain high concentrations of fat. MRI/MRSI methods have been used to characterize tumor microenvironments in terms of blood volume and vessel permeability. Measurements of tissue oxygenation and glycolytic rates by MRS also are described to illustrate the capability of the MR technology in probing molecular information non-invasively in tumor tissues and its important potential for studying molecular mechanisms of human cancers in physiological conditions.

  9. In situ detection and characterization of potable water biofilms on materials by microscopic, spectroscopic and electrochemistry methods

    International Nuclear Information System (INIS)

    Gamby, Jean; Pailleret, Alain; Clodic, Carol Boucher; Pradier, Claire-Marie; Tribollet, Bernard

    2008-01-01

    We studied biofilm formation on stainless steel occurring in a drinking water distribution system which operated in parallel at 20 and 37 deg. C, in order to focus on the effect of temperature rather than on other operational and water quality parameters. A surface conditioning step was followed as a function of time on this material until adhesion of bacterial colonies by using microscopic methods: scanning electron microscopy (SEM) and atomic force microscopy (AFM); a spectroscopic method: polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS), and an electrochemical method: rotating disk electrode (RDE). Correlations between surface analysis, the duration of immersion of the sample and the influence of temperature have been identified clearly before bacterial adhesion. In cold water, these results showed an initial conditioning step of surface occurring during the first 8 days, with detection of superficial acidic functions grafted on surface, until adsorption of proteins. After 12 days, formation of independent bacteria microcolonies, reaching 2-3 μm in length was observed. In tepid water, the first step was reduced to 2 days during which carbonates, acidic functions, and proteins were detected. After 90 days, the biofilm entered in a stable population state, which appeared as a bacteria rich film, including possibly Legionella. The spatial variation of the biofilm was limited as deduced from the thickness determination (about 4 μm for 3-month period), using a RDE. The combination of these different techniques confirms successive steps for biofilm formation on stainless steel in a tap water. Then, we scrutinized the external near environment of bacteria including extracellular polymeric substances (EPS) and then further characterize the morphology of dominant bacteria (shape, size, flagellum) on gold substrate by AFM in air

  10. LaPO4:Eu fluorescent nanorods, synthesis, characterization and spectroscopic studies on interaction with human serum albumin

    Science.gov (United States)

    Guo, Xingjia; Yao, Jie; Liu, Xuehui; Wang, Hongyan; Zhang, Lizhi; Xu, Liping; Hao, Aijun

    2018-06-01

    Eu3+ doped LaPO4 fluorescent nanorods (LaPO4:Eu) was successfully fabricated by a hydrothermal process. The obtained LaPO4:Eu nanorods under the optimal conditions were characterized by means of transmission electron microscopy (TEM), X-ray diffraction (XRD) technique, Fourier transform infrared (FTIR), UV-vis absorption and fluorescence spectroscopy. The nanorods with a length of 50-100 nm and a diameter of about 10 nm, can emit strong red fluorescence upon excitation at 241 nm. The FTIR result confirmed that there are lots of phosphate groups on the surfaces of nanorods. In order to better understand the physiological behavior of nanorods in human body, multiple spectroscopic methods were used to study the interaction between the LaPO4:Eu nanorods and human serum albumin (HSA) in the simulated physiological conditions. The results indicated that the nanorods can effectively quench the intrinsic fluorescence of HSA through a dynamic quenching mode with the association constants of the order of 103 L mol-1. The values of the thermodynamic parameters suggested that the binding of the nanorods to HSA was a spontaneous process and van der Waals forces and hydrogen bonds played a predominant role. The displacement experiments verified that the binding site of nanorods on HSA was mainly located in the hydrophobic pocket of subdomain IIA (site I) of HSA. The binding distance between nanorods and HSA was calculated to be 4.2 nm according to the theory of Förster non-radiation energy transfer. The analysis of synchronous fluorescence, three-dimensional fluorescence (3D) and circular dichroism (CD) spectra indicated that there the addition of LaPO4:Eu nanorods did not caused significant alterations in conformation of HSA secondary structure and the polarity around the amino acid residues.

  11. Measurement of the surface susceptibility and the surface conductivity of atomically thin by spectroscopic ellipsometry

    KAUST Repository

    Jayaswal, Gaurav; Dai, Zhenyu; Zhang, Xixiang; Bagnarol, Mirko; Martucci, Alessandro; Merano, Michele

    2017-01-01

    We show how to correctly extract from the ellipsometric data the surface susceptibility and the surface conductivity that describe the optical properties of monolayer $\\rm MoS_2$. Theoretically, these parameters stem from modelling a single-layer two-dimensional crystal as a surface current, a truly two-dimensional model. Currently experimental practice is to consider this model equivalent to a homogeneous slab with an effective thickness given by the interlayer spacing of the exfoliating bulk material. We prove that the error in the evaluation of the surface susceptibility of monolayer $\\rm MoS_2$, owing to the use of the slab model, is at least 10% or greater, a significant discrepancy in the determination of the optical properties of this material.

  12. In-situ spectroscopic ellipsometry for studies of thin films and membranes

    NARCIS (Netherlands)

    Ogieglo, Wojciech

    2014-01-01

    The properties of a thin polymer film can be significantly affected by the presence of a penetrant. It is also known that the behavior of ultra-thin polymer films (<100 nm) may deviate from the bulk behavior. This sole impact of film thickness reduction is often referred to as a nano-confinement

  13. Measurement of the surface susceptibility and the surface conductivity of atomically thin by spectroscopic ellipsometry

    KAUST Repository

    Jayaswal, Gaurav

    2017-10-01

    We show how to correctly extract from the ellipsometric data the surface susceptibility and the surface conductivity that describe the optical properties of monolayer $\\ m MoS_2$. Theoretically, these parameters stem from modelling a single-layer two-dimensional crystal as a surface current, a truly two-dimensional model. Currently experimental practice is to consider this model equivalent to a homogeneous slab with an effective thickness given by the interlayer spacing of the exfoliating bulk material. We prove that the error in the evaluation of the surface susceptibility of monolayer $\\ m MoS_2$, owing to the use of the slab model, is at least 10% or greater, a significant discrepancy in the determination of the optical properties of this material.

  14. Accurate spectroscopic characterization of oxirane: A valuable route to its identification in Titan's atmosphere and the assignment of unidentified infrared bands

    Energy Technology Data Exchange (ETDEWEB)

    Puzzarini, Cristina [Dipartimento di Chimica " Giacomo Ciamician," Università di Bologna, Via Selmi 2, I-40126 Bologna (Italy); Biczysko, Malgorzata; Bloino, Julien; Barone, Vincenzo, E-mail: cristina.puzzarini@unibo.it [Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56126 Pisa (Italy)

    2014-04-20

    In an effort to provide an accurate spectroscopic characterization of oxirane, state-of-the-art computational methods and approaches have been employed to determine highly accurate fundamental vibrational frequencies and rotational parameters. Available experimental data were used to assess the reliability of our computations, and an accuracy on average of 10 cm{sup –1} for fundamental transitions as well as overtones and combination bands has been pointed out. Moving to rotational spectroscopy, relative discrepancies of 0.1%, 2%-3%, and 3%-4% were observed for rotational, quartic, and sextic centrifugal-distortion constants, respectively. We are therefore confident that the highly accurate spectroscopic data provided herein can be useful for identification of oxirane in Titan's atmosphere and the assignment of unidentified infrared bands. Since oxirane was already observed in the interstellar medium and some astronomical objects are characterized by very high D/H ratios, we also considered the accurate determination of the spectroscopic parameters for the mono-deuterated species, oxirane-d1. For the latter, an empirical scaling procedure allowed us to improve our computed data and to provide predictions for rotational transitions with a relative accuracy of about 0.02% (i.e., an uncertainty of about 40 MHz for a transition lying at 200 GHz).

  15. Isolation, characterization, spectroscopic properties and quantum chemical computations of an important phytoalexin resveratrol as antioxidant component from Vitis labrusca L. and their chemical compositions

    Science.gov (United States)

    Güder, Aytaç; Korkmaz, Halil; Gökce, Halil; Alpaslan, Yelda Bingöl; Alpaslan, Gökhan

    2014-12-01

    In this study, isolation and characterization of trans-resveratrol (RES) as an antioxidant compound were carried out from VLE, VLG and VLS. Furthermore, antioxidant activities were evaluated by using six different methods. Finally, total phenolic, flavonoid, ascorbic acid, anthocyanin, lycopene, β-carotene and vitamin E contents were carried out. In addition, the FT-IR, 13C and 1H NMR chemical shifts and UV-vis. spectra of trans-resveratrol were experimentally recorded. Quantum chemical computations such as the molecular geometry, vibrational frequencies, UV-vis. spectroscopic parameters, HOMOs-LUMOs energies, molecular electrostatic potential (MEP), natural bond orbitals (NBO) and nonlinear optics (NLO) properties of title molecule have been calculated by using DFT/B3PW91 method with 6-311++G(d,p) basis set in ground state for the first time. The obtained results show that the calculated spectroscopic data are in a good agreement with experimental data.

  16. SYNTHESIS, SPECTROSCOPIC CHARACTERIZATION AND ...

    African Journals Online (AJOL)

    userpc

    ABSTRACT. A tridendatate Schiff base,L, 2-((2-hydroxynaphthalen-1-yl) methyleneamino)benzoic acid was prepared by condensation of 2-aminobenzoic acid with 2-hydroxy-1-naphthaldehyde.The prepared ligand was used to synthesize Sm(III) and Dy(III) complexes [LnL(NO3)2]NO3.2H2O,. (Ln=Sm(III) and Dy(III)).

  17. Optical characterizations of silver nanoprisms embedded in polymer thin film layers

    Science.gov (United States)

    Carlberg, Miriam; Pourcin, Florent; Margeat, Olivier; Le Rouzo, Judikael; Berginc, Gerard; Sauvage, Rose-Marie; Ackermann, Jorg; Escoubas, Ludovic

    2017-10-01

    The precise control of light-matter interaction has a wide range of applications and is currently driven by the use of nanoparticles (NPs) by the recent advances in nanotechnology. Taking advantage of the material, size, shape, and surrounding media dependence of the optical properties of plasmonic NPs, thin film layers with tunable optical properties are achieved. The NPs are synthesized by wet chemistry and embedded in a polyvinylpyrrolidone (PVP) polymer thin film layer. Spectrophotometer and spectroscopic ellipsometry measurements are coupled to finite-difference time domain numerical modeling to optically characterize the heterogeneous thin film layers. Silver nanoprisms of 10 to 50 nm edge size exhibit high absorption through the visible wavelength range. A simple optical model composed of a Cauchy law and a Lorentz law, accounting for the optical properties of the nonabsorbing polymer and the absorbing property of the nanoprisms, fits the spectroscopic ellipsometry measurements. Knowing the complex optical indices of heterogeneous thin film layers let us design layers of any optical properties.

  18. Deficiency of standard effective-medium approximation for ellipsometry of layers of nanoparticles

    Czech Academy of Sciences Publication Activity Database

    Bortchagovsky, E. G.; Dejneka, Alexandr; Jastrabík, Lubomír; Lozovski, V.Z.; Mishakova, T.O.

    2015-01-01

    Roč. 2015, Nov (2015), s. 602848 ISSN 1687-4110 Institutional support: RVO:68378271 Keywords : ellipsometry * layers of nanoparticles * Green function in ?-? representation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.758, year: 2015

  19. Electrochemical and spectroscopic characterization of lithium titanate spinel Li{sub 4}Ti{sub 5}O{sub 12}

    Energy Technology Data Exchange (ETDEWEB)

    Schneider, Holger; Maire, Pascal [Paul Scherrer Institut, Electrochemistry Laboratory, Section Electrochemical Energy Storage, CH-5232 Villigen PSI (Switzerland); Novak, Petr, E-mail: petr.novak@psi.ch [Paul Scherrer Institut, Electrochemistry Laboratory, Section Electrochemical Energy Storage, CH-5232 Villigen PSI (Switzerland)

    2011-10-30

    Herein we describe electrochemical and spectroscopic properties of lithium titanate spinel as well as an easy method based on colorimetry to determine the lithium content of electrodes containing lithium titanate spinel as active material. Raman microspectrometry measurements have been performed to follow lithium insertion into and extraction from the active material, respectively. The Raman signals display a pronounced fading of intensity already at low levels of lithium intercalation and disappear at a SOC higher than {approx}10%. However, the colorimetric method can be used up to a SOC of 50%.

  20. Phase-dependent Photometric and Spectroscopic Characterization of the MASTER-Net Optical Transient J212444.87+321738.3: An Oxygen-rich Mira

    Science.gov (United States)

    Ghosh, Supriyo; Mondal, Soumen; Das, Ramkrishna; Banerjee, D. P. K.; Ashok, N. M.; Hambsch, Franz-Josef; Dutta, Somnath

    2018-05-01

    We describe the time-dependent properties of a new spectroscopically confirmed Mira variable, which was discovered in 2013 as MASTER-Net Optical Transient J212444.87+321738.3 toward the Cygnus constellation. We have performed long-term optical/near-infrared (NIR) photometric and spectroscopic observations to characterize the object. From the optical/NIR light curves, we estimate a variability period of 465 ± 30 days. The wavelength-dependent amplitudes of the observed light curves range from ΔI ∼ 4 mag to ΔK ∼ 1.5 mag. The (J ‑ K) color index varies from 1.78 to 2.62 mag over phases. Interestingly, a phase lag of ∼60 days between optical and NIR light curves is also seen, as in other Miras. Our optical/NIR spectra show molecular features of TiO, VO, CO, and strong water bands that are a typical signature of oxygen-rich Mira. We rule out S- or C-type as ZrO bands at 1.03 and 1.06 μm and C2 band at 1.77 μm are absent. We estimate the effective temperature of the object from the Spectral Energy Distribution, and distance and luminosity from standard Period–Luminosity relations. The optical/NIR spectra display time-dependent atomic and molecular features (e.g., TiO, Na I, Ca I, H2O, CO), as commonly observed in Miras. Such spectroscopic observations are useful for studying pulsation variability in Miras.

  1. Case study on the dynamics of ultrafast laser heating and ablation of gold thin films by ultrafast pump-probe reflectometry and ellipsometry

    Science.gov (United States)

    Pflug, T.; Wang, J.; Olbrich, M.; Frank, M.; Horn, A.

    2018-02-01

    To increase the comprehension of ultrafast laser ablation, the ablation process has to be portrayed with sufficient temporal resolution. For example, the temporal modification of the complex refractive index {\\tilde{n}} and the relative reflectance of a sample material after irradiation with ultrafast single-pulsed laser radiation can be measured with a pump-probe setup. This work describes the construction and validation of a pump-probe setup enabling spatially, temporally, and spectroscopically resolved Brewster angle microscopy, reflectometry, ellipsometry, and shadow photography. First pump-probe reflectometry and ellipsometry measurements are performed on gold at λ _{probe}= 440 nm and three fluences of the single-pulsed pump radiation at λ _{pump}= 800 nm generating no, gentle, and strong ablation. The relative reflectance overall increases at no and gentle ablation. At strong ablation, the relative reflectance locally decreases, presumable caused by emitted thermal electrons, ballistic electrons, and ablating material. The refractive index n is slightly decreasing after excitation, while the extinction coefficient k is increasing.

  2. Characterization of the Elusive Conformers of Glycine from State-of-the-Art Structural, Thermodynamic, and Spectroscopic Computations: Theory Complements Experiment.

    Science.gov (United States)

    Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Puzzarini, Cristina

    2013-03-12

    A state-of-the-art computational strategy for the evaluation of accurate molecular structures as well as thermodynamic and spectroscopic properties along with the direct simulation of infrared (IR) and Raman spectra is established, validated (on the basis of the experimental data available for the Ip glycine conformer) and then used to provide a reliable and accurate characterization of the elusive IVn/gtt and IIIp/tct glycine conformers. The integrated theoretical model proposed is based on accurate post-Hartree-Fock computations (involving composite schemes) of energies, structures, properties, and harmonic force fields coupled to DFT corrections for the proper inclusion of vibrational effects at an anharmonic level (as provided by general second-order perturbative approach). It is shown that the approach presented here allows the evaluation of structural, thermodynamic, and spectroscopic properties with an overall accuracy of about, or better than, 0.001 Å, 20 MHz, 1 kJ·mol(-1), and 10 cm(-1) for bond distances, rotational constants, conformational enthalpies, and vibrational frequencies, respectively. The high accuracy of the computational results allows one to support and complement experimental studies, thus providing (i) an unequivocal identification of several conformers concomitantly present in the experimental mixture and (ii) data not available or difficult to experimentally derive.

  3. Analysis of protein interactions at native chloroplast membranes by ellipsometry.

    Directory of Open Access Journals (Sweden)

    Verena Kriechbaumer

    Full Text Available Membrane bound receptors play vital roles in cell signaling, and are the target for many drugs, yet their interactions with ligands are difficult to study by conventional techniques due to the technical difficulty of monitoring these interactions in lipid environments. In particular, the ability to analyse the behaviour of membrane proteins in their native membrane environment is limited. Here, we have developed a quantitative approach to detect specific interactions between low-abundance chaperone receptors within native chloroplast membranes and their soluble chaperone partners. Langmuir-Schaefer film deposition was used to deposit native chloroplasts onto gold-coated glass slides, and interactions between the molecular chaperones Hsp70 and Hsp90 and their receptors in the chloroplast membranes were detected and quantified by total internal reflection ellipsometry (TIRE. We show that native chloroplast membranes deposited on gold-coated glass slides using Langmuir-Schaefer films retain functional receptors capable of binding chaperones with high specificity and affinity. Taking into account the low chaperone receptor abundance in native membranes, these binding properties are consistent with data generated using soluble forms of the chloroplast chaperone receptors, OEP61 and Toc64. Therefore, we conclude that chloroplasts have the capacity to selectively bind chaperones, consistent with the notion that chaperones play an important role in protein targeting to chloroplasts. Importantly, this method of monitoring by TIRE does not require any protein labelling. This novel combination of techniques should be applicable to a wide variety of membranes and membrane protein receptors, thus presenting the opportunity to quantify protein interactions involved in fundamental cellular processes, and to screen for drugs that target membrane proteins.

  4. Structural and optical characterization of porous anodic aluminum oxide

    International Nuclear Information System (INIS)

    Galca, Aurelian C.; Kooij, E. Stefan; Wormeester, Herbert; Salm, Cora; Leca, Victor; Rector, Jan H.; Poelsema, Bene

    2003-01-01

    Spectroscopic ellipsometry and scanning electron microscopy (SEM) experiments are employed to characterize porous aluminum oxide obtained by anodization of thin aluminum films. Rutherford backscattering spectra and x-ray diffraction experiments provide information on the composition and the structure of the samples. Results on our thin film samples with a well-defined geometry show that anodization of aluminum is reproducible and results in a porous aluminum oxide network with randomly distributed, but perfectly aligned cylindrical pores perpendicular to the substrate. The ellipsometry spectra are analyzed using an anisotropic optical model, partly based on the original work by Bruggeman. The model adequately describes the optical response of the anodized film in terms of three physically relevant parameters: the film thickness, the cylinder fraction, and the nanoporosity of the aluminum oxide matrix. Values of the first two quantities, obtained from fitting the spectra, are in perfect agreement with SEM results, when the nanoporosity of the aluminum oxide matrix is taken into account. The validity of our optical model was verified over a large range of cylinder fractions, by widening of the pores through chemical etching in phosphoric acid. While the cylinder fraction increases significantly with etch time and etchant concentration, the nanoporosity remains almost unchanged. Additionally, based on a simple model considering a linear etch rate, the concentration dependence of the etch rate was determined

  5. Dimensional characterization of biperiodic imprinted structures using optical scatterometry

    KAUST Repository

    Gereige, Issam

    2013-12-01

    In this paper, we report on the characterization of biperiodic imprinted structures using a non-destructive optical technique commonly called scatterometry. The nanostructures consist of periodic arrays of square and circular dots which were imprinted in a thermoplastic polymer by thermal nanoimprint lithography. Optical measurements were performed using spectroscopic ellipsometry in the spectral region of 1.5-4 eV. The geometrical profiles of the imprinted structures were reconstructed using the Rigorous Coupled-Wave Analysis (RCWA) to model the diffraction phenomena by periodic gratings. The technique was also adapted for large scale evaluation of the imprint process. Uniqueness of the solution was examined by analyzing the diffraction of the structure at different experimental conditions, for instance at various angles of incidence. © 2013 Elsevier B.V. All rights reserved.

  6. Spectroscopic and photoacoustic characterization of encapsulated iron oxide super-paramagnetic nanoparticles as a new multiplatform contrast agent

    Science.gov (United States)

    Armanetti, Paolo; Flori, Alessandra; Avigo, Cinzia; Conti, Luca; Valtancoli, Barbara; Petroni, Debora; Doumett, Saer; Cappiello, Laura; Ravagli, Costanza; Baldi, Giovanni; Bencini, Andrea; Menichetti, Luca

    2018-06-01

    Recently, a number of photoacoustic (PA) agents with increased tissue penetration and fine spatial resolution have been developed for molecular imaging and mapping of pathophysiological features at the molecular level. Here, we present bio-conjugated near-infrared light-absorbing magnetic nanoparticles as a new agent for PA imaging. These nanoparticles exhibit suitable absorption in the near-infrared region, with good photoacoustic signal generation efficiency and high photo-stability. Furthermore, these encapsulated iron oxide nanoparticles exhibit strong super-paramagnetic behavior and nuclear relaxivities that make them useful as magnetic resonance imaging (MRI) contrast media as well. Their simple bio-conjugation strategy, optical and chemical stability, and straightforward manipulation could enable the development of a PA probe with magnetic and spectroscopic properties suitable for in vitro and in vivo real-time imaging of relevant biological targets.

  7. Mapping tropical biodiversity using spectroscopic imagery : characterization of structural and chemical diversity with 3-D radiative transfer modeling

    Science.gov (United States)

    Feret, J. B.; Gastellu-Etchegorry, J. P.; Lefèvre-Fonollosa, M. J.; Proisy, C.; Asner, G. P.

    2014-12-01

    The accelerating loss of biodiversity is a major environmental trend. Tropical ecosystems are particularly threatened due to climate change, invasive species, farming and natural resources exploitation. Recent advances in remote sensing of biodiversity confirmed the potential of high spatial resolution spectroscopic imagery for species identification and biodiversity mapping. Such information bridges the scale-gap between small-scale, highly detailed field studies and large-scale, low-resolution satellite observations. In order to produce fine-scale resolution maps of canopy alpha-diversity and beta-diversity of the Peruvian Amazonian forest, we designed, applied and validated a method based on spectral variation hypothesis to CAO AToMS (Carnegie Airborne Observatory Airborne Taxonomic Mapping System) images, acquired from 2011 to 2013. There is a need to understand on a quantitative basis the physical processes leading to this spectral variability. This spectral variability mainly depends on canopy chemistry, structure, and sensor's characteristics. 3D radiative transfer modeling provides a powerful framework for the study of the relative influence of each of these factors in dense and complex canopies. We simulated series of spectroscopic images with the 3D radiative model DART, with variability gradients in terms of leaf chemistry, individual tree structure, spatial and spectral resolution, and applied methods for biodiversity mapping. This sensitivity study allowed us to determine the relative influence of these factors on the radiometric signal acquired by different types of sensors. Such study is particularly important to define the domain of validity of our approach, to refine requirements for the instrumental specifications, and to help preparing hyperspectral spatial missions to be launched at the horizon 2015-2025 (EnMAP, PRISMA, HISUI, SHALOM, HYSPIRI, HYPXIM). Simulations in preparation include topographic variations in order to estimate the robustness

  8. 2.2.1. Synthesis, spectroscopic characterization and crystal structure of [ReV(O2(pyz4][ReII(NOBr4(pyz] (pyz = pyrazine

    Directory of Open Access Journals (Sweden)

    Mario Pacheco, Alicia Cuevas, Javier González-Platas, Carlos Kremer*

    2015-03-01

    Full Text Available Abstract: A novel Re(V-Re(II nitrosyl complex, [Re(O2(pyz 4][Re(NOBr4(pyz] (pyz = pyrazine was prepared and characterized by X-ray diffraction, elemental analysis, infrared and ultraviolet-visible absorption spectra. This product is obtained in the initial steps of the reaction of (NBu4[Re(NOBr4(EtOH] with pyrazine. Both, the cation and the anion are mononuclear complexes. The Re(V atom in the cation is six-coordinate with four nitrogen atoms from pyrazine ligands, and two oxo ligands. The Re(II anion is also six-coordinate, with four bromide ligands, a linear nitrosyl group and one nitrogen from pyrazine. The spectroscopic studies are discussed and compared with those already reported separately for the cation and the anion. Supporting information: X-Ray (CIF file

  9. Synthesis, characterization and spectroscopic studies of the dihydrobis(1,2,3-benzotriazolylborate anion and its complexes with MCl2·py2

    Directory of Open Access Journals (Sweden)

    KHWAJA S. SIDDIQI

    2006-11-01

    Full Text Available The preparation of sodium dihydrobis(1,2,3-benzotriazolylborate was realised by refluxing one mole of sodium borohydride with two moles of 1,2,3-benzotriazole in toluene over a period of 12 h. Its complexes with MCl2·py2 [whereM=Mn(II, Fe(II, Co(II, Ni(II, Cu(II and py=pyridine] were characterized by elemental analysis as well as magnetic, spectroscopic and conductivity measurements. On the basis of these studies, it is proposed that the geometry of all the complexes is octahedral. The ligand field parameters 10 Dq, B and b show extensive overlap between the M–L orbital. The molar conductance of 10-3 M solutions of the complexes in DMSO suggest them to be non-ionic in nature.

  10. Investigation of the dielectric function of solution-processed InGaZnO films using ellipsometry.

    Science.gov (United States)

    Kim, Tae Jung; Yoon, Jae Jin; Hwang, Soo Min; Choi, Jun Hyuk; Hwang, Soon Yong; Ghong, Tae Ho; Barange, Nilesh; Kim, Jun Young; Kim, Young Dong; Joo, Jinho

    2012-07-01

    The optical properties of InGaZnO (IGZO) films grown through the sol-gel process as a function of sintering time were investigated with spectroscopic ellipsometry (SE). The IGZO precursor sol was prepared by mixing In nitrate, Ga nitrate, and Zn acetate at a molar ratio of In:Ga:Zn = 3:1:1. The solution was deposited on a SiO2/Si substrate via spin coating. Sintering was performed at 400 degrees C for 1-15 h in an ambient atmosphere. The optical properties were measured over the range 1.12-6.52 eV via variable angle SE, at room temperature. The angle of incidence was varied from 50 to 70 degrees in 5 degree steps. To extract the pure optical properties of IGZO, multilayer-structure calculation with Tauc-Lorentz dispersion relation for IGZO was performed. The changes in the dielectric function of the IGZO films with varying sintering time were observed. The resultant optical properties can be related to the concentration of oxygen vacancies in the material, which can be controlled by the sintering time.

  11. Ellipsometry and XPS comparative studies of thermal and plasma enhanced atomic layer deposited Al2O3-films

    Directory of Open Access Journals (Sweden)

    Jörg Haeberle

    2013-11-01

    Full Text Available We report on results on the preparation of thin (2O3 films on silicon substrates using thermal atomic layer deposition (T-ALD and plasma enhanced atomic layer deposition (PE-ALD in the SENTECH SI ALD LL system. The T-ALD Al2O3 layers were deposited at 200 °C, for the PE-ALD films we varied the substrate temperature range between room temperature (rt and 200 °C. We show data from spectroscopic ellipsometry (thickness, refractive index, growth rate over 4” wafers and correlate them to X-ray photoelectron spectroscopy (XPS results. The 200 °C T-ALD and PE-ALD processes yield films with similar refractive indices and with oxygen to aluminum elemental ratios very close to the stoichiometric value of 1.5. However, in both also fragments of the precursor are integrated into the film. The PE-ALD films show an increased growth rate and lower carbon contaminations. Reducing the deposition temperature down to rt leads to a higher content of carbon and CH-species. We also find a decrease of the refractive index and of the oxygen to aluminum elemental ratio as well as an increase of the growth rate whereas the homogeneity of the film growth is not influenced significantly. Initial state energy shifts in all PE-ALD samples are observed which we attribute to a net negative charge within the films.

  12. In situ nanoparticle diagnostics by multi-wavelength Rayleigh-Mie scattering ellipsometry

    CERN Document Server

    Gebauer, G

    2003-01-01

    We present and discuss the method of multiple-wavelength Rayleigh-Mie scattering ellipsometry for the in situ analysis of nanoparticles. It is applied to the problem of nanoparticles suspended in low-pressure plasmas. We discuss experimental results demonstrating that the size distribution and the complex refractive index can be determined with high accuracy and present a study on the in situ analysis of etching of melamine-formaldehyde nanoparticles suspended in an oxygen plasma. It is also shown that particles with a shell structure (core plus mantle) can be analysed by Rayleigh-Mie scattering ellipsometry. Rayleigh-Mie scattering ellipsometry is also applicable to in situ analysis of nanoparticles under high gas pressures and in liquids.

  13. Synthesis, Spectroscopic Characterization, and Biological Activities of Metal Complexes of 4-((4-Chlorophenyldiazenyl-2-((p-tolyliminomethylphenol

    Directory of Open Access Journals (Sweden)

    C. Anitha

    2013-01-01

    Full Text Available Azo Schiff base complexes of VO(II, Mn(II, Co(II, Ni(II, Cu(II, and Zn(II have been synthesized from 4-((4-chlorophenyldiazenyl-2-((p-tolyliminomethylphenol (CDTMP. The nature of bonding and the structural features of the complexes have been deduced from elemental analysis, molar conductance, magnetic susceptibility measurements, IR, UV-Vis, 1H-NMR, EPR, mass, SEM, and fluorescence spectral studies. Spectroscopic and other analytical studies reveal square-planar geometry for copper, square-pyramidal geometry for oxovanadium, and octahedral geometry for other complexes. The EPR spectra of copper(II complex in DMSO at 300 K and 77 K were recorded, and its salient features are reported. Antimicrobial studies against several microorganisms indicate that the complexes are more potent bactericides and fungicides than the ligand. The electrochemical behavior of the copper(II complex was studied by cyclic voltammetry. All the synthesized compounds can serve as potential photoactive materials as indicated from their characteristic fluorescence properties. The second harmonic conversion efficiency of the synthesized azo Schiff base was found to be higher than that of urea and KDP (potassium dihydrogen phosphate. SEM image of copper(II complex implies the crystalline state and surface morphology of the complex.

  14. Spectroscopic characterizations of individual single-crystalline GaN nanowires in visible/ultra-violet regime.

    Science.gov (United States)

    Wu, Chien-Ting; Chu, Ming-Wen; Chen, Li-Chyong; Chen, Kuei-Hsien; Chen, Chun-Wei; Chen, Cheng Hsuan

    2010-10-01

    Spectroscopic investigations of individual single-crystalline GaN nanowires with a lateral dimensions of approximately 30-90nm were performed using the spatially resolved technique of electron energy-loss spectroscopy in conjunction with scanning transmission electron microscope showing a 2-A electron probe. Positioning the electron probe upon transmission impact and at aloof setup with respect to the nanomaterials, we explored two types of surface modes intrinsic to GaN, surface exciton polaritons at approximately 8.3eV (approximately 150nm) and surface guided modes at 3.88eV (approximately 320nm), which are in visible/ultra-violet spectral regime above GaN bandgap of approximately 3.3eV (approximately 375nm) and difficult to access by conventional optical spectroscopies. The explorations of these electromagnetic resonances might expand the current technical interests in GaN nanomaterials from the visible/UV range below approximately 3.5eV to the spectral regime further beyond.

  15. [Vermicomposting of different organic materials and three-dimensional excitation emission matrix fluorescence spectroscopic characterization of their dissolved organic matter].

    Science.gov (United States)

    Yang, Wei; Wang, Dong-sheng; Liu, Man-qiang; Hu, Feng; Li, Hui-xin; Huang, Zhong-yang; Chang, Yi-jun; Jiao, Jia-guo

    2015-10-01

    In this experiment, different proportions of the cattle manure, tea-leaf, herb and mushroom residues, were used as food for earthworm (Eisenia fetida) to study the growth of the earth-worm. Then the characteristics and transformation of nutrient content and three-dimensional excitation emission matrix fluorescence (3DEEM) of dissolved organic matter (DOM) during vermistabilization were investigated by means of chemical and spectroscopic methods. The result showed that the mixture of different ratios of cattle manure with herb residue, and cattle manure with tea-leaf were conducive to the growth of earthworm, while the materials compounded with mushroom residue inhibited the growth of earthworm. With the increasing time of verimcomposting, the pH in vermicompost tended to be circumneutral and weakly acidic, and there were increases in electrical conductivity, and the contents of total nitrogen, total phosphorus, available nitrogen, and available phosphorus, while the total potassium and available potassium increased first and then decreased, and the organic matter content decreased. 3DEEM and fluorescence regional integration results indicated that, the fluorescence of protein-like fluorescence peaks declined significantly, while the intensity of humic-like fluorescence peak increased significantly in DOM. Vermicomposting process might change the compositions of DOM with elevated concentrations of humic acid and fulvic acid in the organics. In all, this study suggested the suitability of 3DEEM for monitoring the organics transformation and assessing the maturity in the vermicomposting.

  16. Spectroscopic characterization of the oxyferrous complex of prostacyclin synthase in solution and in trapped sol–gel matrix

    Science.gov (United States)

    Yeh, Hui-Chun; Hsu, Pei-Yung; Tsai, Ah-Lim; Wang, Lee-Ho

    2010-01-01

    Prostacyclin synthase (PGIS) is a member of the cytochrome P450 family in which the oxyferrous complexes are generally labile in the absence of substrate. At 4 °C, the on-rate constants and off-rate constants of oxygen binding to PGIS in solution are 5.9 × 105 m−1 ·s−1 and 29 s−1, respectively. The oxyferrous complex decays to a ferric form at a rate of 12 s−1. We report, for the first time, a stable oxyferrous complex of PGIS in a transparent sol–gel monolith. The encapsulated ferric PGIS retained the same spectroscopic features as in solution. The binding capabilities of the encapsulated PGIS were demonstrated by spectral changes upon the addition of O-based, N-based and C-based ligands. The peroxidase activity of PGIS in sol–gel was three orders of magnitude slower than that in solution owing to the restricted diffusion of the substrate in sol–gel. The oxyferrous complex in sol–gel was observable for 24 h at room temperature and displayed a much red-shifted Soret peak. Stabilization of the ferrous–carbon monoxide complex in sol–gel was observed as an enrichment of the 450-nm species over the 420-nm species. This result suggests that the sol–gel method may be applied to other P450s to generate a stable intermediate in the di-oxygen activation. PMID:18397321

  17. Spectroscopic and Kinetic Characterization of Peroxidase-Like π-Cation Radical Pinch-Porphyrin-Iron(III Reaction Intermediate Models of Peroxidase Enzymes

    Directory of Open Access Journals (Sweden)

    Samuel Hernández Anzaldo

    2016-06-01

    Full Text Available The spectroscopic and kinetic characterization of two intermediates from the H2O2 oxidation of three dimethyl ester [(proto, (meso, (deuteroporphyrinato (picdien]Fe(III complexes ([FePPPic], [FeMPPic] and [FeDPPic], respectively pinch-porphyrin peroxidase enzyme models, with s = 5/2 and 3/2 Fe(III quantum mixed spin (qms ground states is described herein. The kinetic study by UV/Vis at λmax = 465 nm showed two different types of kinetics during the oxidation process in the guaiacol test for peroxidases (1–3 + guaiacol + H2O2 → oxidation guaiacol products. The first intermediate was observed during the first 24 s of the reaction. When the reaction conditions were changed to higher concentration of pinch-porphyrins and hydrogen peroxide only one type of kinetics was observed. Next, the reaction was performed only between pinch-porphyrins-Fe(III and H2O2, resulting in only two types of kinetics that were developed during the first 0–4 s. After this time a self-oxidation process was observed. Our hypotheses state that the formation of the π-cation radicals, reaction intermediates of the pinch-porphyrin-Fe(III family with the ligand picdien [N,N’-bis-pyridin-2-ylmethyl-propane-1,3-diamine], occurred with unique kinetics that are different from the overall process and was involved in the oxidation pathway. UV-Vis, 1H-NMR and ESR spectra confirmed the formation of such intermediates. The results in this paper highlight the link between different spectroscopic techniques that positively depict the kinetic traits of artificial compounds with enzyme-like activity.

  18. CHARACTERIZATION OF A SAMPLE OF INTERMEDIATE-TYPE AGNs. I. SPECTROSCOPIC PROPERTIES AND SERENDIPITOUS DISCOVERY OF NEW DUAL AGNs

    Energy Technology Data Exchange (ETDEWEB)

    Benitez, Erika; Cruz-Gonzalez, Irene; Martinez, Benoni; Jimenez-Bailon, Elena [Instituto de Astronomia, Universidad Nacional Autonoma de Mexico, Apdo. Postal 70-264, Mexico D.F. 04510 (Mexico); Mendez-Abreu, Jairo; Lopez-Martin, Luis [Instituto de Astrofisica de Canarias, E-38200 La Laguna, Tenerife (Spain); Fuentes-Carrera, Isaura [Escuela Superior de Fisica y Matematicas, Instituto Politecnico Nacional (ESFM-IPN), U.P. Adolfo Lopez Mateos, Mexico D.F. 07730 (Mexico); Leon-Tavares, Jonathan [Aalto University Metsaehovi Radio Observatory, Metsaehovintie 114, FI-02540, Kylmaelae (Finland); Chavushyan, Vahram H., E-mail: erika@astro.unam.mx [Instituto Nacional de Astrofisica, Optica y Electronica, Apdo. Postal 51-216, 72000 Puebla (Mexico)

    2013-01-20

    A sample of 10 nearby intermediate-type active galactic nuclei (AGNs) drawn from the Sloan Digital Sky Survey is presented. The aim of this work is to provide estimations of the black hole (BH) mass for the sample galaxies from the dynamics of the broad-line region. For this purpose, a detailed spectroscopic analysis of the objects was done. Using Baldwin-Phillips-Terlevich diagnostic diagrams, we have carefully classified the objects as true intermediate-type AGNs and found that 80%{sup +7.2%} {sub -17.3%} are composite AGNs. The BH mass estimated for the sample is within 6.54 {+-} 0.16 < log M {sub BH} < 7.81 {+-} 0.14. Profile analysis shows that five objects (J120655.63+501737.1, J121607.08+504930.0, J141238.14+391836.5, J143031.18+524225.8, and J162952.88+242638.3) have narrow double-peaked emission lines in both the red (H{alpha}, [N II] {lambda}{lambda}6548,6583 and [S II] {lambda}{lambda}6716, 6731) and the blue (H{beta} and [O III] {lambda}{lambda}4959, 5007) regions of the spectra, with velocity differences ({Delta}V) between the double peaks within 114 km s{sup -1} < {Delta}V < 256 km s{sup -1}. Two of them, J121607.08+504930.0 and J141238.14+391836.5, are candidates for dual AGNs since their double-peaked emission lines are dominated by AGN activity. In searches of dual AGNs, type 1, type II, and intermediate-type AGNs should be carefully separated, due to the high serendipitous number of narrow double-peaked sources (50% {+-} 14.4%) found in our sample.

  19. Characterization of interactions of simvastatin, pravastatin, fluvastatin, and pitavastatin with bovine serum albumin: multiple spectroscopic and molecular docking.

    Science.gov (United States)

    Shi, Jie-Hua; Wang, Qi; Pan, Dong-Qi; Liu, Ting-Ting; Jiang, Min

    2017-05-01

    The binding interactions of simvastatin (SIM), pravastatin (PRA), fluvastatin (FLU), and pitavastatin (PIT) with bovine serum albumin (BSA) were investigated for determining the affinity of four statins with BSA through multiple spectroscopic and molecular docking methods. The experimental results showed that SIM, PRA, FLU, and PIT statins quenched the intrinsic fluorescence of BSA through a static quenching process and the stable stains-BSA complexes with the binding constants in the order of 10 4  M -1 at 298 K were formed through intermolecular nonbond interaction. The values of ΔH 0 , ΔS 0 and ΔG 0 in the binding process of SIM, PRA, FLU, and PIT with BSA were negative at the studied temperature range, suggesting that the binding process of four statins and BSA was spontaneous and the main interaction forces were van der Waals force and hydrogen-bonding interactions. Moreover, the binding of four statins with BSA was enthalpy-driven process due to |ΔH°|>|TΔS°| under the studied temperature range. From the results of site marker competitive experiments and molecular docking, subdomain IIIA (site II) was the primary binding site for SIM, PRA, FLU, and PIT on BSA. The results of UV-vis absorption, synchronous fluorescence, 3D fluorescence and FT-IR spectra proved that the slight change in the conformation of BSA, while the significant changes in the conformation of SIM, PRA, FLU, and PIT drug in statin-BSA complexes, indicating that the flexibility of statin molecules plays an important role in increasing the stability of statin-BSA complexes.

  20. X-Ray Photoelectron Spectroscopic Characterization of Chemically Modified Electrodes Used as Chemical Sensors and Biosensors: A Review

    Directory of Open Access Journals (Sweden)

    Elio Desimoni

    2015-04-01

    Full Text Available The characterization of chemically modified sensors and biosensors is commonly performed by cyclic voltammetry and electron microscopies, which allow verifying electrode mechanisms and surface morphologies. Among other techniques, X-ray photoelectron spectroscopy (XPS plays a unique role in giving access to qualitative, quantitative/semi-quantitative and speciation information concerning the sensor surface. Nevertheless, XPS remains rather underused in this field. The aim of this paper is to review selected articles which evidence the useful performances of XPS in characterizing the top surface layers of chemically modified sensors and biosensors. A concise introduction to X-ray Photoelectron Spectroscopy gives to the reader the essential background. The application of XPS for characterizing sensors suitable for food and environmental analysis is highlighted.

  1. UV-vis, IR and 1H NMR spectroscopic studies and characterization of ionic-pair crystal violet-oxytetracycline

    Science.gov (United States)

    Orellana, Sandra; Soto, César; Toral, M. Inés

    2010-01-01

    The present study shows the formation and characterization of the ionic-pair between the antibiotic oxytetracycline and the dye crystal violet in ammonia solution pH 9.0 ± 0.2 extracted into chloroform. The characterization was demonstrated using UV-vis spectrophotometry, 1H NMR, measurement of relaxation times T1 and IR spectroscopy, using a comparison between the signals of individual pure compounds with the signals with the mixture CV-OTC in different alkaline media. The formation of ionic-pair was also corroborated by new signals and chemical shifts. (2D) NMR spectroscopy experiments show that the interaction is electrostatic.

  2. Spectroscopic data

    CERN Document Server

    Melzer, J

    1976-01-01

    During the preparation of this compilation, many people contributed; the compilers wish to thank all of them. In particular they appreciate the efforts of V. Gilbertson, the manuscript typist, and those of K. C. Bregand, J. A. Kiley, and W. H. McPherson, who gave editorial assistance. They would like to thank Dr. J. R. Schwartz for his cooperation and encouragement. In addition, they extend their grati­ tude to Dr. L. Wilson of the Air Force Weapons Laboratory, who gave the initial impetus to this project. v Contents I. I ntroduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 . . . . . . . . . . . . . . . . 11. Organization ofthe Spectroscopic Table. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 Methods of Production and Experimental Technique . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 Band Systems . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2...

  3. Spectroscopic and functional characterization of iron-sulfur cluster-bound forms of Azotobacter vinelandii (Nif)IscA.

    Science.gov (United States)

    Mapolelo, Daphne T; Zhang, Bo; Naik, Sunil G; Huynh, Boi Hanh; Johnson, Michael K

    2012-10-16

    The mechanism of [4Fe-4S] cluster assembly on A-type Fe-S cluster assembly proteins, in general, and the specific role of (Nif)IscA in the maturation of nitrogen fixation proteins are currently unknown. To address these questions, in vitro spectroscopic studies (UV-visible absorption/CD, resonance Raman and Mössbauer) have been used to investigate the mechanism of [4Fe-4S] cluster assembly on Azotobacter vinelandii(Nif)IscA, and the ability of (Nif)IscA to accept clusters from NifU and to donate clusters to the apo form of the nitrogenase Fe-protein. The results show that (Nif)IscA can rapidly and reversibly cycle between forms containing one [2Fe-2S](2+) and one [4Fe-4S](2+) cluster per homodimer via DTT-induced two-electron reductive coupling of two [2Fe-2S](2+) clusters and O(2)-induced [4Fe-4S](2+) oxidative cleavage. This unique type of cluster interconversion in response to cellular redox status and oxygen levels is likely to be important for the specific role of A-type proteins in the maturation of [4Fe-4S] cluster-containing proteins under aerobic growth or oxidative stress conditions. Only the [4Fe-4S](2+)-(Nif)IscA was competent for rapid activation of apo-nitrogenase Fe protein under anaerobic conditions. Apo-(Nif)IscA was shown to accept clusters from [4Fe-4S] cluster-bound NifU via rapid intact cluster transfer, indicating a potential role as a cluster carrier for delivery of clusters assembled on NifU. Overall the results support the proposal that A-type proteins can function as carrier proteins for clusters assembled on U-type proteins and suggest that they are likely to supply [2Fe-2S] clusters rather than [4Fe-4S] for the maturation of [4Fe-4S] cluster-containing proteins under aerobic or oxidative stress growth conditions.

  4. Dissolution and Protection of Aluminium Oxide in Corrosive Aqueous Media - An Ellipsometry and Reflectometry Study

    NARCIS (Netherlands)

    Karlsson, P.M.; Postmus, B.R.; Palmqvist, A.E.C.

    2009-01-01

    Dissolution of alumina has been studied from wafers in aqueous solution by means of ellipsometry and reflectometry. It was discovered that the dissolution of aluminium oxide is promoted by ethanol amines like N,N-bis(2-hydroxyethyl)glycine and triethanolamine, and that this dissolution is retarded

  5. Combined UHV/high-pressure catalysis setup for depth-resolved near-surface spectroscopic characterization and catalytic testing of model catalysts

    International Nuclear Information System (INIS)

    Mayr, Lukas; Klötzer, Bernhard; Penner, Simon; Rameshan, Raffael; Rameshan, Christoph

    2014-01-01

    An ultra-high vacuum (UHV) setup for “real” and “inverse” model catalyst preparation, depth-resolved near-surface spectroscopic characterization, and quantification of catalytic activity and selectivity under technologically relevant conditions is described. Due to the all-quartz reactor attached directly to the UHV-chamber, transfer of the catalyst for in situ testing without intermediate contact to the ambient is possible. The design of the UHV-compatible re-circulating batch reactor setup allows the study of reaction kinetics under close to technically relevant catalytic conditions up to 1273 K without contact to metallic surfaces except those of the catalyst itself. With the attached differentially pumped exchangeable evaporators and the quartz-microbalance thickness monitoring equipment, a reproducible, versatile, and standardised sample preparation is possible. For three-dimensional near-surface sample characterization, the system is equipped with a hemispherical analyser for X-ray photoelectron spectroscopy (XPS), electron-beam or X-ray-excited Auger-electron spectroscopy, and low-energy ion scattering measurements. Due the dedicated geometry of the X-ray gun (54.7°, “magic angle”) and the rotatable sample holder, depth analysis by angle-resolved XPS measurements can be performed. Thus, by the combination of characterisation methods with different information depths, a detailed three-dimensional picture of the electronic and geometric structure of the model catalyst can be obtained. To demonstrate the capability of the described system, comparative results for depth-resolved sample characterization and catalytic testing in methanol steam reforming on PdGa and PdZn near-surface intermetallic phases are shown

  6. Combined UHV/high-pressure catalysis setup for depth-resolved near-surface spectroscopic characterization and catalytic testing of model catalysts

    Science.gov (United States)

    Mayr, Lukas; Rameshan, Raffael; Klötzer, Bernhard; Penner, Simon; Rameshan, Christoph

    2014-05-01

    An ultra-high vacuum (UHV) setup for "real" and "inverse" model catalyst preparation, depth-resolved near-surface spectroscopic characterization, and quantification of catalytic activity and selectivity under technologically relevant conditions is described. Due to the all-quartz reactor attached directly to the UHV-chamber, transfer of the catalyst for in situ testing without intermediate contact to the ambient is possible. The design of the UHV-compatible re-circulating batch reactor setup allows the study of reaction kinetics under close to technically relevant catalytic conditions up to 1273 K without contact to metallic surfaces except those of the catalyst itself. With the attached differentially pumped exchangeable evaporators and the quartz-microbalance thickness monitoring equipment, a reproducible, versatile, and standardised sample preparation is possible. For three-dimensional near-surface sample characterization, the system is equipped with a hemispherical analyser for X-ray photoelectron spectroscopy (XPS), electron-beam or X-ray-excited Auger-electron spectroscopy, and low-energy ion scattering measurements. Due the dedicated geometry of the X-ray gun (54.7°, "magic angle") and the rotatable sample holder, depth analysis by angle-resolved XPS measurements can be performed. Thus, by the combination of characterisation methods with different information depths, a detailed three-dimensional picture of the electronic and geometric structure of the model catalyst can be obtained. To demonstrate the capability of the described system, comparative results for depth-resolved sample characterization and catalytic testing in methanol steam reforming on PdGa and PdZn near-surface intermetallic phases are shown.

  7. Raman and IR spectroscopic structural characterization of LiAlO2 powders prepared using a liquid mix technique

    International Nuclear Information System (INIS)

    Cornilsen, B.C.; Loyselle, P.L.; Saporta, J.D.

    1990-01-01

    γ-LiAlO 2 and β-LiAlO 2 have been characterized using Raman and infrared spectroscopy. Powders have been prepared using two different preparation techniques: a solution method known as the liquid mix technique (LMT) and the traditional ceramic method. The authors find that the LMT allows direct production of single phase γ-LiAlO 2 at 600 degrees C, below that found using other preparation methods. Furthermore, this solution technique appears to avoid formation of the β-LiAlO 2 intermediate phase. At lower temperatures, the LMT product is a disordered precursor of γ- LiAlO 2

  8. ZnO nanocrystals on SiO2/Si surfaces thermally cleaned in ultrahigh vacuum and characterized using spectroscopic photoemission and low energy electron microscopy

    International Nuclear Information System (INIS)

    Ericsson, Leif K. E.; Magnusson, Kjell O.; Zakharov, Alexei A.

    2010-01-01

    Thermal cleaning in ultrahigh vacuum of ZnO nanocrystals distributed on SiO 2 /Si surfaces has been studied using spectroscopic photoemission and low energy electron microscopy (SPELEEM). This study thus concern weakly bound ZnO nanocrystals covering only 5%-10% of the substrate. Chemical properties, crystallinity, and distribution of nanocrystals are used to correlate images acquired with the different techniques showing excellent correspondence. The nanocrystals are shown to be clean enough after thermal cleaning at 650 deg. C to be imaged by LEEM and x-ray PEEM as well as chemically analyzed by site selective x-ray photoelectron spectroscopy (μ-XPS). μ-XPS shows a sharp Zn 3d peak and resolve differences in O 1s states in oxides. The strong LEEM reflections together with the obtained chemical information indicates that the ZnO nanocrystals were thermally cleaned, but do not indicate any decomposition of the nanocrystals. μ-XPS was also used to determine the thickness of SiO 2 on Si. This article is the first to our knowledge where the versatile technique SPELEEM has been used to characterize ZnO nanocrystals.

  9. Synthesis, crystal structure, spectroscopic characterization, Hirshfeld surface analysis, and DFT calculations of 1,4-dimethyl-2-oxo-pyrimido[1,2-a]benzimidazole hydrate

    Science.gov (United States)

    El Bakri, Youness; Anouar, El Hassane; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.

    2018-01-01

    Imidazopyrimidine derivatives are organic synthesized compounds with a pyrimido[1,2-a]benzimidazole as basic skeleton. They are known for their various biological properties and as an important class of compounds in medicinal chemistry. A new 1,4-dimethyl-2-oxo-pyrimido[1,2-a]benzimidazole hydrate derivative of the tilted group has been synthesized and characterized by spectroscopic techniques NMR and FT-IR; and by a single crystal X-ray diffraction. The X-ray results showed that the tricyclic core of the title compound, C12H11N3O·H2O, is almost planar. The molecules stack along the a-axis direction in head-to- tail fashion through π-stacking interactions involving all three rings. The stacks are tied together by direct Csbnd H⋯O hydrogen bonds and by Osbnd H⋯O, Osbnd N⋯N and Csbnd H⋯O hydrogen bonds with the lattice water. DFT calculations at B3LYP/6-311++G(d,p) in gas phase an polarizable continuum model have been carried out to predict the spectral and geometrical data of the tilted compound. The obtained results showed relatively good correlations between the predicted and experimental data with correlation coefficients higher than 98%.

  10. Redox properties of structural Fe in clay minerals. 2. Electrochemical and spectroscopic characterization of electron transfer irreversibility in ferruginous smectite, SWa-1.

    Science.gov (United States)

    Gorski, Christopher A; Klüpfel, Laura; Voegelin, Andreas; Sander, Michael; Hofstetter, Thomas B

    2012-09-04

    Structural Fe in clay minerals is an important, albeit poorly characterized, redox-active phase found in many natural and engineered environments. This work develops an experimental approach to directly assess the redox properties of a natural Fe-bearing smectite (ferruginous smectite, SWa-1, 12.6 wt % Fe) with mediated electrochemical reduction (MER) and oxidation (MEO). By utilizing a suite of one-electron-transfer mediating compounds to facilitate electron transfer between structural Fe in SWa-1 and a working electrode, we show that the Fe2+/Fe3+ couple in SWa-1 is redox-active over a large range of potentials (from E(H) = -0.63 V to +0.61 V vs SHE). Electrochemical and spectroscopic analyses of SWa-1 samples that were subject to reduction and re-oxidation cycling revealed both reversible and irreversible structural Fe rearrangements that altered the observed apparent standard reduction potential (E(H)(ø)) of structural Fe. E(H)(ø)-values vary by as much as 0.56 V between SWa-1 samples with different redox histories. The wide range of E(H)-values over which SWa-1 is redox-active and redox history-dependent E(H)(ø)-values underscore the importance of Fe-bearing clay minerals as redox-active phases in a wide range of redox regimes.

  11. From nicotinate-containing layered double hydroxides (LDHs) to NAD coenzyme-LDH nanocomposites - Syntheses and structural characterization by various spectroscopic methods

    Science.gov (United States)

    Muráth, Szabolcs; Dudás, Csilla; Kukovecz, Ákos; Kónya, Zoltán; Sipos, Pál; Pálinkó, István

    2017-07-01

    The syntheses of nicotinate anion- and NAD coenzyme-layered double hydroxide (LDH) composites were performed with the aim of having the organic component among the layers. In-house prepared CaAl-LDHs were the host materials. Intercalation was attempted by direct ion exchange or by the dehydration-rehydration method applying aqueous solvent mixtures (containing ethanol, propanol, acetone, N,N-dimethylformamide). For structural characterization, beside X-ray diffractometry, X-ray photoelectron and IR spectroscopies, transmission and scanning electron microscopies as well as energy-dispersive X-ray analysis were used. Molecular modelling served for the visualization of the arrangements of the intercalated ions among the layers of the LDH samples. Although not all the intercalation methods and solvent mixtures led to intercalated composite materials, successful ones could be identified. The combination of spectroscopic methods helped in proposing sensible spatial arrangements for the intercalated anions. The NAD-CaAl-LDH composite proved to be an active catalyst in the oxidation of hydroquinone to 1,4-bezoquinoe in the presence of H2O2.

  12. Synthesis, spectroscopic characterization and structural investigations of a new charge transfer complex of 2,6-diaminopyridine with 3,5-dinitrobenzoic acid: DNA binding and antimicrobial studies

    Science.gov (United States)

    Khan, Ishaat M.; Ahmad, Afaq; Kumar, Sarvendra

    2013-03-01

    A new charge transfer (CT) complex [(DAPH)+(DNB)-] consisting of 2,6-diaminopyridine (DAP) as donor and 3,5-dinitrobenzoic acid (DNB-H) as acceptor, was synthesized and characterized by FTIR, 1H and 13C NMR, ESI mass spectroscopic and X-ray crystallographic techniques. The hydrogen bonding (N+-H⋯O-) plays an important role to consolidate the cation and anion together. CT complex shows a considerable interaction with Calf thymus DNA. The CT complex was also tested for its antibacterial activity against two Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis and two Gram-negative bacteria Escherichia coli and Pseudomonas aeruginosa strains by using Tetracycline as standard, and antifungal property against Aspergillus niger, Candida albicans, and Penicillium sp. by using Nystatin as standard. The results were compared with standard drugs and significant conclusions were obtained. A polymeric net work through H-bonding interactions between neighboring moieties was observed. This has been attributed to the formation of 1:1 type CT complex.

  13. Spectroscopic and thermal characterization of alternative model biomembranes from shed skins of Bothrops jararaca and Spilotis pullatus

    Directory of Open Access Journals (Sweden)

    André Rolim Baby

    2009-09-01

    Full Text Available Recently, there has been an interest in the use of shed snake skin as alternative model biomembrane for human stratum corneum. This research work presented as objective the qualitative characterization of alternative model biomembranes from Bothrops jararaca and Spilotis pullatus by FT-Raman, PAS-FTIR and DSC. The employed biophysical techniques permitted the characterization of the biomembranes from shed snake skin of B. jararaca and S. pullatus by the identification of vibrational frequencies and endothermic transitions that are similar to those of the human stratum corneum.Existe atualmente interesse no uso da muda de pele de cobra como modelos alternativos de biomembranas da pele humana. O presente trabalho apresentou como objetivo a caracterização qualitativa de modelos alternativos de biomembranas provenientes de mudas de pele de cobra da Bothrops jararaca e Spilotis pullatus por espectroscopia Raman (FT-Raman, espectroscopia fotoacústica no infravermelho (PAS-FTIR e calorimetria exploratória diferencial (DSC. As técnicas biofísicas FT-Raman, PAS-FTIR e DSC permitiram caracterizar qualitativamente os modelos alternativos de biomembranas provenientes das mudas de pele de cobra da B. jararaca e S. pullatus e identificar freqüências vibracionais e transições endotérmicas similares ao estrato córneo humano.

  14. Thermal analysis and vibrational spectroscopic characterization of the boro silicate mineral datolite - CaBSiO4(OH)

    Science.gov (United States)

    Frost, Ray L.; Xi, Yunfei; Scholz, Ricardo; Lima, Rosa Malena Fernandes; Horta, Laura Frota Campos; Lopez, Andres

    2013-11-01

    The objective of this work is to determine the thermal stability and vibrational spectra of datolite CaBSiO4(OH) and relate these properties to the structure of the mineral. The thermal analysis of datolite shows a mass loss of 5.83% over a 700-775 °C temperature range. This mass loss corresponds to 1 water (H2O) molecules pfu. A quantitative chemical analysis using electron probe was undertaken. The Raman spectrum of datolite is characterized by bands at 917 and 1077 cm-1 assigned to the symmetric stretching modes of BO and SiO tetrahedra. A very intense Raman band is observed at 3498 cm-1 assigned to the stretching vibration of the OH units in the structure of datolite. BOH out-of-plane vibrations are characterized by the infrared band at 782 cm-1. The vibrational spectra are based upon the structure of datolite based on sheets of four- and eight-membered rings of alternating SiO4 and BO3(OH) tetrahedra with the sheets bonded together by calcium atoms.

  15. Optical and magneto-optical characterization of TbFeCo thin films in trilayer structures

    International Nuclear Information System (INIS)

    McGahan, W.A.; He, P.; Chen, L.; Bonafede, S.; Woollam, J.A.; Sequeda, F.; McDaniel, T.; Do, H.

    1991-01-01

    A series of TbFeCo films ranging in thickness from 100 to 800 A have been deposited in trilayer structures on silicon wafer substrates, with Si 3 N 4 being employed as the dielectric material. These films have been characterized both optically and magneto-optically by variable angle of incidence spectroscopic ellipsometry, normal angle of incidence reflectometry, and normal angle of incidence Kerr spectroscopy. From these measurements, the optical constants n and k have been determined for the TbFeCo films, as well as the magneto-optical constants Q1 and Q2. Results are presented that demonstrate the lack of dependence of these constants on the thickness of the TbFeCo film, and which can be used for calculating the expected optical and magneto-optical response of any multilayer structure containing similar TbFeCo films

  16. Spectroscopic study

    International Nuclear Information System (INIS)

    Flores, M.; Rodriguez, R.; Arroyo, R.

    1999-01-01

    This work is focused about the spectroscopic properties of a polymer material which consists of Polyacrylic acid (Paa) doped at different concentrations of Europium ions (Eu 3+ ). They show that to stay chemically joined with the polymer by a study of Nuclear Magnetic Resonance (NMR) of 1 H, 13 C and Fourier Transform Infrared Spectroscopy (Ft-IR) they present changes in the intensity of signals, just as too when this material is irradiated at λ = 394 nm. In according with the results obtained experimentally in this type of materials it can say that is possible to unify chemically the polymer with this type of cations, as well as, varying the concentration of them, since that these are distributed homogeneously inside the matrix maintaining its optical properties. These materials can be obtained more quickly and easy in solid or liquid phase and they have the best conditions for to make a quantitative analysis. (Author)

  17. {sup 13}C-METHYL FORMATE: OBSERVATIONS OF A SAMPLE OF HIGH-MASS STAR-FORMING REGIONS INCLUDING ORION-KL AND SPECTROSCOPIC CHARACTERIZATION

    Energy Technology Data Exchange (ETDEWEB)

    Favre, Cécile; Bergin, Edwin A.; Crockett, Nathan R.; Neill, Justin L. [Department of Astronomy, University of Michigan, 500 Church Street, Ann Arbor, MI 48109 (United States); Carvajal, Miguel [Dpto. Física Aplicada, Unidad Asociada CSIC, Facultad de Ciencias Experimentales, Universidad de Huelva, E-21071 Huelva (Spain); Field, David [Department of Physics and Astronomy, University of Aarhus, Ny Munkegade 120, DK-8000 Aarhus C (Denmark); Jørgensen, Jes K.; Bisschop, Suzanne E. [Centre for Star and Planet Formation, Niels Bohr Institute, University of Copenhagen, Juliane Maries Vej 30, DK-2100 Copenhagen Ø (Denmark); Brouillet, Nathalie; Despois, Didier; Baudry, Alain [Univ. Bordeaux, LAB, UMR 5804, F-33270, Floirac (France); Kleiner, Isabelle [Laboratoire Interuniversitaire des Systèmes Atmosphériques (LISA), CNRS, UMR 7583, Université de Paris-Est et Paris Diderot, 61, Av. du Général de Gaulle, F-94010 Créteil Cedex (France); Margulès, Laurent; Huet, Thérèse R.; Demaison, Jean, E-mail: cfavre@umich.edu, E-mail: miguel.carvajal@dfa.uhu.es [Laboratoire de Physique des Lasers, Atomes et Molécules, UMR CNRS 8523, Université Lille I, F-59655 Villeneuve d' Ascq Cedex (France)

    2015-01-01

    We have surveyed a sample of massive star-forming regions located over a range of distances from the Galactic center for methyl formate, HCOOCH{sub 3}, and its isotopologues H{sup 13}COOCH{sub 3} and HCOO{sup 13}CH{sub 3}. The observations were carried out with the APEX telescope in the frequency range 283.4-287.4 GHz. Based on the APEX observations, we report tentative detections of the {sup 13}C-methyl formate isotopologue HCOO{sup 13}CH{sub 3} toward the following four massive star-forming regions: Sgr B2(N-LMH), NGC 6334 IRS 1, W51 e2, and G19.61-0.23. In addition, we have used the 1 mm ALMA science verification observations of Orion-KL and confirm the detection of the {sup 13}C-methyl formate species in Orion-KL and image its spatial distribution. Our analysis shows that the {sup 12}C/{sup 13}C isotope ratio in methyl formate toward the Orion-KL Compact Ridge and Hot Core-SW components (68.4 ± 10.1 and 71.4 ± 7.8, respectively) are, for both the {sup 13}C-methyl formate isotopologues, commensurate with the average {sup 12}C/{sup 13}C ratio of CO derived toward Orion-KL. Likewise, regarding the other sources, our results are consistent with the {sup 12}C/{sup 13}C in CO. We also report the spectroscopic characterization, which includes a complete partition function, of the complex H{sup 13}COOCH{sub 3} and HCOO{sup 13}CH{sub 3} species. New spectroscopic data for both isotopomers H{sup 13}COOCH{sub 3} and HCOO{sup 13}CH{sub 3}, presented in this study, have made it possible to measure this fundamentally important isotope ratio in a large organic molecule for the first time.

  18. Crystallographic and Spectroscopic Characterization of Americium Complexes Containing the Bis[(phosphino)methyl]pyridine-1-oxide (NOPOPO) Ligand Platform

    Energy Technology Data Exchange (ETDEWEB)

    Corbey, Jordan F. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Rapko, Brian M. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Wang, Zheming [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; McNamara, Bruce K. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Surbella, Robert G. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Pellegrini, Kristi L. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Schwantes, Jon M. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States

    2018-02-06

    Abstract The crystal structures of americium species containing a common multi-functional phosphine oxide ligand, reported for its ability to extract f elements from acidic solutions, namely 2,6-[Ph2P(O)CH2]2C5H3-NO, L, have finally been determined after over three decades of separations studies involving these species and their surrogates. The molecular compounds Am(L)(NO3)3, Am 1:1, and [Am(L)2(NO3)][NO3]2, Am 2:1, along with their neodymium and europium analogs were synthesized and characterized using single-crystal X-ray crystallography, attenuated total reflectance Fourier transform infrared (ATR) spectroscopy and luminescence spectroscopy to provide a comprehensive comparison with new and known analogous complexes.

  19. Electrochemical synthesis and spectroscopic characterization of poly(N-phenylpyrrole coatings in an organic medium on iron and platinum electrodes

    Directory of Open Access Journals (Sweden)

    A.K.D. Diaw

    2008-12-01

    Full Text Available The electrochemical synthesis of poly(N-phenylpyrrole film was achieved on pretreated iron and platinum electrodes in acetonitrile solutions containing 0.1 M N-phenylpyrrole as the monomer and 0.1 M tetrabutylammonium trifluoromethane sulfonate (Bu4NCF3SO3 as the supporting-salt. The results showed that a surface treatment by 10 % aqueous nitric acid inhibits iron dissolution without preventing the N-phenylpyrrole oxidation. Very strongly adherent films were obtained at constant-potential, constant-current and cyclic voltammetry. XPS measurements, infrared (FT-IR and electronic absorption (UV-vis spectroscopies were used to characterize the iron and platinum-coated electrodes. Finally the anticorrosion properties of the PΦP film were evidenced.

  20. Synthesis, spectroscopic characterization and antimicrobial activity evaluation of new tridentate Schiff bases and their Co(II complexes

    Directory of Open Access Journals (Sweden)

    Ganesh More

    2017-12-01

    Full Text Available A series of Schiff base tridentate ligands and their respective Co(II complexes have been synthesized and characterized by elemental analysis, magnetic susceptibility, IR, NMR and UV–Visible spectra, thermal studies. The IR spectral data suggested that all the ligands acted as monobasic tridentate towards central Co(II ion with an ONO donor atoms sequentially. Analytical data and magnetic susceptibility revealed 1:2 metal to ligand stoichiometry and octahedral geometry for all Co(II complexes. All the prepared compounds were also screened for antimicrobial activity against 5 ESBL (Extended Spectrum β-lactamase and 5 MBL (Metallo β-lactamase producing uropathogens and for antitubercular activity against Mycobacterium tuberculosis (H37Rv strain. Keywords: Schiff base, Antitubercular, Antimicrobial, ESBL, MBL, Metal complex, o-hydroxyl aldehyde, Aminothiophene

  1. Spectroscopic characterization of cell membranes and their constituents of the plant-associated soil bacterium Azospirillum brasilense

    Science.gov (United States)

    Kamnev, A. A.; Antonyuk, L. P.; Matora, L. Yu.; Serebrennikova, O. B.; Sumaroka, M. V.; Colina, M.; Renou-Gonnord, M.-F.; Ignatov, V. V.

    1999-05-01

    Structural and compositional features of bacterial membranes and some of their isolated constituents (cell surface lipopolysaccharide, phospholipids) of the plant-growth-promoting diazotrophic rhizobacterium Azospirillum brasilense (wild-type strain Sp245) were characterized using Fourier transform infrared (FTIR) spectroscopy and some other techniques. FTIR spectra of the cell membranes were shown to comprise the main vibration modes of the relevant lipopolysaccharide and protein components which are believed to be involved in associative plant-bacterium interactions, as well as of phospholipid constituents. The role and functions of metal cations in the structural organization and physicochemical properties of bacterial cell membranes are also discussed considering their accumulation in the membranes from the culture medium.

  2. Structural and Spectroscopic Characterization of A Nanosized Sulfated TiO2 Filler and of Nanocomposite Nafion Membranes

    Directory of Open Access Journals (Sweden)

    Valentina Allodi

    2016-03-01

    Full Text Available A large number of nano-sized oxides have been studied in the literature as fillers for polymeric membranes, such as Nafion®. Superacidic sulfated oxides have been proposed and characterized. Once incorporated into polymer matrices, their beneficial effect on peculiar membrane properties has been demonstrated. The alteration of physical-chemical properties of composite membranes has roots in the intermolecular interaction between the inorganic filler surface groups and the polymer chains. In the attempt to tackle this fundamental issue, here we discuss, by a multi-technique approach, the properties of a nanosized sulfated titania material as a candidate filler for Nafion membranes. The results of a systematic study carried out by synchrotron X-ray diffraction, transmission electron microscopy, thermogravimetry, Raman and infrared spectroscopies are presented and discussed to get novel insights about the structural features, molecular properties, and morphological characteristics of sulphated TiO2 nanopowders and composite Nafion membranes containing different amount of sulfated TiO2 nanoparticles (2%, 5%, 7% w/w.

  3. Barium coordination polymers based on fluorinated and fluorine-free benzene-dicarboxylates: Mechanochemical synthesis and spectroscopic characterization

    Science.gov (United States)

    Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Emmerling, Franziska; Kemnitz, Erhard

    2018-05-01

    A series of new Ba-based coordination polymers (CPs) were mechanochemically synthesized by milling Ba-hydroxide samples with perfluorinated and fluorine-free benzene-dicarboxylic acids, including tetrafluoroisophthalic acid (H2mBDC-F4), tetrafluorophthalic acid (H2oBDC-F4), isophthalic acid (H2mBDC) and phthalic acid (H2oBDC). The new fluorinated CPs: [Ba(mBDC-F4)·0.5H2O] (1) and [Ba(oBDC-F4)·1.5H2O] (2) are compared to their nonfluorinated counterparts: [Ba(mBDC)·2.5H2O] (3), and [Ba(oBDC)·1H2O] (4). These materials are thoroughly characterized using powder X-ray diffraction. The products obtained by milling are all hydrated but vary in their water contents. Compositions and local structures are investigated by elemental analysis, thermal analysis, MAS NMR and attenuated total reflection-infrared spectroscopy. These materials exhibit high thermal stabilities but small surface areas that remain unchanged even after thermal treatments.

  4. Time-resolved spectroscopic characterization of photo-induced valence tautomerism for a cobalt-dioxolene complex

    Energy Technology Data Exchange (ETDEWEB)

    Gentili, Pier Luigi [LENS, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino, Firenze (Italy)], E-mail: gentili@lens.unifi.it; Bussotti, Laura [LENS, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino, Firenze (Italy); Righini, Roberto [LENS, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino, Firenze (Italy); Dipartimento di Chimica, Universita di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Firenze (Italy)], E-mail: righini@lens.unifi.it; Beni, Alessandra [Dipartimento di Chimica, Universita di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Firenze (Italy); Bogani, Lapo [Dipartimento di Chimica, Universita di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Firenze (Italy); Dei, Andrea [Dipartimento di Chimica, Universita di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Firenze (Italy)

    2005-07-18

    The valence tautomerism of low-spin Co{sup III}(Cat-N-BQ)(Cat-N-SQ) (where Cat-N-BQ is 2-(2-hydroxy-3,5-di-tert-butylphenylimino)-4,6-di-tert-butylcyclohexa-3, 5-dien one and Cat-N-SQ is the dianionic radical analogue) was investigated by means of UV-vis pump-probe transient absorption spectroscopy and {sup 1}H NMR technique in chloroform and dichloromethane. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin Co{sup II}(Cat-N-BQ){sub 2} that, secondly, reaches the chemical equilibrium with the reactant species. The rate constant of back valence tautomerization estimated by measuring the lifetime of high-spin Co{sup II}(Cat-N-BQ){sub 2} species and the equilibrium constant for the Co{sup III}(Cat-N-BQ)(Cat-N-SQ) <-> Co{sup II}(Cat-N-BQ){sub 2} interconversion, is significantly large (on the order of 10{sup 9} s{sup -1}). It is interpreted under the point of view of the theory formulated by Jortner and Buhks et al. for non-adiabatic radiationless processes.

  5. Time-resolved spectroscopic characterization of photo-induced valence tautomerism for a cobalt-dioxolene complex

    International Nuclear Information System (INIS)

    Gentili, Pier Luigi; Bussotti, Laura; Righini, Roberto; Beni, Alessandra; Bogani, Lapo; Dei, Andrea

    2005-01-01

    The valence tautomerism of low-spin Co III (Cat-N-BQ)(Cat-N-SQ) (where Cat-N-BQ is 2-(2-hydroxy-3,5-di-tert-butylphenylimino)-4,6-di-tert-butylcyclohexa-3, 5-dien one and Cat-N-SQ is the dianionic radical analogue) was investigated by means of UV-vis pump-probe transient absorption spectroscopy and 1 H NMR technique in chloroform and dichloromethane. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin Co II (Cat-N-BQ) 2 that, secondly, reaches the chemical equilibrium with the reactant species. The rate constant of back valence tautomerization estimated by measuring the lifetime of high-spin Co II (Cat-N-BQ) 2 species and the equilibrium constant for the Co III (Cat-N-BQ)(Cat-N-SQ) Co II (Cat-N-BQ) 2 interconversion, is significantly large (on the order of 10 9 s -1 ). It is interpreted under the point of view of the theory formulated by Jortner and Buhks et al. for non-adiabatic radiationless processes

  6. Influence of galloyl moiety in interaction of epicatechin with bovine serum albumin: a spectroscopic and thermodynamic characterization.

    Directory of Open Access Journals (Sweden)

    Sandip Pal

    Full Text Available The health benefits stemming from green tea are well known, but the exact mechanism of its biological activity is not elucidated. Epicatechin (EC and epicatechin gallate (ECG are two dietary catechins ubiquitously present in green tea. Serum albumins functionally carry these catechins through the circulatory system and eliminate reactive oxygen species (ROS induced injury. In the present study ECG is observed to have higher antioxidant activity; which is attributed to the presence of galloyl moiety. The binding affinity of these catechins to bovine serum albumin (BSA will govern the efficacy of their biological activity. EC and ECG bind with BSA with binding constants 1.0 × 10(6 M(-1 and 6.6 × 10(7 M(-1, respectively. Changes in secondary structure of BSA on interaction with EC and ECG have been identified by circular dichroism (CD and Fourier transform infrared (FT-IR spectroscopy. Thermodynamic characterization reveals the binding process to be exothermic, spontaneous and entropy driven. Mixed binding forces (hydrophobic, electrostatic and hydrogen bonding exist between ECG and BSA. Binding site for EC is primarily site-II in sub-domain IIIA of BSA and for ECG; it is site-I in sub-domain IIA. ECG with its high antioxidant activity accompanied by high affinity for BSA could be a model in drug designing.

  7. Synthesis, spectroscopic characterization and computational chemical study of 5-cyano-2-thiouracil derivatives as potential antimicrobial agents

    Science.gov (United States)

    Rizk, Sameh A.; El-Naggar, Abeer M.; El-Badawy, Azza A.

    2018-03-01

    A series of 5-cyano-2-thiouracil derivatives, containing diverse hydrophobic groups in the 2-, 4- and 6-positions, were synthesized through one pot reaction of thiophene 2-carboxaldehyde, ethylcyanoacetate and thiourea using classic reflux-based method as well as microwave-assisted methods. Such prepared compounds were reacted with different electrophilic reagents to synthesize potent anti-microbial agents, e.g. 1,3,4-thiadiazinopyrimidine, hydrazide and triazolopyrimidine derivatives (compounds 4a-e, 9 and 10-12) respectively. The density functional theory (DFT) was then applied to explore the structural and electronic characteristics of these materials. It is found that compound 12 exhibited the highest antibacterial and antifungal activity against C. Albicans showing six-fold increasing biological affinity compared to that of Colitrimazole drug with MIC values 7.8 and 49 μg/mL, respectively. All the synthesized compounds have been characterized based on their elemental analyses and spectral data. Such compounds can be submitted to in vivo antimicrobial studies in future works.

  8. Absorption and emission spectroscopic characterization of blue-light receptor Slr1694 from Synechocystis sp. PCC6803.

    Science.gov (United States)

    Zirak, P; Penzkofer, A; Lehmpfuhl, C; Mathes, T; Hegemann, P

    2007-01-03

    The BLUF protein Slr1694 from the cyanobacterium Synechocystis sp. PCC6803 is characterized by absorption and emission spectroscopy. Slr1694 expressed from E. coli which non-covalently binds FAD, FMN, and riboflavin (called Slr1694(I)), and reconstituted Slr1694 which dominantly contains FAD (called Slr1694(II)) are investigated. The receptor conformation of Slr1694 (dark adapted form Slr1694(r)) is transformed to the putative signalling state (light adapted form Slr1694(s)) with red-shifted absorption and decreased fluorescence efficiency by blue-light excitation. In the dark at 22 degrees C, the signalling state recovers back to the initial receptor state with a time constants of about 14.2s for Slr1694(I) and 17s for Slr1694(II). Quantum yields of signalling state formation of approximately 0.63+/-0.07 for both Slr1694(I) and Slr1694(II) were determined by transient transmission measurements and intensity dependent steady-state transmission measurements. Extended blue-light excitation causes some bound flavin conversion to the hydroquinone form and some photo-degradation, both with low quantum efficiency. The flavin-hydroquinone re-oxidizes slowly back (time constant 5-9 min) to the initial flavoquinone form in the dark. A photo-cycle dynamics scheme is presented.

  9. Biochemical, Kinetic, and Spectroscopic Characterization of Ruegeria pomeroyi DddW--A Mononuclear Iron-Dependent DMSP Lyase.

    Directory of Open Access Journals (Sweden)

    Adam E Brummett

    Full Text Available The osmolyte dimethylsulfoniopropionate (DMSP is a key nutrient in marine environments and its catabolism by bacteria through enzymes known as DMSP lyases generates dimethylsulfide (DMS, a gas of importance in climate regulation, the sulfur cycle, and signaling to higher organisms. Despite the environmental significance of DMSP lyases, little is known about how they function at the mechanistic level. In this study we biochemically characterize DddW, a DMSP lyase from the model roseobacter Ruegeria pomeroyi DSS-3. DddW is a 16.9 kDa enzyme that contains a C-terminal cupin domain and liberates acrylate, a proton, and DMS from the DMSP substrate. Our studies show that as-purified DddW is a metalloenzyme, like the DddQ and DddP DMSP lyases, but contains an iron cofactor. The metal cofactor is essential for DddW DMSP lyase activity since addition of the metal chelator EDTA abolishes its enzymatic activity, as do substitution mutations of key metal-binding residues in the cupin motif (His81, His83, Glu87, and His121. Measurements of metal binding affinity and catalytic activity indicate that Fe(II is most likely the preferred catalytic metal ion with a nanomolar binding affinity. Stoichiometry studies suggest DddW requires one Fe(II per monomer. Electronic absorption and electron paramagnetic resonance (EPR studies show an interaction between NO and Fe(II-DddW, with NO binding to the EPR silent Fe(II site giving rise to an EPR active species (g = 4.29, 3.95, 2.00. The change in the rhombicity of the EPR signal is observed in the presence of DMSP, indicating that substrate binds to the iron site without displacing bound NO. This work provides insight into the mechanism of DMSP cleavage catalyzed by DddW.

  10. Raman, photoluminescence and EPR spectroscopic characterization of europium(III) oxide–lead dioxide–tellurite glassy network

    Energy Technology Data Exchange (ETDEWEB)

    Dehelean, A. [National Research and Development Institute for Isotopic and Molecular Technologies, Cluj-Napoca (Romania); Rada, S. [Technical University of Cluj-Napoca (Romania); Popa, A.; Suciu, R.C. [National Research and Development Institute for Isotopic and Molecular Technologies, Cluj-Napoca (Romania); Culea, E., E-mail: eugen.culea@phys.utcluj.ro [Technical University of Cluj-Napoca (Romania)

    2016-09-15

    Raman, photoluminescence and EPR spectroscopies were used to characterize some xEu{sub 2}O{sub 3}·(100−x)[4TeO{sub 2}·PbO{sub 2}] glasses with x=0–50 mol% obtained by melt quenching technique. Raman spectra of these glasses were interpreted in terms of vibration modes of deformed Te–O–Te linkages due to the intercalation of [PbO{sub n}] and [EuO{sub n}] entities produced by addition of Eu{sub 2}O{sub 3} to the host lead–tellurite glass. Photoluminescence spectra of xEu{sub 2}O{sub 3}·(100−x)[4TeO{sub 2}·PbO{sub 2}] glasses reveal the presence of Pb{sup 2+}, Eu{sup 2+} and Eu{sup 3+} ions. EPR data confirm the presence of Eu{sup 2+} ions in the europium–lead–tellurite glassy network and offer information about the compositional evolution of the Eu{sup 2+} ions local environment and Eu{sup 3+}↔Eu{sup 2+} redox process. PL and EPR data show that the decrease of the Eu{sup 2+} ions luminescence intensity for the x≥40 mol% Eu{sub 2}O{sub 3} region is not due to the clusterization of europium ions but is due the decrease of the amount of Eu{sup 2+} ions as result of changes in the Eu{sup 3+}→Eu{sup 2+} redox equilibrium.

  11. Optimization of sunflower oil methanolysis for the production of biodiesel and its characterization with spectroscopic techniques (abstract)

    International Nuclear Information System (INIS)

    Tariq, M.; Ali, S.; Khalid, N.; Naureen, R.; Rafique, U.

    2011-01-01

    Esters from vegetable oils have attracted a great deal of interest as substitute for petrodiesel to reduce dependence on imported petroleum and provide an alternate and sustainable source for fuel with more benign environmental properties. In the present study biodiesel was prepared from sunflower seed oil by transesterification by alkali-catalyzed methanolysis. The fuel properties like kinematic viscosity, density, specific gravity, flash point, pour point, cloud point, acid number and colour comparison of sunflower oil biodiesel (SOB) were determined and discussed in the light of ASTM D6751 standards for biodiesel. The SOB was chemically characterized with analytical techniques like FT-IR, NMR (/sup 1/H and /sup 13/C). The chemical composition of SOB was determined by GC-MS. Various fatty acid methyl esters (FAMEs) were identified by retention time data and verified by mass fragmentation patterns. The identified FAMEs were methyl dodecanoate (C/sub 12:0/), methyl tetradecanoate(C/sub 14:0/), methyl hexadecanoate (C/sub 16:0/), methyl 8,11-octadecadienoate (C/sub 18:2/), methyl 9-octadecenoate (C/sub 18:1/), methyl octadecanoate (C/sub 18:0/), methyl 11-eicosenoate (C/sub 20:1/), methyl eicosanoate (C/sub 20:0/), methyl 13-docosenoate(C/sub 22:1/), methyl docosenoate(C/sub 22:0/) and methyl tetracosanoate (C/sub 24:0/). The percentage conversion of triglycerides to corresponding methyl esters determined by /sup 1/H-NMR was 87.33 % which was quite in good agreement with the practically observed yield of 85.1 %. (author)

  12. Kinetic, Spectroscopic, and X-ray Crystallographic Characterization of the Functional E151H Aminopeptidase from Aeromonas proteolytica.

    Energy Technology Data Exchange (ETDEWEB)

    Bzymek,K.; Moulin, A.; Swierczek, S.; Ringe, D.; Petsko, G.; Holz, R.

    2005-01-01

    Glutamate151 (E151) has been shown to be catalytically essential for the aminopeptidase from Vibrio proteolyticus (AAP). E151 acts as the general acid/base during the catalytic mechanism of peptide hydrolysis. However, a glutamate residue is not the only residue capable of functioning as a general acid/base during catalysis for dinuclear metallohydrolases. Recent crystallographic characterization of the D-aminopeptidase from Bacillus subtilis (DppA) revealed a histidine residue that resides in an identical position to E151 in AAP. Because the active-site ligands for DppA and AAP are identical, AAP has been used as a model enzyme to understand the mechanistic role of H115 in DppA. Substitution of E151 with histidine resulted in an active AAP enzyme exhibiting a k{sub cat} value of 2.0 min{sup -1}, which is over 2000 times slower than r AAP (4380 min{sup -1}). ITC experiments revealed that Zn{sup II} binds 330 and 3 times more weakly to E151H-AAP compared to r-AAP. UV-vis and EPR spectra of Co{sup II}-loaded E151H-AAP indicated that the first metal ion resides in a hexacoordinate/pentacoordinate equilibrium environment, whereas the second metal ion is six-coordinate. pH dependence of the kinetic parameters k{sub cat} and K{sub m} for the hydrolysis of L-leucine p-nitroanilide (L-pNA) revealed a change in an ionization constant in the enzyme-substrate complex from 5.3 in r-AAP to 6.4 in E151H-AAP, consistent with E151 in AAP being the active-site general acid/base. Proton inventory studies at pH 8.50 indicate the transfer of one proton in the rate-limiting step of the reaction. Moreover, the X-ray crystal structure of [ZnZn(E151H-AAP)] has been solved to 1.9 {angstrom} resolution, and alteration of E151 to histidine does not introduce any major conformational changes to the overall protein structure or the dinuclear Zn{sup II} active site. Therefore, a histidine residue can function as the general acid/base in hydrolysis reactions of peptides and, through analogy of

  13. User oriented end-station on VUV pump-probe magneto-optical ellipsometry at ELI beamlines

    Science.gov (United States)

    Espinoza, Shirly; Neuber, Gerd; Brooks, Christopher D.; Besner, Bastian; Hashemi, Maryam; Rübhausen, Michael; Andreasson, Jakob

    2017-11-01

    A state of the art ellipsometer for user operations is being implemented at ELI Beamlines in Prague, Czech Republic. It combines three of the most promising and exotic forms of ellipsometry: VUV, pump-probe and magneto-optical ellipsometry. This new ellipsometer covers a spectral operational range from the NIR up to the VUV, with high through-put between 1 and 40 eV. The ellipsometer also allows measurements of magneto-optical spectra with a 1 kHz switchable magnetic field of up to 1.5 T across the sample combining ellipsometry and Kerr spectroscopy measurements in an unprecedented spectral range. This form of generalized ellipsometry enables users to address diagonal and off-diagonal components of the dielectric tensor within one measurement. Pump-probe measurements enable users to study the dynamic behaviour of the dielectric tensor in order to resolve the time-domain phenomena in the femto to 100 ns range.

  14. Investigation of SiO2 thin films dielectric constant using ellipsometry technique

    Directory of Open Access Journals (Sweden)

    P Sangpour

    2014-11-01

    Full Text Available In this paper, we studied the optical behavior of SiO2 thin films prepared via sol-gel route using spin coating deposition from tetraethylorthosilicate (TEOS as precursor. Thin films were annealed at different temperatures (400-600oC. Absorption edge and band gap of thin layers were measured using UV-Vis spectrophotometery. Optical refractive index and dielectric constant were measured by ellipsometry technique. Based on our atomic force microscopic (AFM and ellipsometry results, thin layers prepared through this method showed high surface area, and high porosity ranging between 4.9 and 16.9, low density 2 g/cm, and low dielectric constant. The dielectric constant and porosity of layers increased by increasing the temperature due to the changes in surface roughness and particle size.

  15. Polarization-sensitive surface plasmon enhanced ellipsometry biosensor using the photoelastic modulation technique

    DEFF Research Database (Denmark)

    Yuan, Scott Wu; Ho, Ho Pui; Wu, S.Y.

    2009-01-01

    A surface plasmon enhanced ellipsometry (SPEE) biosensor scheme based on the use of a photoelastic modulator (PEM) is reported. We show that the polarization parameters of a laser beam, tan , cos and ellipse orientation angle , can be directly measured by detecting the modulation signals at the f......A surface plasmon enhanced ellipsometry (SPEE) biosensor scheme based on the use of a photoelastic modulator (PEM) is reported. We show that the polarization parameters of a laser beam, tan , cos and ellipse orientation angle , can be directly measured by detecting the modulation signals...... at the first and second harmonics of the modulated frequency under a certain birefringence geometry. This leads to accurate measurement of refractive index variations within the evanescent field region close to the gold sensor surface, thereby enabling biosensing applications. Our experimental results confirm...

  16. Applied quantum chemistry: Spectroscopic detection and characterization of the F2BS and Cl2BS free radicals in the gas phase

    International Nuclear Information System (INIS)

    Jin, Bing; Clouthier, Dennis J.; Sheridan, Phillip M.

    2015-01-01

    In this and previous work [D. J. Clouthier, J. Chem. Phys. 141, 244309 (2014)], the spectroscopic signatures of the X 2 BY (X = H, halogen, Y = O, S) free radicals have been predicted using high level ab initio theory. The theoretical results have been used to calculate the electronic absorption and single vibronic level (SVL) emission spectra of the radicals under typical jet-cooled conditions. Using these diagnostic predictions, the previously unknown F 2 BS and Cl 2 BS free radicals have been identified and characterized. The radicals were prepared in a free jet expansion by subjecting precursor mixtures of BF 3 or BCl 3 and CS 2 vapor to an electric discharge at the exit of a pulsed molecular beam valve. The B ~2 A 1 –X ~ 2 B 2 laser-induced fluorescence spectra were found within 150 cm −1 of their theoretically predicted positions with vibronic structure consistent with our Franck-Condon simulations. The B ~2 A 1 state emits down to the ground state and to the low-lying A ~2 B 1 excited state and the correspondence between the observed and theoretically derived SVL emission Franck-Condon profiles was used to positively identify the radicals and make assignments. Excited state Coriolis coupling effects complicate the emission spectra of both radicals. In addition, a forbidden component of the electronically allowed B ~ –X ~ band system of Cl 2 BS is evident, as signaled by the activity in the b 2 modes in the spectrum. Symmetry arguments indicate that this component gains intensity due to a vibronic interaction of the B ~2 A 1 state with a nearby electronic state of 2 B 2 symmetry

  17. The negative thermo-optic effect in KTa0.sub.3./sub. : an ellipsometry study

    Czech Academy of Sciences Publication Activity Database

    Trepakov, Vladimír; Dejneka, Alexandr; Jastrabík, Lubomír; Lynnyková, Anna; Chvostová, Dagmar; Syrnikov, P.; Markovin, P.

    2015-01-01

    Roč. 88, č. 10 (2015), s. 991-1000 ISSN 0141-1594 R&D Projects: GA ČR GAP108/12/1941; GA MŠk(CZ) LM2011029 Grant - others:SAFMAT(XE) CZ.2.16/3.1.00/22132 Institutional support: RVO:68378271 Keywords : KTa0 3 ellipsometry * band- edge optical transitions * thermo-optics Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.858, year: 2015

  18. Optimization and characterization of biomolecule immobilization on silicon substrates using (3-aminopropyl)triethoxysilane (APTES) and glutaraldehyde linker

    International Nuclear Information System (INIS)

    Gunda, Naga Siva Kumar; Singh, Minashree; Norman, Lana; Kaur, Kamaljit; Mitra, Sushanta K.

    2014-01-01

    In the present work, we developed and optimized a technique to produce a thin, stable silane layer on silicon substrate in a controlled environment using (3-aminopropyl)triethoxysilane (APTES). The effect of APTES concentration and silanization time on the formation of silane layer is studied using spectroscopic ellipsometry and Fourier transform infrared spectroscopy (FTIR). Biomolecules of interest are immobilized on optimized silane layer formed silicon substrates using glutaraldehyde linker. Surface analytical techniques such as ellipsometry, FTIR, contact angle measurement system, and atomic force microscopy are employed to characterize the bio-chemically modified silicon surfaces at each step of the biomolecule immobilization process. It is observed that a uniform, homogenous and highly dense layer of biomolecules are immobilized with optimized silane layer on the silicon substrate. The developed immobilization method is successfully implemented on different silicon substrates (flat and pillar). Also, different types of biomolecules such as anti-human IgG (rabbit monoclonal to human IgG), Listeria monocytogenes, myoglobin and dengue capture antibodies were successfully immobilized. Further, standard sandwich immunoassay (antibody–antigen–antibody) is employed on respective capture antibody coated silicon substrates. Fluorescence microscopy is used to detect the respective FITC tagged detection antibodies bound to the surface after immunoassay.

  19. Optimization and characterization of biomolecule immobilization on silicon substrates using (3-aminopropyl)triethoxysilane (APTES) and glutaraldehyde linker

    Energy Technology Data Exchange (ETDEWEB)

    Gunda, Naga Siva Kumar [Department of Mechanical Engineering, University of Alberta, Edmonton, Canada T6G 2G8 (Canada); Singh, Minashree [Department of Pharmacy and Pharmaceutical Sciences, University of Alberta, Edmonton, Canada T6G 1C9 (Canada); Norman, Lana [Department of Chemical and Materials Engineering, University of Alberta, Edmonton, AB, Canada T6G 2V4 (Canada); Kaur, Kamaljit [Department of Pharmacy and Pharmaceutical Sciences, University of Alberta, Edmonton, Canada T6G 1C9 (Canada); Mitra, Sushanta K., E-mail: sushanta.mitra@ualberta.ca [Department of Mechanical Engineering, University of Alberta, Edmonton, Canada T6G 2G8 (Canada)

    2014-06-01

    In the present work, we developed and optimized a technique to produce a thin, stable silane layer on silicon substrate in a controlled environment using (3-aminopropyl)triethoxysilane (APTES). The effect of APTES concentration and silanization time on the formation of silane layer is studied using spectroscopic ellipsometry and Fourier transform infrared spectroscopy (FTIR). Biomolecules of interest are immobilized on optimized silane layer formed silicon substrates using glutaraldehyde linker. Surface analytical techniques such as ellipsometry, FTIR, contact angle measurement system, and atomic force microscopy are employed to characterize the bio-chemically modified silicon surfaces at each step of the biomolecule immobilization process. It is observed that a uniform, homogenous and highly dense layer of biomolecules are immobilized with optimized silane layer on the silicon substrate. The developed immobilization method is successfully implemented on different silicon substrates (flat and pillar). Also, different types of biomolecules such as anti-human IgG (rabbit monoclonal to human IgG), Listeria monocytogenes, myoglobin and dengue capture antibodies were successfully immobilized. Further, standard sandwich immunoassay (antibody–antigen–antibody) is employed on respective capture antibody coated silicon substrates. Fluorescence microscopy is used to detect the respective FITC tagged detection antibodies bound to the surface after immunoassay.

  20. Measurement of the surface susceptibility and the surface conductivity of atomically thin MoS2 by spectroscopic ellipsometry

    KAUST Repository

    Jayaswal, Gaurav; Dai, Zhenyu; Zhang, Xixiang; Bagnarol, Mirko; Martucci, Alessandro; Merano, Michele

    2018-01-01

    We show how to correctly extract from the ellipsometric data the surface susceptibility and the surface conductivity that describe the optical properties of monolayer MoS. Theoretically, these parameters stem from modelling a single-layer two-dimensional crystal as a surface current, a truly two-dimensional model. Current experimental practice is to consider this model equivalent to a homogeneous slab with an effective thickness given by the interlayer spacing of the exfoliating bulk material. We prove that the error in the evaluation of the surface susceptibility of monolayer MoS, owing to the use of the slab model, is at least 10% or greater, a significant discrepancy in the determination of the optical properties of this material.

  1. Measurement of the surface susceptibility and the surface conductivity of atomically thin MoS2 by spectroscopic ellipsometry

    KAUST Repository

    Jayaswal, Gaurav

    2018-02-06

    We show how to correctly extract from the ellipsometric data the surface susceptibility and the surface conductivity that describe the optical properties of monolayer MoS. Theoretically, these parameters stem from modelling a single-layer two-dimensional crystal as a surface current, a truly two-dimensional model. Current experimental practice is to consider this model equivalent to a homogeneous slab with an effective thickness given by the interlayer spacing of the exfoliating bulk material. We prove that the error in the evaluation of the surface susceptibility of monolayer MoS, owing to the use of the slab model, is at least 10% or greater, a significant discrepancy in the determination of the optical properties of this material.

  2. Studies on Inx(As2Se31-x thin films using variable angle spectroscopic ellipsometry (VASE

    Directory of Open Access Journals (Sweden)

    Amin G. A. M.

    2015-09-01

    Full Text Available The results of multi-angle ellipsometrical measurements of thermally evaporated Inx(As2Se31-x (x = 0, 0.01,0.05 films are presented. Optical parameters n and Es of thin Inx(As2Se31-x films show that indium atoms were incorporated into the host matrix of As2Se3 forming distinct features depending on the indium concentration. Refractive index, n, was found to decrease with the addition of In to the binary As2Se3. The real and imaginary parts of the dielectric function, ε' and ε" were also calculated from the obtained data and correlated with In concentration. It was found that e' decreases with the increase of In content while ε" increases with the increase of In content. Absorption edge is shifted towards lower photon energy with the increase of In content. As a result, the optical energy gap decreases with increasing In content. This has been correlated with the chemical character of the additive as well as with the structural and bonding aspects of the amorphous composition. Nonlinear optical constants (χ(3 and n2 were determined from linear optical parameters using semi-empirical relations in the long wavelength limit.

  3. Interplay of electron correlations and localization in disordered β-tantalum films: evidence from dc transport and spectroscopic ellipsometry study

    Czech Academy of Sciences Publication Activity Database

    Kovaleva, Natalia; Chvostová, Dagmar; Bagdinov, A.V.; Petrova, M.G.; Demikhov, E.I.; Pudonin, F.A.; Dejneka, Alexandr

    2015-01-01

    Roč. 106, č. 5 (2015), "051907-1"-"051907-5" ISSN 0003-6951 R&D Projects: GA ČR GA15-13778S Institutional support: RVO:68378271 Keywords : diffusion * absence Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.142, year: 2015

  4. n-Hexane induced swelling of thin PDMS films under non-equilibrium nanofiltration permeation conditions, resolved by spectroscopic ellipsometry

    NARCIS (Netherlands)

    Ogieglo, Wojciech; van der Werf, J.C.A.; Tempelman, Kristianne; Wormeester, Herbert; Wessling, Matthias; Nijmeijer, Arian; Benes, Nieck Edwin

    2013-01-01

    A nondestructivetechniqueispresentedforin-situanalysisofsolventinducedmembraneswelling.The techniqueisbasedonspectroscopicellipsometry(SE)andallowssimultaneousmeasurementof membranefilmthicknessandsolventsorption.Theattainableexperimentalconditionsareonlylimited by thetestcell(r473.15 K, r20

  5. Spectroscopic characterization of manganese minerals.

    Science.gov (United States)

    Lakshmi Reddy, S; Padma Suvarna, K; Udayabhaska Reddy, G; Endo, Tamio; Frost, R L

    2014-01-03

    Manganese minerals ardenite, alleghanyite and leucopoenicite originated from Madhya Pradesh, India, Nagano prefecture Japan, Sussex Country and Parker Shaft Franklin, Sussex Country, New Jersey respectively are used in the present work. In these minerals manganese is the major constituent and iron if present is in traces only. An EPR study of on all of the above samples confirms the presence of Mn(II) with g around 2.0. Optical absorption spectrum of the mineral alleghanyite indicates that Mn(II) is present in two different octahedral sites and in leucophoenicite Mn(II) is also in octahedral geometry. Ardenite mineral gives only a few Mn(II) bands. NIR results of the minerals ardenite, leucophoenicite and alleghanyite are due to hydroxyl and silicate anions which confirming the formulae of the minerals. Copyright © 2013 Elsevier B.V. All rights reserved.

  6. Spectroscopic characterization of heterogeneous catalysts

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Voort, P. van der; Catana, Gabriela

    2000-01-01

    Transition metal ions - elements with a partially filled d shell - on surfaces of inorganic oxides possess a wide variability in oxidation state, coordination number and molecular structure. This variability forms the basis for their diverse chemical behavior, which is especially important in the

  7. Large Mn25 single-molecule magnet with spin S = 51/2: magnetic and high-frequency electron paramagnetic resonance spectroscopic characterization of a giant spin state.

    Science.gov (United States)

    Murugesu, Muralee; Takahashi, Susumu; Wilson, Anthony; Abboud, Khalil A; Wernsdorfer, Wolfgang; Hill, Stephen; Christou, George

    2008-10-20

    The synthesis and structural, spectroscopic, and magnetic characterization of a Mn25 coordination cluster with a large ground-state spin of S = 51/2 are reported. Reaction of MnCl2 with pyridine-2,6-dimethanol (pdmH2) and NaN3 in MeCN/MeOH gives the mixed valence cluster [Mn25O18(OH)2(N3)12(pdm)6(pdmH)6]Cl2 (1; 6Mn(II), 18Mn(III), Mn(IV)), which has a barrel-like cage structure. Variable temperature direct current (dc) magnetic susceptibility data were collected in the 1.8-300 K temperature range in a 0.1 T field. Variable-temperature and -field magnetization (M) data were collected in the 1.8-4.0 K and 0.1-7 T ranges and fit by matrix diagonalization assuming only the ground state is occupied at these temperatures. The fit parameters were S = 51/2, D = -0.020(2) cm(-1), and g = 1.87(3), where D is the axial zero-field splitting parameter. Alternating current (ac) susceptibility measurements in the 1.8-8.0 K range and a 3.5 G ac field oscillating at frequencies in the 50-1500 Hz range revealed a frequency-dependent out-of-phase (chi(M)'') signal below 3 K, suggesting 1 to be a single-molecule magnet (SMM). This was confirmed by magnetization vs dc field sweeps, which exhibited hysteresis loops but with no clear steps characteristic of resonant quantum tunneling of magnetization (QTM). However, magnetization decay data below 1 K were collected and used to construct an Arrhenius plot, and the fit of the thermally activated region above approximately 0.5 K gave U(eff)/k = 12 K, where U(eff) is the effective relaxation barrier. The g value and the magnitude and sign of the D value were independently confirmed by detailed high-frequency electron paramagnetic resonance (HFEPR) spectroscopy on polycrystalline samples. The combined studies confirm both the high ground-state spin S = 51/2 of complex 1 and that it is a SMM that, in addition, exhibits QTM.

  8. Spectroscopic and thermal characterization of bovine enamel and dentine using the photoacoustic effect; Caracterizacao espectroscopica e termica de esmalte e dentina bovinos utilizando o efeito fotoacustico

    Energy Technology Data Exchange (ETDEWEB)

    Stolf, Sandro Fernando

    2003-07-01

    The optical and thermal properties of dental tissues determine the nature and extent of the tissue response through the processes of absorption, transmission, reflection and scattering of the laser light and the heat produced by the absorption of that light. The spectroscopic characterization of bovine dentine and enamel, and the determination of the thermal diffusivity were the aim of this study. The photoacoustic spectra from these tissues were obtained in the Near-Infrared range 900 - 2500 nm, which is the clinical range for odontological application of most lasers. Photoacoustic spectra were taken from block, slices and powder of enamel and dentine. Also photoacoustic spectra were registered before and after 2, 5 and 10 h of topical fluoride (2.26%) application. Using the same technique spectra were taken from dentine and enamel after irradiation with Nd:YAG, Er:YAG, Ho:YLF and CO{sub 2}. It is evident from the results that the presence of O-H in the composition of hydroxyapatite and the water present in the teeth tissue make the obtention of spectrum from components other than O-H bond a very difficult task. In this way, only bands assigned to overtones and combinations of O-H stretch were observed. The thermal diffusivity of the bovine dentine was also measured using the photoacoustic technique. The thermal diffusivity is the physical quantity which measures the rate of heat diffusion throughout the sample. For higher values of the thermal diffusivity the heat diffusion and temperature rise will be faster. As there is many studies devoted to the processes of heat transfer throughout dental tissues using bovine teeth, it is important the determination of its thermal diffusivity. The measured value was found to be a = 2.0 ({+-}0.1).1O{sup -3} cm{sup 2}/s for the both direction, perpendicular and parallel to the dentinal tubules. These {sup a}lues indicate that there is no difference between the thermal diffusivities for the both directions. (author)

  9. Synthesis of a ruthenium(II) bipyridyl complex coordinated by a functionalized Schiff base ligand: characterization, spectroscopic and isothermal titration calorimetry measurements of M2+ binding and sensing (M2+=Ca2+, Mg2+).

    Science.gov (United States)

    Dixit, Namrata; Mishra, Lallan; Mustafi, Sourajit M; Chary, Kandala V R; Houjou, Hirohiko

    2009-07-01

    Bis-[methylsalicylidine-4'benzoic acid]-ethylene (LH2) complexed with cis-Ru(bpy)2Cl(2).2H2O provides a complex of composition [Ru(bpy)2L].2NH4PF6 (1), which has been characterized spectroscopically. Its binding behaviour towards Mg2+ and Ca2+ ions is monitored using 1H NMR titration, isothermal titration calorimetry (ITC) and luminescence microscopy. The luminescent ruthenium complex binds Ca2+ in a more selective manner as compared to Mg2+.

  10. Ellipsometry measurements of thickness of oxide and water layers on spherical and flat silicon surfaces

    International Nuclear Information System (INIS)

    Kenny, M.J.; Netterfield, R.; Wielunski, L.S.

    1998-01-01

    Full text: Ellipsometry has been used to measure the thickness of oxide layers on single crystal silicon surfaces, both flat and spherical and also to measure the extent of adsorption of moisture on the surface as a function of partial water vapour pressure. The measurements form part of an international collaborative project to make a precise determination of the Avogadro constant (ΔN A /N A -8 ) which will then be used to obtain an absolute definition of the kilogram, rather than one in terms of an artefact. Typically the native oxide layer on a cleaned silicon wafer is about 2 nm thick. On a polished sphere this oxide layer is typically 8 to 10 nm thick, the increased thickness being attributed to parameters related to the polishing process. Ellipsometry measurements on an 89 mm diameter polished silicon sphere at both VUW and CSIRO indicated a SiO 2 layer at 7 to 10 nm thick. It was observed that this thickness varied regularly. The crystal orientation of the sphere was determined using electron patterns generated from an electron microscope and the oxide layer was then measured through 180 arcs of great circles along (110) and (100) planes. It was observed that the thickness varied systematically with orientation. The minimum thickness was 7.4 nm at the axis (softest direction in silicon) and the greatest thickness was 9.5 nm at the axis (hardest direction in silicon). This is similar to an orientation dependent cubic pattern which has been observed to be superimposed on polished silicon spheres. At VUW, the sphere was placed in an evacuated bell jar and the ellipsometry signal was observed as the water vapour pressure was progressively increased up to saturation. The amount of water vapour adsorbed at saturation was one or two monolayers, indicating that the sphere does not wet

  11. Spectroscopic vector analysis for fast pattern quality monitoring

    Science.gov (United States)

    Sohn, Younghoon; Ryu, Sungyoon; Lee, Chihoon; Yang, Yusin

    2018-03-01

    In semiconductor industry, fast and effective measurement of pattern variation has been key challenge for assuring massproduct quality. Pattern measurement techniques such as conventional CD-SEMs or Optical CDs have been extensively used, but these techniques are increasingly limited in terms of measurement throughput and time spent in modeling. In this paper we propose time effective pattern monitoring method through the direct spectrum-based approach. In this technique, a wavelength band sensitive to a specific pattern change is selected from spectroscopic ellipsometry signal scattered by pattern to be measured, and the amplitude and phase variation in the wavelength band are analyzed as a measurement index of the pattern change. This pattern change measurement technique is applied to several process steps and verified its applicability. Due to its fast and simple analysis, the methods can be adapted to the massive process variation monitoring maximizing measurement throughput.

  12. Theory of the ellipsometry of a layer of semiconductor nanoparticles covering the substrate

    International Nuclear Information System (INIS)

    Borshchagyivs'kij, Je.G.; Lozovs'kij, V.Z.; Lozovs'kij, V.Z.; Myishakova, T.O.

    2010-01-01

    A theoretical model of ellipsometry of a submonolayer of semiconductor nanoparticles on a surface is built in the frame of the local field method. We calculated the effective susceptibility of the system which had been modeled as a substrate with ellipsoidal particles. These calculations allow us to determine the reflection coefficients and the ellipsometric parameters versus the wavelength and the angle of incidence. It is shown that semiconductor particles on a substrate give a measurable contribution to ellipsometric parameters. We obtain that ellipsometric parameters depend on the concentration and the shape of particles.

  13. Study of CdTe surface by SIMS and RBS ellipsometry

    International Nuclear Information System (INIS)

    Stuck, R.; Hage-Ali, M.; Grob, A.; Siffert, P.

    1978-01-01

    For a better understanding of the mechanisms involved in the rectification of metal-cadmium telluride contacts, the surface of bromine-methanol etched CdTe crystals by means of ellipsometry, secondary ions mass spectroscopy (SIMS) and Rutherford backscattering of charged particles (RBS) has been investigated. The results show that these surfaces are contaminated with bromine and that a tellurium surface oxide layer grows, its thickness increasing with time. This surface layer composition has been analyzed at different steps of its evolution [fr

  14. Mid-infrared spectroscopic investigation

    International Nuclear Information System (INIS)

    Walter, L.; Vergo, N.; Salisbury, J.W.

    1987-01-01

    Mid-infrared spectroscopic research efforts are discussed. The development of a new instrumentation to permit advanced measurements in the mid-infrared region of the spectrum, the development of a special library of well-characterized mineral and rock specimens for interpretation of remote sensing data, and cooperative measurements of the spectral signatures of analogues of materials that may be present on the surfaces of asteroids, planets or their Moons are discussed

  15. Infrared optical constants of liquid palm oil and palm oil biodiesel determined by the combined ellipsometry-transmission method.

    Science.gov (United States)

    Wang, C C; Tan, J Y; Ma, Y Q; Liu, L H

    2017-06-20

    The optical constants of vegetable oils and biodiesels are the basic input parameters in the study of the thermal radiation transfer and monitoring the productivity of vegetable oils converting to biodiesels. In this work, a combined ellipsometry-transmission method is presented to obtain the optical constants of palm oil and palm oil biodiesel between 20°C and 150°C in the spectral range 600-4100  cm -1 and to study the temperature effect on the optical constants. In the combined method, a modified ellipsometry method is used to measure the optical constants of palm oil and palm oil biodiesel for the whole researched wave bands. For the weak absorption regions in which the ellipsometry method cannot give precise absorption indices, the transmission method is conducted to get the absorption indices using the refractive indices obtained by the proposed ellipsometry method. Deionized water and methanol are taken as examples to verify the combined ellipsometry-transmission method. It is shown that the combined method can overcome the deficiencies of the traditional ellipsometry and transmission method, which can be used for the measurements of both strong and weak absorption wave bands. The experimental analyses indicate that temperature exerts a noticeable influence on the infrared optical constants of palm oil and palm oil biodiesel. With the increase of temperature, the refractive indices at certain wavenumbers decrease nearly linearly, and the amplitudes of dominant absorption peaks show a decreasing trend. The absorption peaks located around 3550  cm -1 show blueshift trends as temperature increases. Comparing these two kinds of oils, palm oil presents larger values in refractive indices and dominant absorption peaks.

  16. Immersion transmission ellipsometry (ITE) for the determination of orientation gradients in photoalignment layers

    Science.gov (United States)

    Jung, C. C.; Stumpe, J.

    2014-09-01

    The capability of the method of immersion transmission ellipsometry (ITE) (Jung et al. Int Patent WO, 2004/109260) to not only determine three-dimensional refractive indices in anisotropic thin films (which was already possible in the past), but even their gradients along the z-direction (perpendicular to the film plane) is investigated in this paper. It is shown that the determination of orientation gradients in deep-sub-μm films becomes possible by applying ITE in combination with reflection ellipsometry. The technique is supplemented by atomic force microscopy for measuring the film thickness. For a photo-oriented thin film, no gradient was found, as expected. For a photo-oriented film, which was subsequently annealed in a nematic liquid crystalline phase, an order was found similar to the one applied in vertically aligned nematic displays, with a tilt angle varying along the z-direction. For fresh films, gradients were only detected for the refractive index perpendicular to the film plane, as expected.

  17. Smooth and rough Proteus mirabilis lipopolysaccharides studied by total internal reflection ellipsometry

    International Nuclear Information System (INIS)

    Gleńska-Olender, J.; Dworecki, K.; Sęk, S.; Kwinkowski, M.; Kaca, W.

    2013-01-01

    Total internal reflection ellipsometry (TIRE), a label-free optical detection technique for studying interactions between biomolecules, was used to examine the adsorption of various forms of lipopolysaccharides (LPSs) isolated from Proteus mirabilis S1959, R110, and R45 strains on a gold surface. The thickness of the adsorbed layers was determined by TIRE, with the average values for S1959, R110, and R45 LPS layers being 78 ± 5, 39 ± 3, and 12 ± 2 nm, respectively. The thickness of LPS layers corresponds to the presence and length of O-specific parts in P. mirabilis LPS molecules. Atomic force microscopy was used as a complementary technique for visualizing lipopolysaccharides on the surface. Force measurements seem to confirm the data obtained from TIRE experiments. - Highlights: • Proteus mirabilis lipopolysaccharides were adsorbed on the gold surface. • Thickness of adsorbed layers was determined by total internal reflection ellipsometry. • Atomic force microscopy was used to visualize lipopolysaccharide build-up on gold surface. • Time is important in the evolution of biomolecular film thickness created on gold surface

  18. Smooth and rough Proteus mirabilis lipopolysaccharides studied by total internal reflection ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Gleńska-Olender, J., E-mail: joannaglenska@wp.pl [Institute of Biology, Jan Kochanowski University, 25-406 Kielce (Poland); Świętokrzyski Biobank, Regional Science and Technology Center, 26-060 Chęciny (Poland); Dworecki, K. [Institute of Physics, Jan Kochanowski University, 25-406 Kielce (Poland); Sęk, S. [Department of Chemistry, University of Warsaw, 02-093 Warsaw (Poland); Kwinkowski, M.; Kaca, W. [Institute of Biology, Jan Kochanowski University, 25-406 Kielce (Poland)

    2013-12-02

    Total internal reflection ellipsometry (TIRE), a label-free optical detection technique for studying interactions between biomolecules, was used to examine the adsorption of various forms of lipopolysaccharides (LPSs) isolated from Proteus mirabilis S1959, R110, and R45 strains on a gold surface. The thickness of the adsorbed layers was determined by TIRE, with the average values for S1959, R110, and R45 LPS layers being 78 ± 5, 39 ± 3, and 12 ± 2 nm, respectively. The thickness of LPS layers corresponds to the presence and length of O-specific parts in P. mirabilis LPS molecules. Atomic force microscopy was used as a complementary technique for visualizing lipopolysaccharides on the surface. Force measurements seem to confirm the data obtained from TIRE experiments. - Highlights: • Proteus mirabilis lipopolysaccharides were adsorbed on the gold surface. • Thickness of adsorbed layers was determined by total internal reflection ellipsometry. • Atomic force microscopy was used to visualize lipopolysaccharide build-up on gold surface. • Time is important in the evolution of biomolecular film thickness created on gold surface.

  19. Characterization of Phase Transitions in PZT Ferroelectric films with spectral Ellipsometry

    Czech Academy of Sciences Publication Activity Database

    Deineka, Alexander; Suchaneck, G.; Jastrabík, Lubomír; Gerlach, G.

    11-12, - (2002), s. 377-380 ISSN 0447-6441 R&D Projects: GA MŠk LN00A015; GA ČR GA202/00/1425 Institutional research plan: CEZ:AV0Z1010921 Keywords : ferroelectric film * phase transition * film profile Subject RIV: BH - Optics, Masers, Lasers

  20. Spectroscopic ellipsometric modeling of a Bi–Te–Se write layer of an optical data storage device as guided by atomic force microscopy, scanning electron microscopy, and X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Hao; Madaan, Nitesh; Bagley, Jacob; Diwan, Anubhav [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Liu, Yiqun [Department of Chemistry, Lehigh University, Bethlehem, PA 18015 (United States); Davis, Robert C. [Department of Physics and Astronomy, Brigham Young University, Provo, UT 84602 (United States); Lunt, Barry M. [Department of Information Technology, Brigham Young University, Provo, UT 84602 (United States); Smith, Stacey J., E-mail: ssmith@chem.byu.edu [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Linford, Matthew R., E-mail: mrlinford@chem.byu.edu [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States)

    2014-10-31

    Conventional magnetic tape is the most widely used medium for archival data storage. However, data stored on it need to be migrated every ca. 5 years. Recently, optical discs that store information for hundreds, or even more than 1000 years, have been introduced to the market. We recently proposed that technology in these optical discs be used to make an optical tape that would show greater permanence than its magnetic counterpart. Here we provide a detailed optical characterization of a sputtered thin film of bismuth, tellurium, and selenium (BTS) that is a proposed data storage layer for these devices. The methodology described herein should be useful in the future development of related materials. Spectroscopic ellipsometry (SE) data are obtained using interference enhancement, and the modeling of this data is guided by results from atomic force microscopy (AFM), scanning electron microscopy (SEM), X-ray diffraction (XRD), and X-ray reflectivity (XRR). By AFM, ca. 40 nm BTS films show ca. 10 nm roughness. SEM images also suggest considerable roughness in the films and indicate that they are composed of 13.1 ± 5.9 nm grains. XRD confirms that the films are crystalline and predicts a grain size of 17 ± 2 nm. XRD results are consistent with the composition of the films — a mildly oxidized BTS material. Three models of increasing complexity are investigated to explain the SE data. The first model consists of a smooth, homogeneous BTS film. The second model adds a roughness layer to the previous model. The third model also has two layers. The bottom layer is modeled as a mixture of BTS and void using a Bruggeman effective medium approximation. The upper layer is similarly modeled, but with a gradient. The first model was unable to adequately model the SE data. The second model was an improvement — lower MSE (4.4) and good agreement with step height measurements. The third model was even better — very low MSE (2.6) and good agreement with AFM results. The

  1. Spectroscopic classification of transients

    DEFF Research Database (Denmark)

    Stritzinger, M. D.; Fraser, M.; Hummelmose, N. N.

    2017-01-01

    We report the spectroscopic classification of several transients based on observations taken with the Nordic Optical Telescope (NOT) equipped with ALFOSC, over the nights 23-25 August 2017.......We report the spectroscopic classification of several transients based on observations taken with the Nordic Optical Telescope (NOT) equipped with ALFOSC, over the nights 23-25 August 2017....

  2. Deficiency of Standard Effective-Medium Approximation for Ellipsometry of Layers of Nanoparticles

    Directory of Open Access Journals (Sweden)

    E. G. Bortchagovsky

    2015-01-01

    Full Text Available Correct description of optical properties of layers of disordered interacting nanoparticles is the problem. Contrary to volumes of nanocomposites, when standard models of effective-medium approximations (EMA work well, two-dimensional case of layers has intrinsic anisotropy, which influences interparticle interactions. The deficiency of standard Maxwell-Garnett model in the application to the ellipsometry of layers of gold nanoparticles is demonstrated. It demands the modification of EMA models and one way of this is considered in this paper. Contrary to existing 2D models with phenomenological parameters, the proposed Green function approach uses the same number of parameters as standard 3D EMA models for explicit calculations of effective parameters of layers of disordered nanoparticles.

  3. Registration of T-2 mycotoxin with total internal reflection ellipsometry and QCM impedance methods.

    Science.gov (United States)

    Nabok, A V; Tsargorodskaya, A; Holloway, A; Starodub, N F; Gojster, O

    2007-01-15

    A sensitive optical method of total internal reflection ellipsometry (TIRE) in conjunction with immune assay approach was exploited for the registration of T-2 mycotoxin in a wide range of concentrations from 100 microg/ml down to 0.15 ng/ml. Association constants of 1.4x10(6) and 1.9x10(7)mol(-1)s for poly- and monoclonal T-2 antibodies, respectively, were evaluated from TIRE kinetic measurements. According to TIRE data fitting, binding of T-2 molecules to antibodies (at saturation) has resulted in the increase in adsorbed layer thickness of 4-5 nm. The QCM impedance measurements data showed anomalously large mass increase and film softening, most likely, due to the binding of large T-2 aggregates to antibodies.

  4. Simple and Efficient One-Pot Synthesis, Spectroscopic Characterization and Crystal Structure of Methyl 5-(4-Chlorobenzoyloxy-1-phenyl-1H-pyrazole-3-carboxylate

    Directory of Open Access Journals (Sweden)

    Imtiaz Khan

    2012-07-01

    Full Text Available A facile one-pot synthesis of methyl 5-(4-chlorobenzoyloxy-1-phenyl-1H-pyrazole-3-carboxylate (4 is described. The title compound was efficiently synthesized by the reaction of phenyl hydrazine, dimethyl acetylenedicarboxylate and 4-chlorobenzoyl chloride in dichloromethane under reflux in good yield. The structure of the target compound was deduced by modern spectroscopic and analytical techniques and unequivocally confirmed by a single crystal X-ray diffraction analysis. The crystal of the title compound belongs to orthorhombic system, space group P 21 21 21 with cell parameters a = 6.6491(3 Å, b = 7.9627(6 Å, c = 30.621(5 Å, α = β = γ = 90° and Z = 4. The crystal packing of the compound (4 is stabilized by an offset π-stacking between the planar benzoyl-substituted diazole moieties.

  5. Crystal Growth and Spectroscopic characterization of chloride and bromide single crystals doped with rare earth ions for the mid infrared amplification

    International Nuclear Information System (INIS)

    Ferrier, A.

    2007-12-01

    This work is devoted to the study of low phonon energy crystals doped with rare earth ions for the realisation of diode-pumped solid state laser sources emitting in the middle infrared. For that purpose, pure and (Er 3+ or Pr 3+ ) doped single crystals of KPb 2 Cl 5 and Tl 3 PbX 5 (X=Cl, Br) have been elaborated by using the Bridgman-Stockbarger method. These non-hygroscopic and congruent melting materials have been found to exhibit phase transitions during the cooling process but which do not limit the elaboration of centimeter-size single crystals. The spectroscopic study of the Er 3+ doped compounds has been performed both at high and low temperatures. It thus appears that these systems present long fluorescence lifetimes and relatively large gain cross sections favorable for a laser emission around 4.5μm. It has been demonstrated further that the up-conversion processes resulting from excited-state absorptions of the Er 3+ ions around the pumping wavelength as well as the energy transfer processes between the Er 3+ ions do not lead to significant optical losses for the laser system. The derived parameters then have been used to build a model and simulate the laser operation of the system following diode pumping around 800 nm. In the end, the spectroscopic study of the Pr 3+ ion in various materials has allowed us to evidence large emission cross sections associated with long fluorescence lifetimes, now favorable to a laser emission around 5μm. (author)

  6. Optical spectra of Zn{sub 1-x}Be{sub x}Te mixed crystals determined by IR-VIS-UV ellipsometry and photoluminescence measurements

    Energy Technology Data Exchange (ETDEWEB)

    Wronkowska, A.A., E-mail: aleksandra.wronkowska@utp.edu.p [Institute of Mathematics and Physics, University of Technology and Life Sciences, S. Kaliskiego 7, PL-85796 Bydgoszcz (Poland); Arwin, H. [Department of Physics, Chemistry and Biology, Linkoeping University, SE-58183 Linkoeping (Sweden); Firszt, F.; Legowski, S. [Institute of Physics, Nicholas Copernicus University, Grudziadzka 5, PL-87100 Torun (Poland); Wronkowski, A.; Skowronski, L. [Institute of Mathematics and Physics, University of Technology and Life Sciences, S. Kaliskiego 7, PL-85796 Bydgoszcz (Poland)

    2011-02-28

    Spectroscopic ellipsometry in the photon energy range from 0.04 eV to 6.50 eV is used for investigation of the optical response of Zn{sub 1-x}Be{sub x}Te crystals grown by a high-pressure Bridgman method in the composition range x {<=} 0.12. Infrared spectra display absorption bands centred between 411 cm{sup -1} and 420 cm{sup -1} associated with BeTe-type optical phonon modes. The positions of the transverse-optical and longitudinal-optical phonon modes have been found by modelling the line shape of the complex dielectric functions, {epsilon}-tilde and Im(-{epsilon}-tilde{sup -1}), using a classical damped Lorentzian oscillator approach. Ellipsometric measurements in the VIS-UV range allow determination of the fundamental energy-gap (E{sub 0}) and the higher threshold energies (E{sub 1}, E{sub 1} + {Delta}{sub 1}, E{sub 2}) originating from the band edge and spin-orbit splitting critical points. We have found that the Be content x = 0.12 causes an increase of the fundamental energy gap about 0.15 eV at room temperature when compared to the E{sub 0} = 2.23 eV of ZnTe crystal at the same temperature. Photoluminescence spectra were measured in the temperature range from 30 K to room temperature. Luminescence at temperature T > 200 K is very weak. The peak positions of the exciton emission lines agree well with the E{sub 0} band-gaps derived from ellipsometric data if corrected for their temperature dependence.

  7. Synthesis, spectroscopic and structural characterization of 5-benzoyl-4-phenyl-2-methylthio-1H-pyrimidine with theoretical calculations using density functional theory

    Science.gov (United States)

    İnkaya, Ersin; Dinçer, Muharrem; Şahan, Emine; Yıldırım, İsmail

    2013-10-01

    In this paper, we will report a combined experimental and theoretical investigation of the molecular structure and spectroscopic parameters (FT-IR, 1H NMR, 13C NMR) of 5-benzoyl-4-phenyl-2-methylthio-1H-pyrimidine. The compound crystallizes in the triclinic space group P-1 with Z = 2. The molecular geometry was also optimized using density functional theory (DFT/B3LYP) method with the 6-311G(d,p) and 6-311++G(d,p) basis sets in ground state and compared with the experimental data. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecules has been obtained by mapping electron density isosurface with electrostatic potential (ESP). Also, non-linear optical properties of the title compound were performed at B3LYP/6-311++G(d,p) level. The theoretical results showed an excellent agreement with the experimental values.

  8. Immersion transmission ellipsometry (ITE): a new method for the precise determination of the 3D indicatrix of thin films

    Science.gov (United States)

    Jung, C. C.; Stumpe, J.

    2005-02-01

    The new method of immersion transmission ellipsometry (ITE) [1] has been developed. It allows the highly accurate determination of the absolute three-dimensional (3D) refractive indices of anisotropic thin films. The method is combined with conventional ellipsometry in transmission and reflection, and the thickness determination of anisotropic films solely by optical methods also becomes more accurate. The method is applied to the determination of the 3D refractive indices of thin spin-coated films of an azobenzene-containing liquid-crystalline copolymer. The development of the anisotropy in these films by photo-orientation and subsequent annealing is demonstrated. Depending on the annealing temperature, oblate or prolate orders are generated.

  9. Spectroscopic characterization and temporal dynamics of energy transfer process between Tm3+ -Ho3+ and Yb3+ -Tm3+ ions in LiYF4 and LiLuF4 crystals

    International Nuclear Information System (INIS)

    Tarelho, Luiz Vicente Gomes

    2001-01-01

    In this work, we perform spectroscopic studies to characterize the energy transfer processes occurring in rare-earth doped lithium fluoride systems, aiming the optimization of the population inversion of these media. Yb 3+ ion was used in order to probe the electron-phonon coupling in LiYF 4 , LiGdF 4 and LiLuF 4 matrices. In these systems it was obtained the average phononenergy, the vibronic transition probability and Huang-Rhys coupling constant. These parameters are dependent on the crystal host and the LiLuF 4 system presents excluded correlation effects, an electronic repulsion that weakens the vibronic coupling. The Tm:Ho:LiYF 4 system was studied under diode laser pumping at 796 nm, aiming the 2 μm emission optimization. The ideal conditions of concentration and laser power were determined favouring the latter emission. Upconversion processes of two photons were identified besides the energy transfer among ions. The dynamic processes of luminescence of donors and acceptors allowed one to classify the energy transfer process as an energy transfer process assisted by fast diffusion among donors. The spectroscopic study of the Yb:Tm:LiYF 4 allowed the determination of efficient non resonant transfer mechanisms between ( 2 F 5/2 ) Ytterbium level and ( 3 H 5 ) Thulium level, assisted by two phonon with hopping migration among donors ( Foerster-Burshtein model). The repopulation process of the Yb donor level is due to a cooperative sensitization between Yb-Tm pairs followed by an energy transfer process. (author)

  10. Vacuum-ultraviolet ellipsometry spectra and optical properties of Ba(Zr,Ti)O.sub.3./sub. films

    Czech Academy of Sciences Publication Activity Database

    Suchaneck, G.; Chernova, Ekaterina; Kleiner, A.; Liebschner, R.; Jastrabík, Lubomír; Meyer, D.C.; Dejneka, Alexandr; Gerlach, G.

    2017-01-01

    Roč. 621, Jan (2017), s. 58-62 ISSN 0040-6090 R&D Projects: GA ČR GA15-13778S Institutional support: RVO:68378271 Keywords : barium zirconate titanate thin film * film structure * VUV ellipsometry * optical properties Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.879, year: 2016

  11. Short-echo 3D H-1 Magnetic Resonance Spectroscopic Imaging of patients with glioma at 7T for characterization of differences in metabolite levels

    Science.gov (United States)

    Li, Yan; Larson, Peder; Chen, Albert P.; Lupo, Janine M.; Ozhinsky, Eugene; Kelley, Douglas; Chang, Susan M.; Nelson, Sarah J.

    2014-01-01

    Purpose The purpose of this study was to evaluate the feasibility of using a short echo time, 3D H-1 magnetic resonance spectroscopic imaging (MRSI) sequence at 7T to assess the metabolic signature of lesions for patients with glioma. Materials and Methods 29 patients with glioma were studied. MRSI data were obtained using CHESS water suppression, spectrally-selective adiabatic inversion-recovery pulses and automatically prescribed outer-volume-suppression for lipid suppression, and spin echo slice selection (TE=30ms). An interleaved flyback echo-planar trajectory was applied to shorten the total acquisition time (~10min). Relative metabolite ratios were estimated in tumor and in normal-appearing white and gray matter (NAWM, GM). Results Levels of glutamine, myo-inositol, glycine and glutathione relative to total creatine (tCr) were significantly increased in the T2 lesions for all tumor grades compared to those in the NAWM (p < 0.05), while N-acetyl aspartate to tCr were significantly decreased (p < 0.05). In grade 2 gliomas, level of total choline-containing-compounds to tCr was significantly increased (p = 0.0137), while glutamate to tCr was significantly reduced (p = 0.0012). Conclusion The improved sensitivity of MRSI and the increased number of metabolites that can be evaluated using 7T MR scanners is of interest for evaluating patients with glioma. This study has successfully demonstrated the application of a short-echo spin-echo MRSI sequence to detect characteristic differences in regions of tumor versus normal appearing brain. PMID:24935758

  12. Implementation of Optical Characterization for Flexible Organic Electronics Applications

    Science.gov (United States)

    Laskarakis, A.; Logothetidis, S.

    One of the most rapidly evolving sectors of the modern science and technology is the flexible organic electronic devices (FEDs) that are expected to significantly improve and revolutionize our everyday life. The FED application includes the generation of electricity by renewable sources (by organic photovoltaic cells - OPVs), power storage (thin film batteries), the visualization of information (by organic displays), the working and living environment (ambient lighting, sensors), safety, market (smart labels, radio frequency identification tags - RFID), textiles (smart fabrics with embedded display and sensor capabilities), as well as healthcare (smart sensors for vital sign monitoring), etc. Although there has been important progresses in inorganic-based Si devices, there are numerous advances in the organic (semiconducting, conducting), inorganic, and hybrid (organic-inorganic) materials that exhibit desirable properties and stability, and in the synthesis and preparation methods. The understanding of the organic material properties can lead to the fast progress of the functionality and performance of FEDs. The investigation of the optical properties of these materials can promote the understanding of the optical, electrical, structural properties of organic semiconductors and electrodes and can contribute to the optimization of the synthesis process and the tuning of their structure and morphology. In this chapter, we will describe briefly some of the advances toward the implementation of optical characterization methods, such as Spectroscopic Ellipsometry (SE) from the infrared to the visible and ultraviolet spectral region for the study of materials (flexible polymer substrates, barrier layers, transparent electrodes) to be used for application in the fabrication of FEDs.

  13. Synthesis, Characterization and Optical Constants of Silicon Oxycarbide

    Directory of Open Access Journals (Sweden)

    Memon Faisal Ahmed

    2017-01-01

    Full Text Available High refractive index glasses are preferred in integrated photonics applications to realize higher integration scale of passive devices. With a refractive index that can be tuned between SiO2 (1.45 and a-SiC (3.2, silicon oxycarbide SiOC offers this flexibility. In the present work, silicon oxycarbide thin films from 0.1 – 2.0 μm thickness are synthesized by reactive radio frequency magnetron sputtering a silicon carbide SiC target in a controlled argon and oxygen environment. The refractive index n and material extinction coefficient k of the silicon oxycarbide films are acquired with variable angle spectroscopic ellipsometry over the UV-Vis-NIR wavelength range. Keeping argon and oxygen gases in the constant ratio, the refractive index n is found in the range from 1.41 to 1.93 at 600 nm which is almost linearly dependent on RF power of sputtering. The material extinction coefficient k has been estimated to be less than 10-4 for the deposited silicon oxycarbide films in the visible and near-infrared wavelength regions. Morphological and structural characterizations with SEM and XRD confirms the amorphous phase of the SiOC films.

  14. Synthesis and spectroscopic and structural characterization of the monomeric diborylphosphine and diphosphinoborane compounds PhP(BMes2)2 and MesB(PPh2)2 (Mes = 2,4,6-Me3C6H2)

    International Nuclear Information System (INIS)

    Bartlett, R.A.; Dias, H.V.R.; Power, P.P.

    1988-01-01

    The synthesis and spectroscopic and first x-ray structural characterization of a diborylphosphine, PhP(BMes 2 ) 2 (1), and a diphosphinoborane, MesB(PPh 2 ) 2 (2), are described. The structure of 1 has a planar core that involves the phosphorus and two boron atoms and also the five substituent carbons. In addition, the B-P bond lengths are shortened, which suggests a close structural analogy between 1 and the allyl cation. In the case of 2, although the boron remains planar, both phosphorus centers are pyramidal with slightly longer B-P bonds than in 1. Both 1 and 2 are the first examples of their respective classes of compound to be well characterized. Crystal data with Mo Kα radiation (λ = 0.71069 /angstrom/) at 130 K are as follows. 1: a = 14.302 (4) /angstrom/, b = 15.701 (3) /angstrom/, c = 16.601 (6) /angstrom/, β = 109.61 (2)/degrees/; monoclinic, space group C2/c, Z = 4, R = 0.059. 2: a = 7.815 (2) /angstrom/, b = 8.723 (2) /angstrom/, c = 40.147 (10) /angstrom/, β = 94.90 (2)/degrees/; monoclinic, space group P2 1 /n, Z = 4, R = 0.041. A listing of available 11 B and 31 P NMR data on compounds involving triply connected boron and phosphorus centers is also provided and discussed in the context of the data for 1 and 2. 25 references, 2 figures, 4 tables

  15. Ellipsometry study of process deposition of amorphous Indium Gallium Zinc Oxide sputtered thin films

    International Nuclear Information System (INIS)

    Talagrand, C.; Boddaert, X.; Selmeczi, D.G.; Defranoux, C.; Collot, P.

    2015-01-01

    This paper reports on an InGaZnO optical study by spectrometric ellipsometry. First of all, the fitting results of different models and different structures are analysed to choose the most appropriate model. The Tauc–Lorentz model is suitable for thickness measurements but a more complex model allows the refractive index and extinction coefficient to be extracted more accurately. Secondly, different InGaZnO process depositions are carried out in order to investigate stability, influence of deposition time and uniformity. Films present satisfactory optical stability over time. InGaZnO optical property evolution as a function of deposition time is related to an increase in temperature. To understand the behaviour of uniformity, mapping measurements are correlated to thin film resistivity. Results show that temperature and resputtering are the two phenomena that affect IGZO uniformity. - Highlights: • Model and structure are investigated to fit IGZO ellipsometric angles. • Maximum refractive index rises with substrate temperature and thus deposition time. • Resputtering leads to inhomogeneity in IGZO electrical and optical properties

  16. Glass transition in thin supported polystyrene films probed by temperature-modulated ellipsometry in vacuum.

    Science.gov (United States)

    Efremov, Mikhail Yu; Kiyanova, Anna V; Last, Julie; Soofi, Shauheen S; Thode, Christopher; Nealey, Paul F

    2012-08-01

    Glass transition in thin (1-200 nm thick) spin-cast polystyrene films on silicon surfaces is probed by ellipsometry in a controlled vacuum environment. A temperature-modulated modification of the method is used alongside a traditional linear temperature scan. A clear glass transition is detected in films with thicknesses as low as 1-2 nm. The glass transition temperature (T(g)) shows no substantial dependence on thickness for coatings greater than 20 nm. Thinner films demonstrate moderate T(g) depression achieving 18 K for thicknesses 4-7 nm. Less than 4 nm thick samples are excluded from the T(g) comparison due to significant thickness nonuniformity (surface roughness). The transition in 10-20 nm thick films demonstrates excessive broadening. For some samples, the broadened transition is clearly resolved into two separate transitions. The thickness dependence of the glass transition can be well described by a simple 2-layer model. It is also shown that T(g) depression in 5 nm thick films is not sensitive to a wide range of experimental factors including molecular weight characteristics of the polymer, specifications of solvent used for spin casting, substrate composition, and pretreatment of the substrate surface.

  17. Ellipsometry study of process deposition of amorphous Indium Gallium Zinc Oxide sputtered thin films

    Energy Technology Data Exchange (ETDEWEB)

    Talagrand, C., E-mail: talagrand@emse.fr [Ecole des Mines de Saint-Etienne CMP-GC, Dept PS2, Gardanne, 880 route de Mimet (France); Boddaert, X. [Ecole des Mines de Saint-Etienne CMP-GC, Dept PS2, Gardanne, 880 route de Mimet (France); Selmeczi, D.G.; Defranoux, C. [Semilab Semiconductor Physics Laboratory Co. Ltd., Budapest, 1117 (Hungary); Collot, P. [Ecole Nationale Supérieure d' Arts et Métiers ParisTech, Aix-en-Provence, 2 cours des Arts et Métiers (France)

    2015-09-01

    This paper reports on an InGaZnO optical study by spectrometric ellipsometry. First of all, the fitting results of different models and different structures are analysed to choose the most appropriate model. The Tauc–Lorentz model is suitable for thickness measurements but a more complex model allows the refractive index and extinction coefficient to be extracted more accurately. Secondly, different InGaZnO process depositions are carried out in order to investigate stability, influence of deposition time and uniformity. Films present satisfactory optical stability over time. InGaZnO optical property evolution as a function of deposition time is related to an increase in temperature. To understand the behaviour of uniformity, mapping measurements are correlated to thin film resistivity. Results show that temperature and resputtering are the two phenomena that affect IGZO uniformity. - Highlights: • Model and structure are investigated to fit IGZO ellipsometric angles. • Maximum refractive index rises with substrate temperature and thus deposition time. • Resputtering leads to inhomogeneity in IGZO electrical and optical properties.

  18. TEM and ellipsometry studies of nanolaminate oxide films prepared using atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, D.R.G. [Materials and Engineering Science, ANSTO, PMB 1, Menai, NSW 2234 (Australia)]. E-mail: drm@ansto.gov.au; Attard, D.J. [Materials and Engineering Science, ANSTO, PMB 1, Menai, NSW 2234 (Australia); Finnie, K.S. [Materials and Engineering Science, ANSTO, PMB 1, Menai, NSW 2234 (Australia); Triani, G. [Materials and Engineering Science, ANSTO, PMB 1, Menai, NSW 2234 (Australia); Barbe, C.J. [Materials and Engineering Science, ANSTO, PMB 1, Menai, NSW 2234 (Australia); Depagne, C. [Materials and Engineering Science, ANSTO, PMB 1, Menai, NSW 2234 (Australia); Bartlett, J.R. [Materials and Engineering Science, ANSTO, PMB 1, Menai, NSW 2234 (Australia)

    2005-04-30

    Nanolaminate oxide layers consisting of TiO{sub 2} and Al{sub 2}O{sub 3} have been deposited on silicon using atomic layer deposition (ALD). Characterisation of these films has been achieved by use of a range of modern transmission electron microscopy (TEM)-based techniques, including plasmon loss imaging, energy filtered imaging and scanning TEM (STEM) X-ray line profiling. These have shown that the target thickness of the individual layers in the nanolaminate structures (20 nm) has been met with a high degree of accuracy, that the layers are extremely flat and parallel and that the interfaces between the layers are compositionally abrupt. Localised crystallisation within the stacks, and responses to electron beam irradiation point to the presence of a stress gradient within the layers. The performance of ellipsometry in characterising multilayer stacks has been benchmarked against the TEM measurements. Errors in determination of individual layer thicknesses were found to increase with growing stack size, as expected given the increasing number of interfaces incorporated in each model. The most sophisticated model gave maximum deviations of {+-}4 nm from the TEM determined values for the 5- and 10-layer stacks.

  19. Segment density profiles of polyelectrolyte brushes determined by Fourier transform ellipsometry

    Science.gov (United States)

    Biesalski, Markus; Rühe, Jürgen; Johannsmann, Diethelm

    1999-10-01

    We describe a method for the explicit determination of the segment density profile φ(z) of surface-attached polymer brushes with multiple angle of incidence null-ellipsometry. Because the refractive index contrast between the brush layer and the solvent is weak, multiple reflections are of minor influence and the ellipsometric spectrum is closely related to the Fourier transform of the refractive index profile, thereby allowing for explicit inversion of the ellipsometric data. We chose surface-attached monolayers of polymethacrylic acid (PMAA), a weak polyelectrolyte, as a model system and determined the segment density profile of this system as a function of the pH value of the surrounding medium by the Fourier method. Complementary to the Fourier analysis, fits with error functions are given as well. The brushes were prepared on the bases of high refractive index prisms with the "grafting-from" technique. In water, the brushes swell by more than a factor of 30. The swelling increases with increasing pH because of a growing fraction of dissociated acidic groups leading to a larger electrostatic repulsion.

  20. Novel laser ellipsometry method for the KATRIN condensed {sup 83m}Kr source

    Energy Technology Data Exchange (ETDEWEB)

    Zboril, Miroslav [Muenster Univ. (Germany). Inst. fuer Kernphysik; Collaboration: KATRIN-Collaboration

    2013-07-01

    One of the systematic effects in the neutrino mass experiment KATRIN are the fluctuations of the electric retarding potential which is experienced by the tritium β electrons on their path through the spectrometer. For the purpose of long-term monitoring of the energy scale stability several calibration electron sources will be utilised at KATRIN. One of them is the condensed {sup 83m}Kr source based on a frozen {sup 83m}Kr film on a HOPG backing at about 20 K. The isomeric state decays via a cascade of highly converted transitions, yielding conversion electron lines with energies ranging from 7.5 keV to 32.1 keV, useful for the energy calibration. The cleanliness of the HOPG backing is crucial as any adsorption of residual gas would shift the kinetic energy of the conversion electrons. The backing is cleaned via laser ablation and resistive heating. The cleanliness is checked via a novel method of laser ellipsometry where the polarisation analysis takes place directly in ultrahigh vacuum. The polarisation analysis is realised by an analyser and light detector at 90 K embedded in the cold baffle. This method allows to determine film thicknesses with a resolution of better than an atomic monolayer. As a byproduct it can be also used to determine the indices of refraction of condensed krypton and of the HOPG backing. The main features of the calibration source will be reviewed and the results of test measurements will be presented.

  1. Substrate specificity, metal binding properties, and spectroscopic characterization of the DapE-encoded N-succinyl-L,L-diaminopimelic acid desuccinylase from Haemophilus influenzae.

    Science.gov (United States)

    Bienvenue, David L; Gilner, Danuta M; Davis, Ryan S; Bennett, Brian; Holz, Richard C

    2003-09-16

    The catalytic and structural properties of divalent metal ion cofactor binding sites in the dapE-encoded N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) from Haemophilus influenzae were investigated. Co(II)-substituted DapE enzyme was 25% more active than the Zn(II)-loaded form of the enzyme. Interestingly, Mn(II) can activate DapE, but only to approximately 20% of the Zn(II)-loaded enzyme. The order of the observed k(cat) values are Co(II) > Zn(II) > Cd(II) > Mn(II) >Ni(II) approximately equal Cu(II) approximately equal Mg(II). DapE was shown to only hydrolyze L,L-N-succinyl-diaminopimelic acid (L,L-SDAP) and was inactive toward D,L-, L,D-, and D,D-SDAP. DapE was also inactive toward several acetylated amino acids as well as D,L-succinyl aminopimelate, which differs from the natural substrate, L,L-SDAP, by the absence of the amine group on the amino acid side chain. These data imply that the carboxylate of the succinyl moiety and the amine form important interactions with the active site of DapE. The affinity of DapE for one versus two Zn(II) ions differs by nearly 2.2 x 10(3) times (K(d1) = 0.14 microM vs K(d2) = 300 microM). In addition, an Arrhenius plot was constructed from k(cat) values measured between 16 and 35 degrees C and was linear over this temperature range. The activation energy for [ZnZn(DapE)] was found to be 31 kJ/mol with the remaining thermodynamic parameters calculated at 25 degrees C being DeltaG(++) = 64 kJ/mol, DeltaH(++) = 28.5 kJ/mol, and DeltaS(++) = -119 J mol(-1) K(-1). Electronic absorption and EPR spectra of [Co_(DapE)] and [CoCo(DapE)] indicate that the first Co(II) binding site is five-coordinate, while the second site is octahedral. In addition, any spin-spin interaction between the two Co(II) ions in [CoCo(DapE)] is very weak. The kinetic and spectroscopic data presented herein suggest that the DapE from H. influenzae has similar divalent metal binding properties to the aminopeptidase from Aeromonas proteolytica (AAP), and

  2. FTIR-spectroscopic measurements of beryls of various sources and the geological mineralogical and gemmological characterization of diamonds of the Espinhago-range (Minas Gerais, Brazil)

    International Nuclear Information System (INIS)

    Banko, A. G.

    1997-09-01

    In this work international material of beryl was analyzed by FTIR-spectroscopy, electron microprobe, analytical scanning microscopy, moisture evolution analyzer and fluorine sensitive electrode. The FTIR-spectroscopic measurements and the determination of analytical water content reveal a logarithmic correlation between the beryl water content and the intensity of the H 2 O-combination band at 5275 cm -1 , using unpolarized IR-light. In addition, the intensities of the 3990 - 3970 cm -1 ,-, 3234 cm -1 and 3345 cm -1 -bands, measured with polarized IR-light parallel to the c-axis, are linearly correlated to the content of the alkali metals. Probably these bands correspond to fundamental (1st overtone of H 2 O-II/3234 cm -1 - and 3345 cm -1 ) and combination (alkaliO-H...OH 2 -II/ 3990 - 3970 cm -1 ) modes of bending vibrations. Beryl was deuterated at various temperature. No absorption were detected in the region at around 2390 cm -1 , 2470 cm -1 and 2940 cm -1 , which would prove an assignment related to the present of hydrogen. If alkali-hydroxide grouping in beryl-channel-positions is indeuterable, the model of fundamental and combination modes seems to be valid. The band at 3990 - 3970 cm -1 can also be assigned to the combination mode of alkali-oxygen (alkali (6),(12) -O-bonds) vibrations and the normal modes of the H 2 O- II -molecule. The three integral absorption coefficients - α 5267 (H 2 O-II)t α 5275 (H 2 O-I) and α 2358 (CO 2 ) - were used to subdivide the beryls into groups. The Espinhago-Diamond-Province reflects an interesting geologic history from Precambrian placer- to recent alluvial deposits. Mineralogical and gemmological features, in combination with geological aspects reflect the many reworking processes which affected Espinhago diamonds in time and space: the characteristics of diamond populations in their specific geologic environment represent the natural selection, which eliminated stones of low quality during geologic history. (author)

  3. Chemical vapor deposition of three aminosilanes on silicon dioxide: surface characterization, stability, effects of silane concentration, and cyanine dye adsorption.

    Science.gov (United States)

    Zhang, Feng; Sautter, Ken; Larsen, Adam M; Findley, Daniel A; Davis, Robert C; Samha, Hussein; Linford, Matthew R

    2010-09-21

    Covalently bonded monolayers of two monofunctional aminosilanes (3-aminopropyldimethylethoxysilane, APDMES, and 3-aminopropyldiisopropylethoxysilane, APDIPES) and one trifunctional aminosilane (3-aminopropyltriethoxysilane, APTES) have been deposited on dehydrated silicon substrates by chemical vapor deposition (CVD) at 150 °C and low pressure (a few Torr) using reproducible equipment. Standard surface analytical techniques such as x-ray photoelectron spectroscopy (XPS), contact angle goniometry, spectroscopic ellipsometry, atomic force microscopy, and time-of-flight secondary ion mass spectroscopy (ToF-SIMS) have been employed to characterize the resulting films. These methods indicate that essentially constant surface coverages are obtained over a wide range of gas phase concentrations of the aminosilanes. XPS data further indicate that the N1s/Si2p ratio is higher after CVD with the trifunctional silane (APTES) compared to the monofunctional ones, with a higher N1s/Si2p ratio for APDMES compared to that for APDIPES. AFM images show an average surface roughness of 0.12- 0.15 nm among all three aminosilane films. Stability tests indicate that APDIPES films retain most of their integrity at pH 10 for several hours and are more stable than APTES or APDMES layers. The films also showed good stability against storage in the laboratory. ToF-SIMS of these samples showed expected peaks, such as CN(-), as well as CNO(-), which may arise from an interaction between monolayer amine groups and silanols. Optical absorption measurements on adsorbed cyanine dye at the surface of the aminosilane films show the formation of dimer aggregates on the surface. This is further supported by ellipsometry measurements. The concentration of dye on each surface appears to be consistent with the density of the amines.

  4. M-line spectroscopic, spectroscopic ellipsometric and microscopic measurements of optical waveguides fabricated by MeV-energy N{sup +} ion irradiation for telecom applications

    Energy Technology Data Exchange (ETDEWEB)

    Bányász, I., E-mail: banyasz@sunserv.kfki.hu [Wigner Research Centre for Physics, Hungarian Academy of Sciences, P.O.B. 49, H-1525, Budapest (Hungary); Berneschi, S. [“Enrico Fermi” Center for Study and Research, Piazza del Viminale 2, 00184 Roma (Italy); MDF-Lab, “Nello Carrara” Institute of Applied Physics, IFAC-CNR, Via Madonna del Piano 10, 50019 Sesto Fiorentino (Italy); Fried, M.; Lohner, T. [Institute of Technical Physics and Materials Science, Research Centre for Natural Sciences, Hungarian Academy of Sciences, P.O.B. 49, H-1525, Budapest (Hungary); Conti, G. Nunzi; Righini, G.C.; Pelli, S. [MDF-Lab, “Nello Carrara” Institute of Applied Physics, IFAC-CNR, Via Madonna del Piano 10, 50019 Sesto Fiorentino (Italy); Zolnai, Z. [Institute of Technical Physics and Materials Science, Research Centre for Natural Sciences, Hungarian Academy of Sciences, P.O.B. 49, H-1525, Budapest (Hungary)

    2013-08-31

    Irradiation with N{sup +} ions of the 1.5–3.5 MeV energy range was applied to optical waveguide formation. Planar and channel waveguides have been fabricated in an Er-doped tungsten–tellurite glass, and in both types of bismuth germanate (BGO) crystals: Bi{sub 4}Ge{sub 3}O{sub 12} (eulytine) and Bi{sub 12}GeO{sub 20} (sillenite). Multi-wavelength m-line spectroscopy and spectroscopic ellipsometry were used for the characterisation of the ion beam irradiated waveguides. Planar waveguides fabricated in the Er-doped tungsten–tellurite glass using irradiation with N{sup +} ions at 3.5 MeV worked even at the 1550 nm telecommunication wavelength. 3.5 MeV N{sup +} ion irradiated planar waveguides in eulytine-type BGO worked up to 1550 nm and those in sillenite-type BGO worked up to 1330 nm. - Highlights: ► Waveguides were fabricated in glass and crystals using MeV energy N{sup +} ions. ► SRIM simulation and spectroscopic ellipsometry yielded similar waveguide structures. ► Multi-wavelength m-line spectroscopy was used to study the waveguides. ► Waveguides fabricated in an Er-doped tungsten–tellurite glass worked up to 1.5 μm. ► Waveguides in Bi{sub 12}GeO{sub 20} remained operative up to 1.5 μm.

  5. Microscopic and spectroscopic characterization of humic substances from a compost amended copper contaminated soil: main features and their potential effects on Cu immobilization.

    Science.gov (United States)

    Medina, Jorge; Monreal, Carlos; Chabot, Denise; Meier, Sebastián; González, María Eugenia; Morales, Esteban; Parillo, Rita; Borie, Fernando; Cornejo, Pablo

    2017-06-01

    We characterized humic substances (HS) extracted from a Cu-contaminated soil without compost addition (C) or amended with a wheat straw-based compost (WSC) (H1), co-composted with Fe 2 O 3 (H2), or co-composted with an allophane-rich soil (H3). Extracted HS were characterized under electron microscopy (SEM/TEM), energy-dispersive X-ray (X-EDS), and Fourier transform infrared (FTIR) spectroscopy. In addition, HS extracted from WSC (H4) were characterized at pH 4.0 and 8.0 with descriptive purposes. At pH 4.0, globular structures of H4 were observed, some of them aggregating within a large network. Contrariwise, at pH 8.0, long tubular and disaggregated structures prevailed. TEM microscopy suggests organo-mineral interactions at scales of 1 to 200 nm with iron oxide nanoparticles. HS extracted from soil-compost incubations showed interactions at nanoscale with minerals and crystal compounds into the organic matrix of HS. Bands associated to acidic functional groups of HS may suggest potential sorption interactions with transition metals. We conclude that metal ions and pH have an important role controlling the morphology and configuration of HS from WSC. Characterization of H4 extracted from WSC showed that physicochemical protection of HS could be present in composting systems treated with inorganic materials. Finally, the humified fractions obtained from compost-amended soils may have an important effect on metal-retention, supporting their potential use in metal-contaminated soils.

  6. Spectroscopic surveys of LAMOST

    International Nuclear Information System (INIS)

    Zhao Yongheng

    2015-01-01

    The Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST), a new type of reflecting Schmidt telescope, has been designed and produced in China. It marks a breakthrough for large scale spectroscopic survey observation in that both large aperture and wide field of view have been achieved. LAMOST has the highest spectrum acquisition rate, and from October 2011 to June 2014 it has obtained 4.13 million spectra of celestial objects, of which 3.78 million are spectra of stars, with the stellar parameters of 2.20 million stars included. (author)

  7. Characterization and Analysis of Ultrathin CIGS Films and Solar Cells Deposited by 3-Stage Process

    Directory of Open Access Journals (Sweden)

    Grace Rajan

    2018-01-01

    Full Text Available In view of the large-scale utilization of Cu(In,GaSe2 (CIGS solar cells for photovoltaic application, it is of interest not only to enhance the conversion efficiency but also to reduce the thickness of the CIGS absorber layer in order to reduce the cost and improve the solar cell manufacturing throughput. In situ and real-time spectroscopic ellipsometry (RTSE has been used conjointly with ex situ characterizations to understand the properties of ultrathin CIGS films. This enables monitoring the growth process, analyzing the optical properties of the CIGS films during deposition, and extracting composition, film thickness, grain size, and surface roughness which can be corroborated with ex situ measurements. The fabricated devices were characterized using current voltage and quantum efficiency measurements and modeled using a 1-dimensional solar cell device simulator. An analysis of the diode parameters indicates that the efficiency of the thinnest cells was restricted not only by limited light absorption, as expected, but also by a low fill factor and open-circuit voltage, explained by an increased series resistance, reverse saturation current, and diode quality factor, associated with an increased trap density.

  8. X-ray spectroscopic characterization of laser produced hot dense plasmas; Caracterisation par spectroscopie X de plasmas chauds et denses crees par lasers de puissance

    Energy Technology Data Exchange (ETDEWEB)

    Kontogiannopoulos, N

    2007-12-15

    In this work we performed experiments of emission and absorption spectroscopy of laser produced plasmas, to provide well characterized spectral data which permit to benchmark atomic physics codes. More precisely, we produced xenon and krypton plasmas in NLTE (non local thermodynamic equilibrium) conditions and studied their emission spectra. In a second experiment, we characterized the absorption spectra of zinc sulfide and aluminium plasmas in LTE (local thermodynamic equilibrium) conditions.The first two chapters give an outline of the theory involved in the study of the emission and absorption plasma spectroscopy. Chapter 1 describes the different atomic processes occurring in a plasma. The LTE and the NLTE statistics ruling the equilibrium of the atomic processes are presented. Then, we give a brief description of the different codes of plasma atomic physics used in the analysis of our experimental data, namely HULLAC, SCO and TRANSPEC/AVERROES. In Chapter 2 the macroscopic theory of the radiation transport through a plasma is given. We describe also the self-similar model of Basko and the view factor approach, which permits us to calculate the heating conditions of the absorption foils achieved in the interior of the spherical gold cavity. Chapter 3 gives a description of the instruments used for realizing the two experiments, as well as the technical characteristics of the LULI2000 laser facility used to perform the experiments. Chapter 4 presents the experiment realized to characterize the emission spectra of the xenon and krypton plasmas in NLTE, as well the analysis of the experimental data with TRANSPEC/AVERROES. Finally, the experiment for measuring the absorption spectrum of the ZnS plasma mixture and the analysis of the experimental data with the code SCO are given in Chapter 5.

  9. Expression, refolding and spectroscopic characterization of fibronectin type III (FnIII)-homology domains derived from human fibronectin leucine rich transmembrane protein (FLRT)-1,-2, and-3

    DEFF Research Database (Denmark)

    Yang, Lila; Falkesgaard, Maria Hansen; Thulstrup, Peter Waaben

    2017-01-01

    various species have been determined, the expression and purification of recombinant FLRT FnIII domains, important steps for further structural and functional characterizations of the proteins, have not yet been described. Here we present a protocol for expressing recombinant FLRT-FnIII domains...... that a strand-strand cystine bridge has significant effect on the stability of the FLRT FnIII fold. We further show by Surface Plasmon Resonance that all three FnIII domains bind to FGFR1, and roughly estimate a Kd for each domain, all Kds being in the µM range....

  10. Interfacial spectroscopic characterization of organic/ferromagnet hetero-junction of 3,4,9,10-perylene-teracarboxylic dianhydride-based organic spin valves

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Jhen-Yong; Ou Yang, Kui-Hon; Li, Kai-Shin [Department of Physics, National Taiwan University, 10617 Taipei, Taiwan (China); Wang, Bo-Yao [Department of Physics, National Taiwan University, 10617 Taipei, Taiwan (China); Department of Physics, National Changhua University of Education, Changhua 500, Taiwan (China); Shiu, Hung-Wei; Chen, Chia-Hao; Chan, Yuet-Loy; Wei, Der-Hsin; Chang, Fan-Hsiu; Lin, Hong-Ji [National Synchrotron Radiation Research Center, 30076 Hsinchu, Taiwan (China); Chiang, Wen-Chung, E-mail: wchiang@faculty.pccu.edu.tw [Department of Physics, Chinese Culture University, 11114 Taipei, Taiwan (China); Lin, Minn-Tsong, E-mail: mtlin@phys.ntu.edu.tw [Department of Physics, National Taiwan University, 10617 Taipei, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, 10617 Taipei, Taiwan (China)

    2014-02-24

    We report interfacial characterization of 3,4,9,10-perylene-teracarboxylic dianhydride (PTCDA)-based organic spin valves (OSV) dusted with a thin layer of partially oxidized alumina at the organic semiconductor (OSC)/ferromagnet (FM) interfaces. Up to 13.5% magnetoresistance is achieved at room temperature. X-ray photoelectron spectroscopy measurements reveal interfacial electronic interaction between PTCDA and FM while the application of a thin alumina layer at the PTCDA/FM interfaces prevents the electronic hybridization and effectively preserves the spin injection into the OSC spacer. This finding demonstrates the critical effect of interfacial structure on magnetotransport behavior in OSV.

  11. Synthesis, X-ray diffraction method, spectroscopic characterization (FT-IR, 1H and 13C NMR), antimicrobial activity, Hirshfeld surface analysis and DFT computations of novel sulfonamide derivatives

    Science.gov (United States)

    Demircioğlu, Zeynep; Özdemir, Fethi Ahmet; Dayan, Osman; Şerbetçi, Zafer; Özdemir, Namık

    2018-06-01

    Synthesized compounds of N-(2-aminophenyl)benzenesulfonamide 1 and (Z)-N-(2-((2-nitrobenzylidene)amino)phenyl)benzenesulfonamide 2 were characterized by antimicrobial activity, FT-IR, 1H and 13C NMR. Two new Schiff base ligands containing aromatic sulfonamide fragment of (Z)-N-(2-((3-nitrobenzylidene)amino)phenyl)benzenesulfonamide 3 and (Z)-N-(2-((4-nitrobenzylidene)amino)phenyl)benzenesulfonamide 4 were synthesized and investigated by spectroscopic techniques including 1H and 13C NMR, FT-IR, single crystal X-ray diffraction, Hirshfeld surface, theoretical method analyses and by antimicrobial activity. The molecular geometry obtained from the X-ray structure determination was optimized Density Functional Theory (DFT/B3LYP) method with the 6-311++G(d,p) basis set in ground state. From the optimized geometry of the molecules of 3 and 4, the geometric parameters, vibrational wavenumbers and chemical shifts were computed. The optimized geometry results, which were well represented the X-ray data, were shown that the chosen of DFT/B3LYP 6-311G++(d,p) was a successful choice. After a successful optimization, frontier molecular orbitals, chemical activity, non-linear optical properties (NLO), molecular electrostatic mep (MEP), Mulliken population method, natural population analysis (NPA) and natural bond orbital analysis (NBO), which cannot be obtained experimentally, were calculated and investigated.

  12. Infrared and Raman spectroscopic characterizations on new Fe sulphoarsenate hilarionite (Fe2(III)(SO4)(AsO4)(OH)·6H2O): Implications for arsenic mineralogy in supergene environment of mine area

    Science.gov (United States)

    Liu, Jing; He, LiLe; Dong, Faqin; Frost, Ray L.

    2017-01-01

    Hilarionite (Fe2 (SO4)(AsO4)(OH)·6H2O) is a new Fe sulphoarsenates mineral, which recently is found in the famous Lavrion ore district, Atliki Prefecture, Greece. The spectroscopic study of hilarionite enriches the data of arsenic mineralogy in supergene environment of a mine area. The infrared and Raman means are used to characterize the molecular structure of this mineral. The IR bands at 875 and 905 cm- 1 are assigned to the antisymmetric stretching vibrations of AsO43 -. The IR bands at 1021, 1086 and 1136 cm- 1 correspond to the possible antisymmetric and symmetric stretching vibrations of SO42 -. The Raman bands at 807, 843 and 875 cm- 1 clearly show that arsenate components in the mineral structure, which are assigned to the symmetric stretching vibrations (ν1) of AsO43 - (807 and 843 cm- 1) and the antisymmetric vibration (ν3) (875 cm- 1). IR bands provide more sulfate information than Raman, which can be used as the basis to distinguish hilarionite from kaňkite. The powder XRD data shows that hilarionite has obvious differences with the mineral structure of kaňkite. The thermoanalysis and SEM-EDX results show that hilarionite has more sulfate than arsenate.

  13. Expedient and click synthesis, spectroscopic characterizations and DFT calculations of novel 1,5-bis(N-substituted 1,2,3‒triazole) benzodiazepinedione scaffolds

    Science.gov (United States)

    Paghandeh, Hossein; Saeidian, Hamid

    2018-04-01

    A practically reliable procedure for synthesis of new 1,5-bis(N-substituted 1,2,3‒triazole) benzodiazepinedione derivatives was reported by sequential amidation, propargylation and a click azide‒alkyne [3 + 2] cycloaddition reaction in a one pot fashion. The desired products were characterized by CHN analysis, 1H and 13C NMR and ESI-MS spectroscopy. Short reaction time, good yields (55-91%), mild reaction conditions and easily available and less expensive starting materials are advantages of this protocol. Natural bond orbital charge distribution and HOMO-LUMO analysis of the characterized structure of 4e have been also calculated by density functional theory (DFT) calculations. The Li+ and Na+ ion affinities of 4e have been also investigated by DFT studies to find the applicability of these products as ligand in coordination chemistry. Sodium ion affinity of 4e was determined as 60 kJ mol-1 is less than its lithium ion affinity, indicating that the lithiation of 4e is more exothermic than the sodiation.

  14. Shell model and spectroscopic factors

    International Nuclear Information System (INIS)

    Poves, P.

    2007-01-01

    In these lectures, I introduce the notion of spectroscopic factor in the shell model context. A brief review is given of the present status of the large scale applications of the Interacting Shell Model. The spectroscopic factors and the spectroscopic strength are discussed for nuclei in the vicinity of magic closures and for deformed nuclei. (author)

  15. 1-(2-furoyl)-3,3-(diphenyl)thiourea: spectroscopic characterization and structural study from X-ray powder diffraction using simulated annealing

    Energy Technology Data Exchange (ETDEWEB)

    Estevez H, O.; Duque, J. [Universidad de La Habana, Instituto de Ciencia y Tecnologia de Materiales, 10400 La Habana (Cuba); Rodriguez H, J. [UNAM, Instituto de Investigaciones en Materiales, 04510 Mexico D. F. (Mexico); Yee M, H., E-mail: oestevezh@yahoo.com [Instituto Politecnico Nacional, Escuela Superior de Fisica y Matematicas, 07738 Mexico D. F. (Mexico)

    2015-07-01

    1-Furoyl-3,3-diphenylthiourea (FDFT) was synthesized, and characterized by Ftir, {sup 1}H and {sup 13}C NMR and ab initio X-ray powder structure analysis. FDFT crystallizes in the monoclinic space group P2{sub 1} with a = 12.691(1), b = 6.026(2), c = 11.861(1) A, β = 117.95(2) and V = 801.5(3) A{sup 3}. The crystal structure has been determined from laboratory X-ray powder diffraction data using direct space global optimization strategy (simulated annealing) followed by the Rietveld refinement. The thiourea group makes a dihedral angle of 73.8(6) with the furoyl group. In the crystal structure, molecules are linked by van der Waals interactions, forming one-dimensional chains along the a axis. (Author)

  16. New organic single crystal of (benzylthio)acetic acid: Synthesis, crystal structure, spectroscopic (ATR-FTIR, 1H and 13C NMR) and thermal characterization

    Science.gov (United States)

    Sienkiewicz-Gromiuk, Justyna; Tarasiuk, Bogdan; Mazur, Liliana

    2016-04-01

    (Benzylthio)acetic acid (Hbta) was synthesized with 78% yield from benzyl chloride and thiourea as substrates. Well-shaped crystals of Hbta were grown by slow solvent evaporation technique from pure methanol. The compound was investigated by single-crystal X-ray and powder diffraction techniques and was also characterized by other analytical methods, like ATR-FTIR, 1H and 13C NMR and TG/DSC. The acid molecule adopts bent conformation in the solid state. The crystal structure of Hbta is stabilized by numerous intermolecular interactions, including O-H···O, C-H···O, C-H···S and C-H···π contacts. Thermal decomposition of the obtained material takes place above 150 °C.

  17. Physico-chemical, spectroscopical and thermal characterization of bio diesel obtained by enzymatic route as a tool to select the most efficient immobilized lipase

    International Nuclear Information System (INIS)

    Silva, G.A.M.; Ros, P.C.M. da; Souza, L.T.A.; Costa, A.P.O.; Castro, H.F. de

    2012-01-01

    Two microbial lipases from Burkholderia cepacia and Pseudomonas fluorescens were evaluated as catalysts for the enzymatic transesterification of beef tallow with ethanol and the most efficient lipase source was selected by taking into account the properties of the product to be used as fuel. Both lipases were immobilized on an epoxy silica-polyvinyl alcohol composite by covalent immobilization and used to perform the reactions under the following operational conditions: beef tallow-to-ethanol molar ratio of 1:9, 45 degree C and 400 units of enzymatic activity per gram of fat. Products, characterized using Fourier Transform Infrared spectroscopy (FTIR), viscosimetry, thermogravimetry and 1 H NMR spectroscopy, suggested that the bio diesel sample obtained in the reaction catalyzed by Burkholderia cepacia lipase has the best set of properties for fuel usage. (author)

  18. Physico-chemical, spectroscopical and thermal characterization of bio diesel obtained by enzymatic route as a tool to select the most efficient immobilized lipase

    Energy Technology Data Exchange (ETDEWEB)

    Silva, G.A.M.; Ros, P.C.M. da; Souza, L.T.A.; Costa, A.P.O.; Castro, H.F. de, E-mail: heizir@dequi.eel.usp.br [Engineering School of Lorena. University of Sao Paulo (EEL/USP), Lorena, SP (Brazil)

    2012-01-15

    Two microbial lipases from Burkholderia cepacia and Pseudomonas fluorescens were evaluated as catalysts for the enzymatic transesterification of beef tallow with ethanol and the most efficient lipase source was selected by taking into account the properties of the product to be used as fuel. Both lipases were immobilized on an epoxy silica-polyvinyl alcohol composite by covalent immobilization and used to perform the reactions under the following operational conditions: beef tallow-to-ethanol molar ratio of 1:9, 45 degree C and 400 units of enzymatic activity per gram of fat. Products, characterized using Fourier Transform Infrared spectroscopy (FTIR), viscosimetry, thermogravimetry and {sup 1}H NMR spectroscopy, suggested that the bio diesel sample obtained in the reaction catalyzed by Burkholderia cepacia lipase has the best set of properties for fuel usage. (author)

  19. Spectroscopic Characterization of Extracellular Polymeric Substances from Escherichia coli and Serratia marcescens: Suppression using Sub-Inhibitory Concentrations of Bismuth Thiols

    Energy Technology Data Exchange (ETDEWEB)

    Badireddy, Appala R.; Korpol, Bhoom Reddy; Chellam, Shankararaman; Gassman, Paul L.; Engelhard, Mark H.; Lea, Alan S.; Rosso, Kevin M.

    2008-10-21

    Free and capsular EPS produced by Escherichia coli and Serratia marcescens were characterized in detail using Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), and Auger electron spectroscopy (AES). Total EPS production decreased upon treatment with sub-inhibitory concentrations of lipophilic bismuth thiols (bismuth dimercaptopropanol, BisBAL; bismuth ethanedithiol, BisEDT; and bismuth pyrithione, BisPYR), BisBAL being most effective. Bismuth thiols also influenced acetylation and carboxylation of polysaccharides in EPS from S. marcescens. Extensive homology between EPS samples in the presence and absence of bismuth was observed with proteins, polysaccharides, and nucleic acids varying predominantly only in the total amount expressed. Second derivative analysis of the amide I region of FTIR spectra revealed decreases in protein secondary structures in the presence of bismuth thiols. Hence, anti-fouling properties of bismuth thiols appear to originate in their ability to suppress O-acetylation and protein secondary structures in addition to total EPS secretion.

  20. Spectroscopic studies, theoretical models and structural characterization. II. Synthesis and X-ray powder diffraction of the elpasolites Cs2NaSmCl6

    International Nuclear Information System (INIS)

    Poblete, V.; Acevedo, R.

    1998-01-01

    In this research work, we report the synthesis and structural characterization of the stoichiometric elpasolite Cs 2 NaSmCl 6 . The synthesis was performed under a solid state reaction in nitrogen atmosphere from the chemicals CsCl, NaCl and SmCl 3 weighted stoichiometrically. The best possible crystallization temperature was obtained using thermal studies of the type DTA/TGA (the thermal treatment was allowed to proceed for 2.5 hours at 755 Centigrade, showing a temperature gradient of 10 Centigrade/minute). The structural characterization by powder X-ray diffraction (XDR) indicates that this elpasolite belongs to the Fm 3m (O h 5 ) space group and the optimized structural parameters are as follows: a 0 = 10.8342 Armstrong, V 1271.72 Armstrong 3 , Z=4, M=651.88, D x =3.406 y D exp=3.41 ± 0.01. The profile refinement, using the Rietveld method, allowed us to fit the experimental and the calculated intensities of a total of 32 lines. The above result indicates that the condition R exp 2+ + 3Cl -1 and the counter ions filling the octahedral holes, in full agreement with anti fluorite type crystal. According to the above description, these elpasolite adopt the form (M 1/3 □ 2/3 ) 4 X 2 , where M labels the central metal, X stand for the chlorine ions and □ represent the vacancies, which may accommodate a significant amount of defects without collapsing. This experimental study provides the necessary input to test theoretical models against experimental data. (Author)

  1. Utility of chromatographic and spectroscopic techniques for a detailed characterization of poly(styrene-b-isoprene) miktoarm star copolymers with complex architecture

    KAUST Repository

    Šmigovec Ljubič, Tina; Rebolj, Katja; Pahovnik, David; Hadjichristidis, Nikolaos; Žigon, Majda; Žagar, Ema

    2012-01-01

    We analyzed various miktoarm star copolymers of the PS(PI) x type (x = 2, 3, 5, 7), which consist of one long polystyrene (PS) arm (82 or 105 kDa) and various numbers of short polyisoprene (PI) arms (from 11.3 to 39.7 kDa), prepared by anionic polymerization and selective chlorosilane chemistry. The length of the PI arm in stars decreases with the number of arms, so that the chemical compositions of all PS(PI) x samples were comparable. Our aim was to determine the purity of samples and to identify exactly the constituents of individual samples. For this purpose we used a variety of separation techniques (size-exclusion chromatography (SEC), reversed-phase liquid-adsorption chromatography (RP-LAC), and two-dimensional liquid chromatography (2D-LC)) and characterization techniques (UV-MALS-RI multidetection SEC system, NMR, and MALDI-TOF MS). The best separation and identification of the samples' constituents were achieved by RP-LAC, which separates macromolecules according to their chemical composition, and a subsequent analysis of the off-line collected fractions from the RP-C18 column by SEC/UV-MALS-RI multidetection system. The results showed that all PS(PI) x samples contained the homo-PS and homo-PI in minor amounts and the high-molar-mass (PS) y(PI) z (y > 1) species, the content of which is higher in the samples PS(PI) 5 and PS(PI) 7 than in the samples PS(PI) 2 and PS(PI) 3. The major constituent of the PS(PI) 2 sample was the one with the predicted structure. On the other hand, the major components of the PS(PI) x (x = 3, 5, and 7) samples were the stars consisting of a smaller number of PI arms than predicted from the functionalities of chlorosilane coupling agents. These results are in agreement with the average chemical composition of samples determined by proton NMR spectroscopy and characterization of the constituents by MALDI-TOF MS. © 2012 American Chemical Society.

  2. Utility of chromatographic and spectroscopic techniques for a detailed characterization of poly(styrene-b-isoprene) miktoarm star copolymers with complex architecture

    KAUST Repository

    Šmigovec Ljubič, Tina

    2012-09-25

    We analyzed various miktoarm star copolymers of the PS(PI) x type (x = 2, 3, 5, 7), which consist of one long polystyrene (PS) arm (82 or 105 kDa) and various numbers of short polyisoprene (PI) arms (from 11.3 to 39.7 kDa), prepared by anionic polymerization and selective chlorosilane chemistry. The length of the PI arm in stars decreases with the number of arms, so that the chemical compositions of all PS(PI) x samples were comparable. Our aim was to determine the purity of samples and to identify exactly the constituents of individual samples. For this purpose we used a variety of separation techniques (size-exclusion chromatography (SEC), reversed-phase liquid-adsorption chromatography (RP-LAC), and two-dimensional liquid chromatography (2D-LC)) and characterization techniques (UV-MALS-RI multidetection SEC system, NMR, and MALDI-TOF MS). The best separation and identification of the samples\\' constituents were achieved by RP-LAC, which separates macromolecules according to their chemical composition, and a subsequent analysis of the off-line collected fractions from the RP-C18 column by SEC/UV-MALS-RI multidetection system. The results showed that all PS(PI) x samples contained the homo-PS and homo-PI in minor amounts and the high-molar-mass (PS) y(PI) z (y > 1) species, the content of which is higher in the samples PS(PI) 5 and PS(PI) 7 than in the samples PS(PI) 2 and PS(PI) 3. The major constituent of the PS(PI) 2 sample was the one with the predicted structure. On the other hand, the major components of the PS(PI) x (x = 3, 5, and 7) samples were the stars consisting of a smaller number of PI arms than predicted from the functionalities of chlorosilane coupling agents. These results are in agreement with the average chemical composition of samples determined by proton NMR spectroscopy and characterization of the constituents by MALDI-TOF MS. © 2012 American Chemical Society.

  3. Clays as green catalysts in the cholesterol esterification: spectroscopic characterization and polymorphs identification by thermal analysis methods. An interdisciplinary laboratorial proposal for the undergraduate level; Argilas como catalisadores verdes na esterificacao do colesterol: caracterizacao espectroscopica e identificacao de polimorfos por metodos de analise termica. Uma proposta laboratorial interdisciplinar para o primeiro ciclo universitario

    Energy Technology Data Exchange (ETDEWEB)

    Maria, Teresa M R.; Nunes, Rui M. D.; Pereira, Mariette M.; Eusebio, M. Ermelinda S. [Universidade de Coimbra, Coimbra (Portugal). Dept. de Quimica], e-mail: troseiro@ci.uc.pt

    2009-07-01

    A laboratory experiment that enables the professor to introduce the problematic of sustainable development in pharmaceutical chemistry to undergraduate students is proposed, using a simple synthetic procedure. Cholesteryl acetate is prepared by the esterification of cholesterol using Montmorillonite K10 as heterogeneous catalyst. Cholesterol and cholesteryl acetate are characterized by spectroscopic ({sup 1}H RMN, {sup 13}C RMN, FTIR) and thermal analysis techniques. The thermal methods are used to introduce the concepts of polymorphism and the nature of mesophases. (author)

  4. Synthesis, spectroscopic characterization, solid state d.c. electrical conductivity and biological studies of some lanthanide(III chloride complexes with a heterocyclic Schiff base ligand

    Directory of Open Access Journals (Sweden)

    K. Mohanan

    2016-07-01

    Full Text Available Condensation of 2-hydroxy-1-naphthaldehyde with 2-amino-3-carboxyethyl-4,5-dimethylthiophene in 1:1 molar ratio, yielded a potentially tridentate Schiff base viz. 2-[N-(2′-hydroxy-1-naphthylideneamino]-3-carboxyethyl-4,5-dimethylthiophene (HNAT. This ligand formed complexes with lanthanum(III, cerium(III, praseodymium(III, neodymium(III, samarium(III, europium(III and gadolinium(III chloride under well defined conditions. These complexes were characterized through elemental analysis, molar conductance, magnetic moment measurements, IR, UV–Vis, FAB mass and 1H NMR spectral studies. Analytical data showed that all the metal complexes exhibited 1:1 metal–ligand ratio. Molar conductance values adequately confirmed the non-electrolytic nature of the metal complexes. The proton NMR spectral observations supplement the IR spectral assignments. The spectral data revealed that the ligand acted as neutral tridentate, coordinating to the metal ion through azomethine nitrogen, ester carbonyl and naphtholate oxygen without deprotonation. The ligand and its lanthanum(III chloride complex were subjected to XRD studies. The lanthanum(III chloride complex has undergone a facile transesterification reaction. The solid state d.c. electrical conductivity of some selected complexes were measured as a function of temperature, indicating the semiconducting nature of the metal complexes. The antimicrobial activities were examined by disk diffusion method against some pathogenic bacterial and fungal species.

  5. Synthesis, characterization, spectroscopic and theoretical studies of new zinc(II), copper(II) and nickel(II) complexes based on imine ligand containing 2-aminothiophenol moiety

    Science.gov (United States)

    Shafaatian, Bita; Mousavi, S. Sedighe; Afshari, Sadegh

    2016-11-01

    New dimer complexes of zinc(II), copper(II) and nickel(II) were synthesized using the Schiff base ligand which was formed by the condensation of 2-aminothiophenol and 2-hydroxy-5-methyl benzaldehyde. This tridentate Schiff base ligand was coordinated to the metal ions through the NSO donor atoms. In order to prevent the oxidation of the thiole group during the formation of Schiff base and its complexes, all of the reactions were carried out under an inert atmosphere of argon. The X-ray structure of the Schiff base ligand showed that in the crystalline form the SH groups were oxidized to produce a disulfide Schiff base as a new double Schiff base ligand. The molar conductivity values of the complexes in dichloromethane implied the presence of non-electrolyte species. The fluorescence properties of the Schiff base ligand and its complexes were also studied in dichloromethane. The products were characterized by FT-IR, 1H NMR, UV/Vis spectroscopies, elemental analysis, and conductometry. The crystal structure of the double Schiff base was determined by single crystal X-ray diffraction. Furthermore, the density functional theory (DFT) calculations were performed at the B3LYP/6-31G(d,p) level of theory for the determination of the optimized structures of Schiff base complexes.

  6. Synthesis, spectroscopic characterization and structural studies of a new proton transfer (H-bonded) complex of o-phenylenediamine with L-tartaric acid

    Science.gov (United States)

    Khan, Ishaat M.; Ahmad, Afaq

    2013-10-01

    A proton transfer or H-bonded (CT) complex of o-phenylenediamine (OPD) as donor with L-tartaric acid (TART) as acceptor was synthesized and characterized by spectral techniques such as FTIR, 1H NMR, elemental analysis, TGA-TDA, X-ray crystallography and spectrophotometric studies. The structural investigations exhibit that the cation [OPD+] and anion [TART-] are linked together through strong N+-H⋯O- type hydrogen bonds due to transfer of proton from acceptor to donor. Formed H-bonded complex exhibits well resolved proton transfer bands in the regions where neither donor nor acceptor has any absorption. The stoichiometry of the H-bonded complex (HBC) was found to be 1:1, determined by straight line methods. Spectrophotometric studies have been performed at room temperature and Benesi-Hildebrand equation was used to determine formation constant (KCT), molar extinction coefficient (ɛCT) and also transition energy (ECT) of the H-bonded complex. Spectrophotomeric and crystallographic studies have ascertained the formation of 1:1 H-bonded complex. Thermal analysis (TGA-DTA) was also used to confirm the thermal fragmentation and the stability of the synthesized H-bonded complex.

  7. Crystal structure, Hirshfeld surface analysis, quantum mechanical study and spectroscopic characterization of the non-centrosymmetric coordination compound bis(4-fluoroaniline)dichloridozincate

    Science.gov (United States)

    Ben Nasr, M.; Soudani, S.; Lefebvre, F.; Jelsch, C.; Ben Nasr, C.

    2017-06-01

    The Zn(II) complex with the monodentate ligand 4-fluoroaniline, ZnCl2(C6H4FNH2)2, has been prepared and characterized by single crystal X-ray diffraction, solid state nuclear magnetic resonance, infrared spectroscopy and differential scanning calorimetry. The Zn(II) ion is tetracoordinated by two nitrogen atoms of two monodentate 4-fluoroaniline ligands and two chlorine atoms. In the molecular arrangement, the ZnCl2(C6H4FNH2)2 entities are interconnected via Nsbnd H⋯Cl hydrogen bonds to form layers parallel to the (a, b) plane. The nature and proportion of contacts in the crystal packing were investigated through the Hirshfeld surfaces. The crystal is mainly maintained by electrostatic attractions Cl- … Hsbnd N and by extensive hydrophobic contacts as revealed by the Hirshfeld 2D fingerprint plots and statistical analysis. The13C and 19F CP-MAS NMR spectra are in agreement with the X-ray structure and confirm the phase purity of the crystalline sample. The vibrational absorption bands were identified by infrared spectroscopy. A calorimetric study shows that the title compound is stable until 262.5 °C.

  8. New transition metal complexes of 2,4-dihydroxybenzaldehyde benzoylhydrazone Schiff base (H2dhbh): Synthesis, spectroscopic characterization, DNA binding/cleavage and antioxidant activity

    Science.gov (United States)

    Aboafia, Seyada A.; Elsayed, Shadia A.; El-Sayed, Ahmed K. A.; El-Hendawy, Ahmed M.

    2018-04-01

    New complexes [VO2(Hdhbh)] (1), [VO(phen)(dhbh)].1.5H2O (2), [Zn(Hdhbh)2] (3), [MoO2(dhbh)(D)] (D = H2O (4) or MeOH (5)), [Ru(PPh3)(dhbh)Cl(H2O)] (6), and [Pd(Hdhbh)Cl]·H2O (7) (H2dhbh = Schiff base derived from 2,4-dihydroxybenzaldehyde and benzoylhydrazone) have been isolated and characterized by IR, 1H NMR, Mass, UV-Visible and ESR spectroscopy. They were also investigated by cyclic voltammetry, thermal and magnetic measurements and the structure of complex cis-[MoO2(dhbh)(H2O)] (4) was solved by X-ray crystallography. Analytical data showed that H2dhbh behaves as monobasic/or dibasic tridentate ligand via phenolate O, azomethine N and amide O/or deprotonated amide O atoms. Antioxidant activity of the complexes has been evaluated against DPPH (2,2-diphenyl-1-picrylhydrazyl) radical and it has been found that oxovandium (IV) complex (2) displays the highest radical scavenging potency comparable to ascorbic acid as a standard antioxidant. The DNA binding properties of the ligand and its complexes have been investigated by electronic spectroscopy together with DNA cleavage by gel electrophoresis whose results showed also that vanadium (IV) complex (2) has a significant oxidative cleavage among other complexes.

  9. Recent Advances in IR and UV/VIS Spectroscopic Characterization of the C76 and C84 Isomers of D2 Symmetry

    Directory of Open Access Journals (Sweden)

    Tamara Jovanović

    2014-01-01

    Full Text Available The stable isomers of the higher fullerenes C76 and C84 with D2 symmetry as well as the basic fullerenes C60 and C70 were isolated from carbon soot and characterized by the new and advanced methods, techniques, and processes. The validity of several semiempirical, ab initio, and DFT theoretical calculations in predicting the general pattern of IR absorption and the vibrational frequencies, as well as the molecular electronic structure of the C76 and C84 isomers of D2 symmetry, is confirmed, based on recent experimental results. An excellent correlation was found between the previously reported theoretical data and the recently obtained experimental results for these molecules over the relevant spectral range for the identification of fullerenes. These results indicate that there are no errors in the calculations in the significant spectral regions, the assumptions that were based on previous comparisons with partial experimental results. Isolated fullerenes are important for their applications in electronic and optical devices, solar cells, optical limiting, sensors, polymers, nanophotonic materials, diagnostic and therapeutic agents, health and environment protection, and so forth.

  10. Characterizing the binding interaction of fungicide boscalid with bovine serum albumin (BSA): A spectroscopic study in combination with molecular docking approach.

    Science.gov (United States)

    Lou, Yan-Yue; Zhou, Kai-Li; Shi, Jie-Hua; Pan, Dong-Qi

    2017-08-01

    Boscalid, a carboxamide fungicide, is used in the treatment of grey mould and powdery mildew, widely applied to a variety of crops and fruits such as rice, wheat, grapes and pears. It will become a potential risk for health due to its widely application and residue in crops and fruits. In this study, the binding interaction between boscalid and bovine serum albumin (BSA) was characterized using steady-state fluorescence spectroscopy, ultraviolet spectroscopy (UV), synchronous fluorescence spectroscopy, 3D fluorescence spectroscopy, Fourier transform infrared spectroscopy (FT-IR) and molecular docking to ascertain the store, transport and distribution of boscalid in vivo. The experimental results indicated that the fluorescence of BSA was quenched due to the forming the static boscalid-BSA complex with the binding constant of 4.57×10 3 M -1 at 298 K and boscalid bound on the subdomain III A (site II) of BSA through van der Waals force and hydrogen bonding interaction. The binding process of boscalid with BSA was spontaneous and enthalpy-driven process based on ΔG 0 T|ΔS 0 | over the studied temperature range. Meanwhile, the obvious change in the conformation of boscalid was observed while the slight change in the conformation of BSA when binding boscalid to the BSA, implying that the flexibility of boscalid contributes to increasing the stability of the boscalid-BSA complex. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Immobilization of bacterial S-layer proteins from Caulobacter crescentus on iron oxide-based nanocomposite: synthesis and spectroscopic characterization of zincite-coated Fe₂O₃ nanoparticles.

    Science.gov (United States)

    Habibi, Neda

    2014-05-05

    Zinc oxide was coated on Fe2O3 nanoparticles using sol-gel spin-coating. Caulobacter crescentus have a crystalline surface layer (S-layer), which consist of one protein or glycoprotein species. The immobilization of bacterial S-layers obtained from C. crescentus on zincite-coated nanoparticles of iron oxide was investigated. The SDS PAGE results of S-layers isolated from C. crescentus showed the weight of 50 KDa. Nanoparticles of the Fe2O3 and zinc oxide were synthesized by a sol-gel technique. Fe2O3 nanoparticles with an average size of 50 nm were successfully prepared by the proper deposition of zinc oxide onto iron oxide nanoparticles surface annealed at 450 °C. The samples were characterized by field-emission scanning electron microscope (FESEM), atomic force microscopy (AFM), powder X-ray diffraction (XRD) and Fourier-transform infrared spectroscopy (FT-IR). Copyright © 2014 Elsevier B.V. All rights reserved.

  12. Synthesis, X-ray crystallography characterization, vibrational spectroscopic, molecular electrostatic potential maps, thermodynamic properties studies of N,N'-di(p-thiazole)formamidine.

    Science.gov (United States)

    Rofouei, M K; Fereyduni, E; Sohrabi, N; Shamsipur, M; Attar Gharamaleki, J; Sundaraganesan, N

    2011-01-01

    In this work, we will report a combined experimental and theoretical study on molecular and vibrational structure of N,N'-di(p-thiazole)formamidine (DpTF). DpTF has been synthesized and characterized by elemental analysis, FT-IR, FT-Raman, 1H NMR, 13C NMR spectroscopy and X-ray single crystal diffraction. The FT-IR and FT-Raman spectra of DpTF were recorded in the solid phase. The optimized geometry was calculated by HF and B3LYP methods using 6-31G(d) basis set. The FT-IR and FT-Raman spectra of DpTF was calculated at the HF/B3LYP/6-31G(d) level and were interpreted in terms of potential energy distribution (PED) analysis. The scaled theoretical wavenumber showed very good agreement with the experimental values. A detailed interpretation of the infrared and Raman spectra of DpTF was reported. On the basis of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between Cp,m°, Sm°, Hm° and temperatures. Furthermore, molecular electrostatic potential maps (MESP) and total dipole moment properties of the compound have been calculated. Copyright © 2010 Elsevier B.V. All rights reserved.

  13. Synthesis and spectroscopic characterization of some lanthanide(III nitrate complexes of ethyl 2-[2-(1-acetyl-2-oxopropylazo]-4,5-dimethyl-3-thiophenecarboxyate

    Directory of Open Access Journals (Sweden)

    CHEMPAKAM JANARDHANAN ATHIRA

    2011-02-01

    Full Text Available Ethyl 2-[2-(1-acetyl-2-oxopropylazo]-4,5-dimethyl-3-thiophenecarboxyate was synthesized by coupling diazotized ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate with acetylacetone. Based on various spectral studies and elemental analysis, an intramolecularly hydrogen-bonded azo-enol structural form was assigned for the ligand. This ligand is versatile in forming a series of lanthanide(III complexes, viz., lanthanum(III, cerium(III, praseodymium(III, neodymium(III, samarium(III and gadolinium(III, which were characterized through various spectral studies, elemental analysis, magnetic susceptibility measurements, molar conductance and thermal analysis. The spectral data revealed that the ligand acted as a neutral tridentate, coordinating to the metal ion through one of the azo nitrogen atoms, the ester carbonyl and the enolic oxygen of the acetylacetone moiety, without deprotonation. Molar conductance values adequately supported their non-electrolytic nature. The ligand and lanthanum(III complex were subjected to X-ray diffraction studies. In addition, the lanthanum(III complex underwent a facile transesterification reaction on refluxing with methanol for a long period. The thermal behaviour of the lanthanum(III complex was also examined

  14. Vacuum-ultraviolet ellipsometry spectra and structural properties of Pb(Zr,Ti)O.sub.3./sub. films

    Czech Academy of Sciences Publication Activity Database

    Suchaneck, G.; Chvostová, Dagmar; Kousal, J.; Železný, Vladimír; Lynnyková, Anna; Jastrabík, Lubomír; Gerlach, G.; Dejneka, Alexandr

    2011-01-01

    Roč. 519, č. 9 (2011), s. 2885-2888 ISSN 0040-6090 R&D Projects: GA ČR GC202/09/J017; GA AV ČR KAN301370701; GA MŠk(CZ) 1M06002; GA ČR GA202/08/1009 Institutional research plan: CEZ:AV0Z10100522 Keywords : PZT film * vacuum-ultraviolet ellipsometry * film structure * optical properties Subject RIV: BH - Optics, Masers, Lasers Impact factor: 1.890, year: 2011

  15. Syntheses, structural characterization and spectroscopic studies of cadmium(II)-metal(II) cyanide complexes with 4-(2-aminoethyl)pyridine

    Science.gov (United States)

    Karaağaç, Dursun; Kürkçüoğlu, Güneş Süheyla; Şenyel, Mustafa; Hökelek, Tuncer

    2017-02-01

    Three new cadmium(II)-metal(II) cyanide complexes, [Cd(4aepy)2(H2O)2][Ni(CN)4] (1), [Cd(4aepy)2(H2O)2][Pd(CN)4] (2) and [Cd(4aepy)2(H2O)2][Pt(CN)4] (3) [4aepy = 4-(2-aminoethyl)pyridine], have been synthesized and characterized by elemental, thermal, FT-IR and Raman spectral analyses. The crystal structures of 1 and 2 have been determined by single crystal X-ray diffraction technique, in which they crystallize in the monoclinic system and C2/c space group. The M(II) [M(II) = Ni(II), Pd(II) and Pt(II)] ions are coordinated with the carbon atoms of the four cyanide groups in the square planar geometries and the [M(CN)4]2- ions act as counter ions. The Cd(II) ions display an N4O2 coordination sphere with a distorted octahedral geometry, the nitrogen donors belonging to four molecules of the organic 4aepy that act as unidentate ligands and two oxygen atoms from aqua ligands. 3D supramolecular structures of 1 and 2 were occurred by M⋯π and hydrogen bonding (Nsbnd H⋯N and Osbnd H⋯N) interactions. Vibrational assignments of all the observed bands were given and the spectral properties were also supported the crystal structures of the complexes. A possible decompositions of the complexes were investigated in the temperature range 30-800 °C in the static atmosphere.

  16. Synthesis, spectroscopic and thermal characterization of sulpiride complexes of iron, manganese, copper, cobalt, nickel, and zinc salts. Antibacterial and antifungal activity

    Science.gov (United States)

    Mohamed, Gehad G.; Soliman, Madiha H.

    2010-08-01

    Sulpiride (SPR; L) is a substituted benzamide antipsychotic which is reported to be a selective antagonist of central dopamine receptors and claimed to have mood-elevating properties. The ligation behaviour of SPR drug is studied in order to give an idea about its potentiality towards some transition metals in vitro systems. Metal complexes of SPR have been synthesized by reaction with different metal chlorides. The metal complexes of SPR with the formula [MCl 2(L) 2(H 2O) 2]· nH 2O [M = Mn(II), Co(II), Ni(II), Cu(II) and Zn(II); n = 0-2] and [FeCl 2(HL)(H 2O) 3]Cl·H 2O have been synthesized and characterized using elemental analysis (CHN), electronic (infrared, solid reflectance and 1H NMR spectra) and thermal analyses (TG and DTA). The molar conductance data reveal that the bivalent metal chelates are non-electrolytes while Fe(III) complex is 1:1 electrolyte. IR spectra show that SPR is coordinated to the metal ions in a neutral monodentate manner with the amide O. From the magnetic and solid reflectance spectra, octahedral geometry is suggested. The thermal decomposition processes of these complexes were discussed. The correlation coefficient, the activation energies, E*, the pre-exponential factor, A, and the entropies, Δ S*, enthalpies, Δ H*, Gibbs free energies, Δ G*, of the thermal decomposition reactions have been derived from thermogravimetric (TG) and differential thermogravimetric (DTG) curves. The synthesized ligand and its metal complexes were also screened for their antibacterial and antifungal activity against bacterial species ( Escherichia coli and Staphylococcus aureus) and fungi ( Aspergillus flavus and Candida albicans). The activity data show that the metal complexes are found to have antibacterial and antifungal activity than the parent drug and less than the standard.

  17. Osmium(III) analogues of KP1019: Electrochemical and chemical synthesis, spectroscopic characterization, x-ray crystallography, hydrolytic stability, and antiproliferative activity

    KAUST Repository

    Kuhn, Paul-Steffen

    2014-10-20

    A one-electron reduction of osmium(IV) complexes trans-[OsIVCl4(Hazole)2], where Hazole = 1H-pyrazole ([1]0), 2H-indazole ([2]0), 1H-imidazole ([3]0), and 1H-benzimidazole ([4]0), afforded a series of eight new complexes as osmium analogues of KP1019, a lead anticancer drug in clinical trials, with the general formula (cation)[trans-OsIIICl4(Hazole)2], where cation = H2pz+ (H2pz[1]), H2ind+ (H2ind[2]), H2im+ (H2im[3]), Ph4P+ (Ph4P[3]), nBu4N+ (nBu4N[3]), H2bzim+ (H2bzim[4]), Ph4P+ (Ph4P[4]), and nBu4N+ (nBu4N[4]). All complexes were characterized by elemental analysis, 1H NMR spectroscopy, electrospray ionization mass spectrometry, UV-vis spectroscopy, cyclic voltammetry, while H2pz[1], H2ind[2], and nBu4[3], in addition, by X-ray diffraction. The reduced species [1]- and [4]- are stable in aqueous media in the absence of air oxygen and do not react with small biomolecules such as amino acids and the nucleotide 5′-dGMP. Cell culture experiments in five different human cancer cell lines (HeLa, A549, FemX, MDA-MB-453, and LS-174) and one noncancerous cell line (MRC-5) were performed, and the results were discussed and compared to those for KP1019 and cisplatin. Benzannulation in complexes with similar structure enhances antitumor activity by several orders of magnitude, implicating different mechanisms of action of the tested compounds. In particular, complexes H2ind[2] and H2bzim[4] exhibited significant antiproliferative activity in vitro when compared to H2pz[1] and H2im[3]. (Chemical Equation Presented).

  18. Synthesis, spectroscopic characterization, electrochemistry and biological evaluation of some metal (II) complexes with ONO donor ligand containing benzo[b]thiophene and coumarin moieties

    Science.gov (United States)

    Mahendra Raj, K.; Mruthyunjayaswamy, B. H. M.

    2014-09-01

    Schiff base ligand 3-chloro-N‧-((7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methylene)benzo[b]thiophene-2-carbohydrazide and its Cu(II), Co(II), Ni(II) and Zn(II) complexes were synthesized, characterized by elemental analysis and various physico-chemical techniques like, IR, 1H NMR, ESI-mass, UV-Visible, thermogravimetry - differential thermal analysis, magnetic measurements and molar conductance. Spectral analysis indicates octahedral geometry for all the complexes. Cu(II) complex have 1:1 stoichiometry of the type [M(L)(Cl)(H2O)2], whereas Co(II), Ni(II) and Zn(II) complexes have 1:2 stoichiometric ratio of the type [M(L)2]. The bonding sites are the oxygen atom of amide carbonyl, nitrogen of azomethine function and phenolic oxygen of the Schiff base ligand via deprotonation. The thermogravimetry - differential thermal analysis studies gave evidence for the presence of coordinated water molecules in the composition of Cu(II) complex which was further supported by IR measurements. All the complexes were investigated for their electrochemical activity, but only the Cu(II) complex showed the redox property. In order to evaluate the effect of antimicrobial potency of metal ions upon chelation, ligand and its metal complexes along with their respective metal chlorides were screened for their antibacterial and antifungal activities by minimum inhibitory concentration (MIC) method. The results showed that the metal complexes were found to be more active than free ligand. Ligand and its complexes were screened for free radical scavenging activity by DPPH method and DNA cleavage activity using Calf-thymus DNA (Cat. No-105850).

  19. Osmium(III) analogues of KP1019: electrochemical and chemical synthesis, spectroscopic characterization, X-ray crystallography, hydrolytic stability, and antiproliferative activity.

    Science.gov (United States)

    Kuhn, Paul-Steffen; Büchel, Gabriel E; Jovanović, Katarina K; Filipović, Lana; Radulović, Siniša; Rapta, Peter; Arion, Vladimir B

    2014-10-20

    A one-electron reduction of osmium(IV) complexes trans-[Os(IV)Cl4(Hazole)2], where Hazole = 1H-pyrazole ([1](0)), 2H-indazole ([2](0)), 1H-imidazole ([3](0)), and 1H-benzimidazole ([4](0)), afforded a series of eight new complexes as osmium analogues of KP1019, a lead anticancer drug in clinical trials, with the general formula (cation)[trans-Os(III)Cl4(Hazole)2], where cation = H2pz(+) (H2pz[1]), H2ind(+) (H2ind[2]), H2im(+) (H2im[3]), Ph4P(+) (Ph4P[3]), nBu4N(+) (nBu4N[3]), H2bzim(+) (H2bzim[4]), Ph4P(+) (Ph4P[4]), and nBu4N(+) (nBu4N[4]). All complexes were characterized by elemental analysis, (1)H NMR spectroscopy, electrospray ionization mass spectrometry, UV-vis spectroscopy, cyclic voltammetry, while H2pz[1], H2ind[2], and nBu4[3], in addition, by X-ray diffraction. The reduced species [1](-) and [4](-) are stable in aqueous media in the absence of air oxygen and do not react with small biomolecules such as amino acids and the nucleotide 5'-dGMP. Cell culture experiments in five different human cancer cell lines (HeLa, A549, FemX, MDA-MB-453, and LS-174) and one noncancerous cell line (MRC-5) were performed, and the results were discussed and compared to those for KP1019 and cisplatin. Benzannulation in complexes with similar structure enhances antitumor activity by several orders of magnitude, implicating different mechanisms of action of the tested compounds. In particular, complexes H2ind[2] and H2bzim[4] exhibited significant antiproliferative activity in vitro when compared to H2pz[1] and H2im[3].

  20. Osmium(III) analogues of KP1019: Electrochemical and chemical synthesis, spectroscopic characterization, x-ray crystallography, hydrolytic stability, and antiproliferative activity

    KAUST Repository

    Kuhn, Paul-Steffen; Bü chel, Gabriel E.; Jovanović, Katarina K.; Filipović, Lana; Radulović, Siniša S.; Rapta, Peter; Arion, Vladimir B.

    2014-01-01

    A one-electron reduction of osmium(IV) complexes trans-[OsIVCl4(Hazole)2], where Hazole = 1H-pyrazole ([1]0), 2H-indazole ([2]0), 1H-imidazole ([3]0), and 1H-benzimidazole ([4]0), afforded a series of eight new complexes as osmium analogues of KP1019, a lead anticancer drug in clinical trials, with the general formula (cation)[trans-OsIIICl4(Hazole)2], where cation = H2pz+ (H2pz[1]), H2ind+ (H2ind[2]), H2im+ (H2im[3]), Ph4P+ (Ph4P[3]), nBu4N+ (nBu4N[3]), H2bzim+ (H2bzim[4]), Ph4P+ (Ph4P[4]), and nBu4N+ (nBu4N[4]). All complexes were characterized by elemental analysis, 1H NMR spectroscopy, electrospray ionization mass spectrometry, UV-vis spectroscopy, cyclic voltammetry, while H2pz[1], H2ind[2], and nBu4[3], in addition, by X-ray diffraction. The reduced species [1]- and [4]- are stable in aqueous media in the absence of air oxygen and do not react with small biomolecules such as amino acids and the nucleotide 5′-dGMP. Cell culture experiments in five different human cancer cell lines (HeLa, A549, FemX, MDA-MB-453, and LS-174) and one noncancerous cell line (MRC-5) were performed, and the results were discussed and compared to those for KP1019 and cisplatin. Benzannulation in complexes with similar structure enhances antitumor activity by several orders of magnitude, implicating different mechanisms of action of the tested compounds. In particular, complexes H2ind[2] and H2bzim[4] exhibited significant antiproliferative activity in vitro when compared to H2pz[1] and H2im[3]. (Chemical Equation Presented).

  1. Synthesis, spectroscopic characterization and in vitro cytotoxicities of new organometallic palladium complexes with biologically active β-diketones; Biological evaluation probing of the interaction mechanism with DNA/Protein and molecular docking

    Science.gov (United States)

    Karami, Kazem; Rafiee, Mina; Lighvan, Zohreh Mehri; Zakariazadeh, Mostafa; Faal, Ali Yeganeh; Esmaeili, Seyed-Alireza; Momtazi-Borojeni, Amir Abbas

    2018-02-01

    [Pd{(C,N)sbnd C6H4CH (CH3)NH}(CUR)] (3) and [Pd2{(C,N)sbnd C6H4CH(CH3)NH2}2(μ-N3CS2)] (4) [cur = 1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dion] novel organometallic complexes with biologically active ligands have been prepared and characterized via elemental analysis, multinuclear spectroscopic techniques (1H, and 13C NMR and IR) and their biological activities, including antitumoral activity and DNA-protein interactions have been investigated. Fluorescence spectroscopy used to study the interaction of the complexes with BSA have shown the affinity of the complexes for these proteins with relatively high binding constant values and the changed secondary structure of BSA in the presence of the complexes. In the meantime, spectroscopy and competitive titration have been applied to investigate the interaction of complexes with Warfarin and Ibuprofen site markers for sites I and II, respectively, with BSA. The results have suggested that the locations of complexes 3 and 4 are sites II and I, respectively. UV-Vis spectroscopy, emission titration and helix melting methods have been used to study the interaction of these complexes with CT-DNA, indicating that complexes are bound to CT-DNA by intercalation binding mode. In addition, good cytotoxic activity against MCF-7 (human breast cancer) and JURKAT (human leukemia) cell line has been shown by both complexes whereas low cytotoxicity was exerted on normal peripheral blood mononuclear cells.

  2. Temperature dependent optical characterization of Ni-TiO2 thin films as potential photocatalytic material

    Science.gov (United States)

    De, Rajnarayan; Haque, S. Maidul; Tripathi, S.; Rao, K. Divakar; Singh, Ranveer; Som, T.; Sahoo, N. K.

    2017-09-01

    Along with other transition metal doped titanium dioxide materials, Ni-TiO2 is considered to be one of the most efficient materials for catalytic applications due to its suitable energy band positions in the electronic structure. The present manuscript explores the possibility of improving the photocatalytic activity of RF magnetron sputtered Ni-TiO2 films upon heat treatment. Optical, structural and morphological and photocatalytic properties of the films have been investigated in detail for as deposited and heat treated samples. Evolution of refractive index (RI) and total film thickness as estimated from spectroscopic ellipsometry characterization are found to be in agreement with the trend in density and total film thickness estimated from grazing incidence X-ray reflectivity measurement. Interestingly, the evolution of these macroscopic properties were found to be correlated with the corresponding microstructural modifications realized in terms of anatase to rutile phase transformation and appearance of a secondary phase namely NiTiO3 at high temperature. Corresponding morphological properties of the films were also found to be temperature dependent which leads to modifications in the grain structure. An appreciable reduction of optical band gap from 2.9 to 2.5 eV of Ni-TiO2 thin films was also observed as a result of post deposition heat treatment. Testing of photocatalytic activity of the films performed under UV illumination demonstrates heat treatment under atmospheric ambience to be an effective means to enhance the photocatalytic efficiency of transition metal doped titania samples.

  3. Spectroscopic diagnostics of industrial plasmas

    International Nuclear Information System (INIS)

    Joshi, N.K.

    2004-01-01

    Plasmas play key role in modern industry and are being used for processing micro electronic circuits to the destruction of toxic waste. Characterization of industrial plasmas which includes both 'thermal plasmas' and non-equilibrium plasmas or 'cold plasmas' in industrial environment offers quite a challenge. Numerous diagnostic techniques have been developed for the measurement of these partially ionized plasma and/or particulate parameters. The 'simple' non-invasive spectroscopic methods for characterization of industrial plasmas will be discussed in detail in this paper. The excitation temperature in thermal (DC/RF) plasma jets has been determined using atomic Boltzmann technique. The central axis temperature of thermal plasma jets in a spray torch can be determined using modified atomic Boltzmann technique with out using Abel inversion. The Stark broadening of H β and Ar-I (430 nm) lines have been used to determine the electron number density in thermal plasma jets. In low-pressure non-equilibrium argon plasma, electron temperature has been measured using the Corona model from the ratio of line intensities of atomic and ionic transitions. (author)

  4. Spectroscopic follow up of Kepler planet candidates

    DEFF Research Database (Denmark)

    Latham..[], D. W.; Cochran, W. D.; Marcy, G.W.

    2010-01-01

    Spectroscopic follow-up observations play a crucial role in the confirmation and characterization of transiting planet candidates identified by Kepler. The most challenging part of this work is the determination of radial velocities with a precision approaching 1 m/s in order to derive masses from...... spectroscopic orbits. The most precious resource for this work is HIRES on Keck I, to be joined by HARPS-North on the William Herschel Telescope when that new spectrometer comes on line in two years. Because a large fraction of the planet candidates are in fact stellar systems involving eclipsing stars...... and not planets, our strategy is to start with reconnaissance spectroscopy using smaller telescopes, to sort out and reject as many of the false positives as possible before going to Keck. During the first Kepler observing season in 2009, more than 100 nights of telescope time were allocated for this work, using...

  5. Preliminary spectroscopic characterization of PEGylated mucin, a ...

    African Journals Online (AJOL)

    Frank

    2013-11-20

    Nov 20, 2013 ... Drug delivery can be of importance for both new chemical entities as well as ... on account of their stability or their absorption from the. GIT thus leading to ... 1991). To reduce the impact of digestive enzymes and ensure the ...

  6. Synthesis, crystal structures, spectroscopic characterization and in ...

    Indian Academy of Sciences (India)

    cDepartment of Biotechnology, School of Bio-Sciences and Technology, VIT University, Vellore,. Tamil Nadu .... M. The lower molar conductivity values of 3 and 3.5. −1 cm2mol. −1 ..... the tolerance of pancreatic β-cells against oxida- tive stress ...

  7. Synthesis, spectroscopic characterization and biological activities of ...

    African Journals Online (AJOL)

    The elemental and spectral analysis show that ligand coordinate to the central lanthanide(III)ion by its imine nitrogen, phenolic oxygen and carboxylic oxygen in 1:1 stoichemetry. The complexes were found to be electrolytic in nature on basis of ...

  8. Characterization of chemically deposited low-cost 2-6 thin films solar cells : modifying effects with catalytic silicotungstic acid (STA)

    Energy Technology Data Exchange (ETDEWEB)

    Petuenju, E.N.; Savadogo, O. [Ecole Polytechnique de Montreal, Montreal, PQ (Canada). Laboratoire de nouveaux materiaux pour l' energie et l' electrochimie

    2008-07-01

    This paper described some properties of cadmium sulphide (CdS) thin films that were chemically deposited on a silicon wafer for solar cell and optoelectronic applications. The as-deposited films were thermally annealed and characterized through structural, electrical, optical, and spectroscopic methods. The modifying effects of silicotungstic acid (STA) showed promising characteristics for various applications, including X- and gamma-ray detector devices. The films were characterized by X-rays Photoelectron Spectroscopy, Scanning Electron Microscopy, X-ray Diffraction, and Photoluminescence. Ellipsometry measurements were used to determine the thickness of the sample. The study showed that there is no significant effect of the addition of 10-4 M of STA on the thickness of the film. This might be due to the low concentration of STA. No significant difference was noted for samples deposited with and without STA. In both cases the crystallite size of the sample was estimated to be lower than 1.5 microns. The CdS/Si and CdS(STA)/Si samples were annealed at 360 degrees C for 12 hours. The samples prepared with and without STA had the same structure. CdS deposited without and STA exhibited a mixed hexagonal and cubic structure, most likely because the annealing temperature of the sample was very close to the transition temperature of the cubic structure to the hexagonal structure. 3 refs., 1 tab., 3 figs.

  9. A flexible experimental setup for femtosecond time-resolved broad-band ellipsometry and magneto-optics

    Energy Technology Data Exchange (ETDEWEB)

    Boschini, F.; Hedayat, H.; Piovera, C.; Dallera, C. [Dipartimento di Fisica, Politecnico di Milano, p.zza Leonardo da Vinci 32, 20133 Milano (Italy); Gupta, A. [Department of Chemistry, University of Alabama, Tuscaloosa, Alabama 35487 (United States); Carpene, E., E-mail: ettore.carpene@polimi.it [CNR-IFN, Dipartimento di Fisica, Politecnico di Milano, p.zza Leonardo da Vinci 32, 20133 Milano (Italy)

    2015-01-15

    A versatile experimental setup for femtosecond time-resolved ellipsometry and magneto-optical Kerr effect measurements in the visible light range is described. The apparatus is based on the pump-probe technique and combines a broad-band probing beam with an intense near-infrared pump. According to Fresnel scattering matrix formalism, the analysis of the reflected beam at different polarization states of the incident probe light allows one to determine the diagonal and the off-diagonal elements of the dielectric tensor in the investigated sample. Moreover, the pump-probe method permits to study the dynamics of the dielectric response after a short and intense optical excitation. The performance of the experimental apparatus is tested on CrO{sub 2} single crystals as a benchmark.

  10. A flexible experimental setup for femtosecond time-resolved broad-band ellipsometry and magneto-optics

    International Nuclear Information System (INIS)

    Boschini, F.; Hedayat, H.; Piovera, C.; Dallera, C.; Gupta, A.; Carpene, E.

    2015-01-01

    A versatile experimental setup for femtosecond time-resolved ellipsometry and magneto-optical Kerr effect measurements in the visible light range is described. The apparatus is based on the pump-probe technique and combines a broad-band probing beam with an intense near-infrared pump. According to Fresnel scattering matrix formalism, the analysis of the reflected beam at different polarization states of the incident probe light allows one to determine the diagonal and the off-diagonal elements of the dielectric tensor in the investigated sample. Moreover, the pump-probe method permits to study the dynamics of the dielectric response after a short and intense optical excitation. The performance of the experimental apparatus is tested on CrO 2 single crystals as a benchmark

  11. Spectroscopic studies of copper enzymes

    International Nuclear Information System (INIS)

    Dooley, D.M.; Moog, R.; Zumft, W.; Koenig, S.H.; Scott, R.A.; Cote, C.E.; McGuirl, M.

    1986-01-01

    Several spectroscopic methods, including absorption, circular dichroism (CD), magnetic CD (MCD), X-ray absorption, resonance Raman, EPR, NMR, and quasi-elastic light-scattering spectroscopy, have been used to probe the structures of copper-containing amine oxidases, nitrite reductase, and nitrous oxide reductase. The basic goals are to determine the copper site structure, electronic properties, and to generate structure-reactivity correlations. Collectively, the results on the amine oxidases permit a detailed model for the Cu(II) sites in these enzymes to be constructed that, in turn, rationalizes the ligand-binding chemistry. Resonance Raman spectra of the phenylhydrazine and 2,4-dinitrophenyl-hydrazine derivatives of bovine plasma amine oxidase and models for its organic cofactor, e.g. pyridoxal, methoxatin, are most consistent with methoxatin being the intrinsic cofactor. The structure of the Cu(I) forms of the amine oxidases have been investigated by X-ray absorption spectroscopy (XAS); the copper coordination geometry is significantly different in the oxidized and reduced forms. Some anomalous properties of the amine oxidases in solution are explicable in terms of their reversible aggregation, which the authors have characterized via light scattering. Nitrite and nitrous oxide reductases display several novel spectral properties. The data suggest that new types of copper sites are present

  12. Molecular layer deposition of APTES on silicon nanowire biosensors: Surface characterization, stability and pH response

    International Nuclear Information System (INIS)

    Liang, Yuchen; Huang, Jie; Zang, Pengyuan; Kim, Jiyoung; Hu, Walter

    2014-01-01

    Graphical abstract: - Abstract: We report the use of molecular layer deposition (MLD) for depositing 3-aminopropyltriethoxysilane (APTES) on a silicon dioxide surface. The APTES monolayer was characterized using spectroscopic ellipsometry, contact angle goniometry, and atomic force microscopy. Effects of reaction time of repeating pulses and simultaneous feeding of water vapor with APTES were tested. The results indicate that the synergistic effects of water vapor and reaction time are significant for the formation of a stable monolayer. Additionally, increasing the number of repeating pulses improved the APTES surface coverage but led to saturation after 10 pulses. In comparing MLD with solution-phase deposition, the APTES surface coverage and the surface quality were nearly equivalent. The hydrolytic stability of the resulting films was also studied. The results confirmed that the hydrolysis process was necessary for MLD to obtain stable surface chemistry. Furthermore, we compared the pH sensing results of Si nanowire field effect transistors (Si NWFETs) modified by both the MLD and solution methods. The highly repeatable pH sensing results reflected the stability of APTES monolayers. The results also showed an improved pH response of the sensor prepared by MLD compared to the one prepared by the solution treatment, which indicated higher surface coverage of APTES

  13. Molecular layer deposition of APTES on silicon nanowire biosensors: Surface characterization, stability and pH response

    Science.gov (United States)

    Liang, Yuchen; Huang, Jie; Zang, Pengyuan; Kim, Jiyoung; Hu, Walter

    2014-12-01

    We report the use of molecular layer deposition (MLD) for depositing 3-aminopropyltriethoxysilane (APTES) on a silicon dioxide surface. The APTES monolayer was characterized using spectroscopic ellipsometry, contact angle goniometry, and atomic force microscopy. Effects of reaction time of repeating pulses and simultaneous feeding of water vapor with APTES were tested. The results indicate that the synergistic effects of water vapor and reaction time are significant for the formation of a stable monolayer. Additionally, increasing the number of repeating pulses improved the APTES surface coverage but led to saturation after 10 pulses. In comparing MLD with solution-phase deposition, the APTES surface coverage and the surface quality were nearly equivalent. The hydrolytic stability of the resulting films was also studied. The results confirmed that the hydrolysis process was necessary for MLD to obtain stable surface chemistry. Furthermore, we compared the pH sensing results of Si nanowire field effect transistors (Si NWFETs) modified by both the MLD and solution methods. The highly repeatable pH sensing results reflected the stability of APTES monolayers. The results also showed an improved pH response of the sensor prepared by MLD compared to the one prepared by the solution treatment, which indicated higher surface coverage of APTES.

  14. Investigation of PTFE transfer films by infrared emission spectroscopy and phase-locked ellipsometry

    Science.gov (United States)

    Lauer, James L.; Bunting, Bruce G.; Jones, William R., Jr.

    1988-01-01

    When a PTFE sheet was rubbed unidirectionally over a smooth surface of stainless steel an essentially monomolecular transfer film was formed. by ellipsometric and emission infrared spectroscopic techniques it was shown that the film was 10 to 15 A thick and birefringent. From the intensity differences of infrared bands obtained with a polarizer passing radiation polarized in mutually perpendicular planes, it was possible to deduce transfer film orientation with the direction of rubbing. After standing in air for several weeks the transfer films apparently increased in thickness by as much as threefold. At the same time both the index of refraction and the absorption index decreased. Examination of the surfaces by optical and electron microscopies showed that the films had become porous and flaky. These observations were consistent with previous tribological measurements. The coefficients of friction decreased with the formation of the transfer film but increased again as the film developed breaks. The applicability of the ellipsometric and polarized infrared emission techniques to the identification of monomolecular tribological transfer films of polymers such as PTFE has been demonstrated.

  15. Natural organic UV-absorbent coatings based on cellulose and lignin: designed effects on spectroscopic properties.

    Science.gov (United States)

    Hambardzumyan, Arayik; Foulon, Laurence; Chabbert, Brigitte; Aguié-Béghin, Véronique

    2012-12-10

    Novel nanocomposite coatings composed of cellulose nanocrystals (CNCs) and lignin (either synthetic or fractionated from spruce and corn stalks) were prepared without chemical modification or functionalization (via covalent attachment) of one of the two biopolymers. The spectroscopic properties of these coatings were investigated by UV-visible spectrophotometry and spectroscopic ellipsometry. When using the appropriate weight ratio of CNC/lignin (R), these nanocomposite systems exhibited high-performance optical properties, high transmittance in the visible spectrum, and high blocking in the UV spectrum. Atomic force microscopy analysis demonstrated that these coatings were smooth and homogeneous, with visible dispersed lignin nodules in a cellulosic matrix. It was also demonstrated that the introduction of nanoparticles into the medium increases the weight ratio and the CNC-specific surface area, which allows better dispersion of the lignin molecules throughout the solid film. Consequently, the larger molecular expansion of these aromatic polymers on the surface of the cellulosic nanoparticles dislocates the π-π aromatic aggregates, which increases the extinction coefficient and decreases the transmittance in the UV region. These nanocomposite coatings were optically transparent at visible wavelengths.

  16. Spectroscopic and antimicrobial studies of polystyrene films under ...

    Indian Academy of Sciences (India)

    Spectroscopic and antimicrobial studies of polystyrene films under air plasma and He-Ne laser treatment ... The parameters such as (1) surface area by contact angle measurements, (2) quality of material before and after treatment by SEM and FTIR spectra and (3) material characterization by UV-vis spectra were studied.

  17. Syntheses and spectroscopic properties of mercury(II) and nickel(II ...

    African Journals Online (AJOL)

    Syntheses and spectroscopic properties of mercury(II) and nickel(II) ... The complexes were characterized by IR, diffuse reflectance, 1H NMR spectra and elemental ... coordinating through thiolato sulphur and hydrazinic nitrogen atoms.

  18. Ellipsometry applied to phase transitions and relaxation phenomena in Ni.sub.2./sub.MnGa ferromagnetic shape memory alloy

    Czech Academy of Sciences Publication Activity Database

    Dejneka, Alexandr; Zablotskyy, Vitaliy A.; Tyunina, Marina; Jastrabík, Lubomír; Pérez-Landazábal, J.I.; Recarte, V.; Sánchez-Alarcos, V.; Chernenko, V.A.

    2012-01-01

    Roč. 101, č. 14 (2012), "141908-1"-"141908-5" ISSN 0003-6951 R&D Projects: GA TA ČR TA01010517; GA ČR GAP108/12/1941 Institutional research plan: CEZ:AV0Z10100522 Keywords : shape memory alloy * ellipsometry * Ni 2 MnGa Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.794, year: 2012 http://dx.doi.org/10.1063/1.4757393

  19. Structural, Optical, and Electrical Characterization of β-Ga2O3 Thin Films Grown by Plasma-Assisted Molecular Beam Epitaxy Suitable for UV Sensing

    Directory of Open Access Journals (Sweden)

    Abraham Arias

    2018-01-01

    Full Text Available β-Ga2O3 thin films were grown on c-plane sapphire substrates by plasma-assisted molecular beam epitaxy. The films were grown using an elemental gallium source and oxygen supplied by an RF plasma source. Reflection high-energy electron diffraction (RHEED was used to monitor the surface quality in real time. Both in situ RHEED and ex situ X-ray diffraction confirmed the formation of single crystal β-phase films with excellent crystallinity on c-plane sapphire. Spectroscopic ellipsometry was used to determine the film thicknesses, giving values in the 11.6–18.8 nm range and the refractive index dispersion curves. UV-Vis transmittance measurements revealed that strong absorption of β-Ga2O3 starts at ∼270 nm. Top metal contacts were deposited by thermal evaporation for I-V characterization, which has been carried out in dark, as well as under visible and UV light illumination. The optical and electrical measurements showed that the grown thin films of β-Ga2O3 are excellent candidates for deep-ultraviolet detection and sensing.

  20. Micro-array versus nano-array platforms: a comparative study for ODN detection based on SPR enhanced ellipsometry

    International Nuclear Information System (INIS)

    Celen, Burcu; Piskin, Erhan; Demirel, Goekhan

    2011-01-01

    The rapid and sensitive detection of DNA has recently attracted worldwide attention for a variety of disease diagnoses and detection of harmful bacteria in food and drink. In this paper, we carried out a comparative study based on surface plasmon resonance enhanced ellipsometry (SPREE) for the detection of oligodeoxynucleotides (ODNs) using micro- and nano-array platforms. The micro-arrayed surfaces were fabricated by a photolithography approach using different types of mask having varying size and shape. Well-ordered arrays of high aspect ratio polymeric nanotubes were also obtained using high molecular weight polystyrene (PS) and anodic aluminum oxide (AAO) membranes having 200 nm pore diameters. The SPREE sensors were then prepared by direct coupling of thiolated probe-ODNs, which contain suitable spacer arms, on gold-coated micro- and nano-arrayed surfaces. We experimentally demonstrated that, for the first time, gold-coated free standing polymeric nano-arrayed platforms can easily be produced and lead to a significant sensor sensitivity gain compared to that of the conventional SPREE surfaces of about four times. We believe that such an enhancement in sensor response could be useful for next generation sensor systems.

  1. Micro-array versus nano-array platforms: a comparative study for ODN detection based on SPR enhanced ellipsometry

    Science.gov (United States)

    Celen, Burcu; Demirel, Gökhan; Piskin, Erhan

    2011-04-01

    The rapid and sensitive detection of DNA has recently attracted worldwide attention for a variety of disease diagnoses and detection of harmful bacteria in food and drink. In this paper, we carried out a comparative study based on surface plasmon resonance enhanced ellipsometry (SPREE) for the detection of oligodeoxynucleotides (ODNs) using micro- and nano-array platforms. The micro-arrayed surfaces were fabricated by a photolithography approach using different types of mask having varying size and shape. Well-ordered arrays of high aspect ratio polymeric nanotubes were also obtained using high molecular weight polystyrene (PS) and anodic aluminum oxide (AAO) membranes having 200 nm pore diameters. The SPREE sensors were then prepared by direct coupling of thiolated probe-ODNs, which contain suitable spacer arms, on gold-coated micro- and nano-arrayed surfaces. We experimentally demonstrated that, for the first time, gold-coated free standing polymeric nano-arrayed platforms can easily be produced and lead to a significant sensor sensitivity gain compared to that of the conventional SPREE surfaces of about four times. We believe that such an enhancement in sensor response could be useful for next generation sensor systems.

  2. Ellipsometry of rough CdTe(211)B-Ge(211) surfaces grown by molecular beam epitaxy

    International Nuclear Information System (INIS)

    Badano, Giacomo; Ballet, Philippe; Zanatta, Jean-Paul; Baudry, Xavier; Million, Alain; Garland, James W.

    2006-01-01

    The effect of surface roughness on the ellipsometric response of semiconductor surfaces is investigated. CdTe(211)B layers were grown on Ge(211) by molecular beam epitaxy using less than optimal growth conditions to enhance the formation of surface roughness. Their optical properties, measured by rotating-compensator ellipsometry, showed small but significant sample-to-sample differences not explainable in terms of nanometer-scale roughness. A critical-point analysis established that the critical-point structure of the dielectric function was the same for all samples. This result suggested that the observed sample-to-sample variations were due to macroscopic roughness, which scatters off-specular light into the detector, thereby causing errors. We introduced tentative corrections for off-specular reflection that fitted the observed differences and thus supported the idea that off-specular reflection was responsible for the observed differences. These results were obtained using CdTe but are easily extensible to other rough opaque materials

  3. Argilas como catalisadores verdes na esterificação do colesterol: caracterização espectroscópica e identificação de polimorfos por métodos de análise térmica. Uma proposta laboratorial interdisciplinar para o 1º ciclo universitário Clays as green catalysts in the cholesterol esterification: spectroscopic characterization and polymorphs identification by thermal analysis methods. An interdisciplinary laboratorial proposal for the undergraduate level

    Directory of Open Access Journals (Sweden)

    Teresa M. R. Maria

    2009-01-01

    Full Text Available A laboratory experiment that enables the professor to introduce the problematic of sustainable development in pharmaceutical chemistry to undergraduate students is proposed, using a simple synthetic procedure. Cholesteryl acetate is prepared by the esterification of cholesterol using Montmorillonite K10 as heterogeneous catalyst. Cholesterol and cholesteryl acetate are characterized by spectroscopic (¹H RMN, 13C RMN, FTIR and thermal analysis techniques. The thermal methods are used to introduce the concepts of polymorphism and the nature of mesophases.

  4. Fabrication and characterization of ultrathin dextran layers: Time dependent nanostructure in aqueous environments revealed by OWLS.

    Science.gov (United States)

    Saftics, Andras; Kurunczi, Sándor; Szekrényes, Zsolt; Kamarás, Katalin; Khánh, Nguyen Quoc; Sulyok, Attila; Bősze, Szilvia; Horvath, Robert

    2016-10-01

    Surface coatings of the polysaccharide dextran and its derivatives are key ingredients especially in label-free biosensors for the suppression of non-specific binding and for receptor immobilization. Nevertheless, the nanostructure of these ultrathin coatings and its tailoring by the variation of the preparation conditions have not been profoundly characterized and understood. In this work carboxymethylated dextran (CMD) was prepared and used for fabricating ultrathin surface coatings. A grafting method based on covalent coupling to aminosilane- and epoxysilane-functionalized surfaces was applied to obtain thin CMD layers. The carboxyl moiety of the CMD was coupled to the aminated surface by EDC-NHS reagents, while CMD coupling through epoxysilane molecules was performed without any additional reagents. The surface analysis following the grafting procedures consisted of X-ray photoelectron spectroscopy (XPS), attenuated total reflection infrared spectroscopy (ATR-IR), spectroscopic ellipsometry, atomic force microscopy (AFM) and optical waveguide lightmode spectroscopy (OWLS). The XPS and AFM measurements showed that the grafting resulted in a very thin dextran layer of a few nanometers. The OWLS method allowed devising the structure of the interfacial dextran layers by the evaluation of the optogeometrical parameters. The alteration in the nanostructure of the CMD layer with the chemical composition of the silane coverage and the pH of the grafting solution was revealed by in situ OWLS, specifically, lain down chains were found to be prevalent on the surface under neutral and basic conditions on epoxysilylated surfaces. The developed methodologies allowed to design and fabricate nanometer scale CMD layers with well-controlled surface structure, which are very difficult to characterize in aqueous environments using present instrumentations and highly hydrated surface layers. Copyright © 2016 Elsevier B.V. All rights reserved.

  5. Spectroscopic analysis of optoelectronic semiconductors

    CERN Document Server

    Jimenez, Juan

    2016-01-01

    This book deals with standard spectroscopic techniques which can be used to analyze semiconductor samples or devices, in both, bulk, micrometer and submicrometer scale. The book aims helping experimental physicists and engineers to choose the right analytical spectroscopic technique in order to get specific information about their specific demands. For this purpose, the techniques including technical details such as apparatus and probed sample region are described. More important, also the expected outcome from experiments is provided. This involves also the link to theory, that is not subject of this book, and the link to current experimental results in the literature which are presented in a review-like style. Many special spectroscopic techniques are introduced and their relationship to the standard techniques is revealed. Thus the book works also as a type of guide or reference book for people researching in optical spectroscopy of semiconductors.

  6. NMR spectroscopic characterization and DFT calculations of zirconium(IV)-3,3'-Br2-BINOLate and related complexes used in an enantioselective Friedel-Crafts alkylation of indoles with α,β-unsaturated ketones.

    Science.gov (United States)

    Blay, Gonzalo; Cano, Joan; Cardona, Luz; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R; Vila, Carlos

    2012-12-07

    Experimental and theoretical studies on the structure of several complexes based on (R)-3,3'-Br(2)-BINOL ligand and group (IV) metals used as catalysts in an enantioselective Friedel-Crafts alkylation of indoles with α,β-unsaturated ketones have been carried out. NMR spectroscopic studies of these catalysts have been performed, which suggested that at room temperature the catalysts would form a monomeric structure in the case of Ti(IV) and a dimeric structure in the cases of Zr(IV) and Hf(IV). Density functional theory (DFT) calculations clearly corroborate the conclusions of these experimental spectroscopic studies. The dimeric structure with a doubly bridged motif [Zr(IV)(2)(μ-(R)-3,3'-Br(2)-BINOL)(2)] where each binaphthol ligand acts as bridge between the metal centers (Novak's model) is more stable than the dimeric structure with a doubly bridged motif [Zr(IV)(2)(μ-O(t)Bu)(2)] where the tert-butoxide groups act as bridging ligands (Kobayashi's model). The scope of the Friedel-Crafts alkylation with regard to the indole structure has been studied. Finally a plausible mechanism for the Friedel-Crafts reaction and a stereomodel for the mode of action of the catalyst that explain the observed stereochemistry of the reaction products have been proposed.

  7. SPECTROSCOPIC, STRUCTURAL, THERMAL AND ...

    African Journals Online (AJOL)

    B. S. Chandravanshi

    and characterize the complexes of Mn(II), Fe(III), Co(II) and Ni(II) with L in order to ... Studies on 4,6-bis (4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile ..... Mass spectra of (A) L, (B) [Mn(L)2(H2O)2]SO4,(C) [Fe(L)2(H2O)2](NO3)3, (D) .... S.A. Sadeek et al. Bull. Chem. Soc. Ethiop. 2015, 29(1). 86. Thermal analysis.

  8. Universal relation between spectroscopic constants

    Indian Academy of Sciences (India)

    (3) The author has used eq. (6) of his paper to calculate De. This relation leads to a large deviation from the correct value depending upon the extent to which experimental values are known. Guided by this fact, in our work, we used experimentally observed De values to derive the relation between spectroscopic constants.

  9. The VANDELS ESO spectroscopic survey

    Science.gov (United States)

    McLure, R. J.; Pentericci, L.; Cimatti, A.; Dunlop, J. S.; Elbaz, D.; Fontana, A.; Nandra, K.; Amorin, R.; Bolzonella, M.; Bongiorno, A.; Carnall, A. C.; Castellano, M.; Cirasuolo, M.; Cucciati, O.; Cullen, F.; De Barros, S.; Finkelstein, S. L.; Fontanot, F.; Franzetti, P.; Fumana, M.; Gargiulo, A.; Garilli, B.; Guaita, L.; Hartley, W. G.; Iovino, A.; Jarvis, M. J.; Juneau, S.; Karman, W.; Maccagni, D.; Marchi, F.; Mármol-Queraltó, E.; Pompei, E.; Pozzetti, L.; Scodeggio, M.; Sommariva, V.; Talia, M.; Almaini, O.; Balestra, I.; Bardelli, S.; Bell, E. F.; Bourne, N.; Bowler, R. A. A.; Brusa, M.; Buitrago, F.; Caputi, K. I.; Cassata, P.; Charlot, S.; Citro, A.; Cresci, G.; Cristiani, S.; Curtis-Lake, E.; Dickinson, M.; Fazio, G. G.; Ferguson, H. C.; Fiore, F.; Franco, M.; Fynbo, J. P. U.; Galametz, A.; Georgakakis, A.; Giavalisco, M.; Grazian, A.; Hathi, N. P.; Jung, I.; Kim, S.; Koekemoer, A. M.; Khusanova, Y.; Le Fèvre, O.; Lotz, J. M.; Mannucci, F.; Maltby, D. T.; Matsuoka, K.; McLeod, D. J.; Mendez-Hernandez, H.; Mendez-Abreu, J.; Mignoli, M.; Moresco, M.; Mortlock, A.; Nonino, M.; Pannella, M.; Papovich, C.; Popesso, P.; Rosario, D. P.; Salvato, M.; Santini, P.; Schaerer, D.; Schreiber, C.; Stark, D. P.; Tasca, L. A. M.; Thomas, R.; Treu, T.; Vanzella, E.; Wild, V.; Williams, C. C.; Zamorani, G.; Zucca, E.

    2018-05-01

    VANDELS is a uniquely-deep spectroscopic survey of high-redshift galaxies with the VIMOS spectrograph on ESO's Very Large Telescope (VLT). The survey has obtained ultra-deep optical (0.48 studies. Using integration times calculated to produce an approximately constant signal-to-noise ratio (20 motivation, survey design and target selection.

  10. Mechanical characterization of 'uncoated' and 'Ta2O5-single-layer-coated' SiO2 substrates: results from GeNS suspension, and the CoaCh project

    Science.gov (United States)

    Cesarini, E.; Prato, M.; Lorenzini, M.; Cagnoli, G.; Campagna, E.; Canepa, M.; Chincarini, A.; Gemme, G.; Losurdo, G.; Martelli, F.; Piergiovanni, F.; Vetrano, F.

    2010-04-01

    Thermal noise of the mirrors limits the sensitivity of interferometric gravitational-wave detectors in the frequency range between 50 and 300 Hz. According to the fluctuation-dissipation theorem, the thermal noise amplitude is proportional to the mechanical loss of the mirrors. Fused silica substrates loss angle widely ranges from 10-9 to 10-6, while for the coating it is around 10-4. Loss angle measurements in ultra low mechanical loss materials are normally affected by a large systematic error due to the excess losses introduced by the suspension system used to hold the samples. An innovative measurement system Gentle Nodal Suspension, where the disk-shaped sample is suspended in equilibrium on the top of a sphere, touching one of the nodal points of vibration, has been developed in INFN Florence Virgo laboratory. The advantages of this system are as follows: (i) the good reproducibility of loss angle measurements; (ii) one surface only (in any case uncoated) of the sample is touched; (iii) the contact surface is minimized because of the absence of applied forces. This suspension has been used to characterize annealing and coating deposition effects on the mechanical quality factor Q. An interesting comparison/analysis of these effects on mechanical, optical, chemical and surface properties using spectroscopic ellipsometry, x-ray photoelectron spectroscopy and atomic force microscopy has been carried out.

  11. Mechanical characterization of 'uncoated' and 'Ta2O5-single-layer-coated' SiO2 substrates: results from GeNS suspension, and the CoaCh project

    International Nuclear Information System (INIS)

    Cesarini, E; Campagna, E; Martelli, F; Piergiovanni, F; Vetrano, F; Prato, M; Canepa, M; Chincarini, A; Gemme, G; Lorenzini, M; Cagnoli, G; Losurdo, G

    2010-01-01

    Thermal noise of the mirrors limits the sensitivity of interferometric gravitational-wave detectors in the frequency range between 50 and 300 Hz. According to the fluctuation-dissipation theorem, the thermal noise amplitude is proportional to the mechanical loss of the mirrors. Fused silica substrates loss angle widely ranges from 10 -9 to 10 -6 , while for the coating it is around 10 -4 . Loss angle measurements in ultra low mechanical loss materials are normally affected by a large systematic error due to the excess losses introduced by the suspension system used to hold the samples. An innovative measurement system Gentle Nodal Suspension, where the disk-shaped sample is suspended in equilibrium on the top of a sphere, touching one of the nodal points of vibration, has been developed in INFN Florence Virgo laboratory. The advantages of this system are as follows: (i) the good reproducibility of loss angle measurements; (ii) one surface only (in any case uncoated) of the sample is touched; (iii) the contact surface is minimized because of the absence of applied forces. This suspension has been used to characterize annealing and coating deposition effects on the mechanical quality factor Q. An interesting comparison/analysis of these effects on mechanical, optical, chemical and surface properties using spectroscopic ellipsometry, x-ray photoelectron spectroscopy and atomic force microscopy has been carried out.

  12. Mechanical characterization of 'uncoated' and 'Ta{sub 2}O{sub 5}-single-layer-coated' SiO{sub 2} substrates: results from GeNS suspension, and the CoaCh project

    Energy Technology Data Exchange (ETDEWEB)

    Cesarini, E; Campagna, E; Martelli, F; Piergiovanni, F; Vetrano, F [Universita di Urbino, via S. Chiara 27, 61029 Urbino (Italy); Prato, M; Canepa, M; Chincarini, A; Gemme, G [INFN, Istituto Nazionale di Fisica Nucleare, Sez. di Genova, Via Dodecaneso 33, 16146 Genova (Italy); Lorenzini, M; Cagnoli, G; Losurdo, G, E-mail: cesarini@arcetri.astro.i [INFN, Istituto Nazionale di Fisica Nucleare, Sez. di Firenze via G. Sansone 1, 50019 Sesto Fiorentino, Firenze (Italy)

    2010-04-21

    Thermal noise of the mirrors limits the sensitivity of interferometric gravitational-wave detectors in the frequency range between 50 and 300 Hz. According to the fluctuation-dissipation theorem, the thermal noise amplitude is proportional to the mechanical loss of the mirrors. Fused silica substrates loss angle widely ranges from 10{sup -9} to 10{sup -6}, while for the coating it is around 10{sup -4}. Loss angle measurements in ultra low mechanical loss materials are normally affected by a large systematic error due to the excess losses introduced by the suspension system used to hold the samples. An innovative measurement system Gentle Nodal Suspension, where the disk-shaped sample is suspended in equilibrium on the top of a sphere, touching one of the nodal points of vibration, has been developed in INFN Florence Virgo laboratory. The advantages of this system are as follows: (i) the good reproducibility of loss angle measurements; (ii) one surface only (in any case uncoated) of the sample is touched; (iii) the contact surface is minimized because of the absence of applied forces. This suspension has been used to characterize annealing and coating deposition effects on the mechanical quality factor Q. An interesting comparison/analysis of these effects on mechanical, optical, chemical and surface properties using spectroscopic ellipsometry, x-ray photoelectron spectroscopy and atomic force microscopy has been carried out.

  13. Optical characterization and bandgap engineering of flat and wrinkle-textured FA0.83Cs0.17Pb(I1-xBrx)3 perovskite thin films

    Science.gov (United States)

    Tejada, A.; Braunger, S.; Korte, L.; Albrecht, S.; Rech, B.; Guerra, J. A.

    2018-05-01

    The complex refractive indices of formamidinium cesium lead mixed-halide [FA0.83Cs0.17Pb(I1- xBrx)3] perovskite thin films of compositions ranging from x = 0 to 0.4, with both flat and wrinkle-textured surface topographies, are reported. The films are characterized using a combination of variable angle spectroscopic ellipsometry and spectral transmittance in the wavelength range of 190 nm to 850 nm. Optical constants, film thicknesses and roughness layers are obtained point-by-point by minimizing a global error function, without using optical dispersion models, and including topographical information supplied by a laser confocal microscope. To evaluate the bandgap engineering potential of the material, the optical bandgaps and Urbach energies are then accurately determined by applying a band fluctuation model for direct semiconductors, which considers both the Urbach tail and the fundamental band-to-band absorption region in a single equation. With this information, the composition yielding the optimum bandgap of 1.75 eV for a Si-perovskite tandem solar cell is determined.

  14. Optical and structural characterization of Ge clusters embedded in ZrO2

    OpenAIRE

    Agocs, E; Zolnai, Z.; Rossall, A. K.; Van den Berg, Jakob; Fodor, B.; Lehninger, D.; Khomenkova, L.; Ponomaryov, S.; Gudymenko, O.; Yukhymchuk, V.; Kalas, B.; Heitmann, J.; Petrik, P.

    2017-01-01

    The change of optical and structural properties of Ge nanoclusters in ZrO2 matrix have been investigated by spectroscopic ellipsometry versus annealing temperatures. Radio-frequency top-down magnetron sputtering approach was used to produce the samples of different types, i.e. single-layers of pure Ge, pure ZrO2 and Ge-rich-ZrO2 as well as multi-layers stacked of 40 periods of 5-nm-Ge-rich-ZrO2 layers alternated by 5-nm-ZrO2 ones. Germanium nanoclusters in ZrO2 host were formed by rapid-therm...

  15. Spectroscopic investigation of oxidized solder surfaces

    International Nuclear Information System (INIS)

    Song, Jenn-Ming; Chang-Chien, Yu-Chien; Huang, Bo-Chang; Chen, Wei-Ting; Shie, Chi-Rung; Hsu, Chuang-Yao

    2011-01-01

    Highlights: → UV-visible spectroscopy is successfully used to evaluate the degree of discoloring of solders. → The surface oxides of solders can also be identified by UV-visible absorption spectra. → The discoloration of solder surface can be correlated with optical characterization of oxides. → A strategy against discoloring by alloying was also suggested. - Abstract: For further understanding of the discoloration of solder surfaces due to oxidation during the assembly and operation of electronic devices, UV-vis and X-ray photoelectron spectroscopic analyses were applied to evaluate the degree of discoloring and identify the surface oxides. The decrease in reflectance of the oxidized solder surface is related to SnO whose absorption band is located within the visible region. A trace of P can effectively depress the discoloration of solders under both solid and semi-solid states through the suppression of SnO.

  16. Yb{sup 3+}:Sr{sub 5}(VO{sub 4}){sub 3}F: Crystal growth, spectroscopic characterization and laser development; Yb{sup 3+}:Sr{sub 5}(VO{sub 4}){sub 3}F: Crescimento, caracterizacao espectroscopica e desenvolvimento do laser

    Energy Technology Data Exchange (ETDEWEB)

    Bustamante, Andrea Nora Pino

    1999-07-01

    Crystal growth, spectroscopic characterization and laser development of Yb{sup 3+}:SVAP [Sr{sub 5}(VO{sub 4}){sub 3}F] was performed to demonstrate for the first time, operation of tunable laser emission centered at 1120 nm. Initially, SVAP crystals were grown with high dopant concentrations, up to 6.0 mol % of Yb{sub 2} O{sub 3} in the melt, in order to investigate the material for potential laser operation at a new laser wavelength. Additional research was performed to alleviate highly doped SVAP crystals of defects previously observed. Basic spectroscopic characterization including absorption and luminescent properties were measured to better understand the behavior of Yb{sup 3+} ions in SVAP. Based upon these studies, discussion of the 1120 nm laser transition is presented as it arises from a ground state vibrational level. Investigations of the charge compensation process and the optical parameters as a function of dopant concentration are also presented. The laser development of Yb{sup 3+}:SVAP included continuous and pulsed modes of operation of the 1044 nm and 1120 nm transitions. Initial laser action of the 1044 nm transition was achieved using a Yi: Saphire laser pump source in order to compare with previously results. Further development of a diode-pumped Yb{sup 3+}:SVAP laser system demonstrated continuously tunable laser operation from 1103 nm for the first time. The laser investigations also proved that this high gain media does provide continuous wave laser action at 1044 nm and 1120 simultaneously without significant gain depletion. (author)

  17. Spectroscopic identification of rare earth elements in phosphate glass

    Science.gov (United States)

    Devangad, Praveen; Tamboli, Maktum; Muhammed Shameem, K. M.; Nayak, Rajesh; Patil, Ajeetkumar; Unnikrishnan, V. K.; Santhosh, C.; Kumar, G. A.

    2018-01-01

    In this work, rare earth-doped phosphate glasses were synthesized and characterized using three different spectroscopic techniques. The absorption spectra of the prepared praseodymium (Pr) and samarium (Sm) doped glasses, recorded by a UV-VIS-NIR spectrophotometer, show the characteristic absorption bands of these elements. To confirm this inference, laser-induced fluorescence spectra of Pr and Sm were obtained at a laser excitation of 442 nm. Their emission bands are reported here. The elemental analysis of these samples was carried out using a laser-induced breakdown spectroscopy (LIBS) system. Characteristic emission lines of Pr and Sm have been identified and reported by the recorded LIBS spectra of glass samples. Results prove that using these three complimentary spectroscopic techniques (absorption, fluorescence and LIBS), we can meaningfully characterize rare earth-doped glass samples.

  18. Evolution of containment facilities for spectroscopic analysis at Rockwell Hanford Operations

    International Nuclear Information System (INIS)

    Hiller, J.M.

    1984-01-01

    The analysis of radioactive material requires much thought concerning getting the job done while still maintaining a safe working environment. A Rockwell Hanford Operations, several stages of evolution in instrumentation for spectroscopic elemental analysis have evolved, reflecting different philosophies respect to shielding and contamination control. Atomic absorption and inductively coupled plasma emission spectroscopic systems have been used for analyzing samples in support of a fission product recovery plant, nuclear waste processing and characterization programs, and U and Pu separation plants. Design thoughts, criticisms, and lessons learned in 20 years of containment for spectroscopic analysis are presented

  19. Evolution of containment facilities for spectroscopic analysis at Rockwell Hanford Operations

    International Nuclear Information System (INIS)

    Hiller, J.M.

    1984-01-01

    The analysis of radioactive material requires much thought concerning getting the job done while still maintaining a safe working environment. At Rockwell Hanford Operations, we have gone through several stages of evolution in instrumentation for spectroscopic