Improving interpretation of infrared spectra for OM characterization by subtraction of spectra from incinerated samples

Science.gov (United States)

Ellerbrock, Ruth H.; Gerke, Horst H.; Leue, Martin

2017-04-01

Non-destructive methods such as diffuse reflectance infrared Fourier transform spectroscopy (DRIFT) have been applied to characterize organic matter (OM) at intact structural surfaces among others. However, it is often difficult to distinguish effects of organic components on DRIFT signal intensities from those of mineral components. The objective of this study was to re-evaluate DRIFT spectra from intact earthworm burrow walls and coated cracks to improve the interpretation of C-H and C=O bands. We compared DRIFT and transmission Fourier transform infrared (FTIR) spectra of entire samples that were from the same pedogenetic soil horizon, but different in mineral composition and texture (i.e., glacial till versus loess). Spectra of incinerated samples were subtracted from the original spectra. Transmission FTIR and DRIFT spectra were almost identical for entire soil samples. However, the DRIFT spectra were affected by the bulk mode bands (i.e., wavenumbers 2000 to 1700 cm-1) that affected spectral resolution and reproducibility. The ratios between C-H and C=O band intensities as indicator for OM quality obtained with DRIFT were smaller than those obtained from transmission FTIR. A spectral subtraction procedure was found to reduce effects of mineral absorption bands on DRIFT spectra allowing an improved interpretation. DRIFT spectroscopy as a non-destructive method for analyzing OM composition at intact surfaces in structured soils could be calibrated with information obtained with the more detailed transmission FTIR and complementary methods.

Diffuse reflectance infrared Fourier-Transform spectra of selected organic compounds

Energy Technology Data Exchange (ETDEWEB)

Harmon, S.H.; Caton, J.E.

1982-05-01

Diffuse reflectance infrared spectra of a variety of different organic compounds have been determined. Profiles of the spectra along with the location and relative intensity of the principal bands have been included for each compound studied. In addition both diffuse reflectance and transmittance infrared spectra were obtained for the same samples, and the spectral results were compared. Although some minor variations are observed between a diffuse reflectance spectrum and the corresponding transmittance spectrum, the diffuse reflectance is quite useful and may be a superior technique for the study of many samples because it possesses an inherently higher signal-to-noise response, requires less sample preparation and allows a very wide range of samples (solids, liquids of low volatility, neat sample, or sample diluted in a reflecting medium) to be studied under very similar conditions.

Mid-Infrared Silicate Dust Features in Seyfert 1 Spectra

Science.gov (United States)

Thompson, Grant D.; Levenson, N. A.; Sirocky, M. M.; Uddin, S.

2007-12-01

Silicate dust emission dominates the mid-infrared spectra of galaxies, and the dust produces two spectral features, at 10 and 18 μm. These features' strengths (in emission or absorption) and peak wavelengths reveal the geometry of the dust distribution, and they are sensitive to the dust composition. We examine mid-infrared spectra of 32 Seyfert 1 active galactic nuclei (AGN), observed with the Infrared Spectrograph aboard the Spitzer Space Telescope. In the spectra, we typically find the shorter-wavelength feature in emission, at an average peak wavelength of 10.0 μm, although it is known historically as the "9.7 μm" feature. In addition, peak wavelength increases with feature strength. The 10 and 18 μm feature strengths together are sensitive to the dust geometry surrounding the central heating engine. Numerical calculations of radiative transfer distinguish between clumpy and smooth distributions, and we find that the surroundings of these AGN (the obscuring "tori" of unified AGN schemes) are clumpy. Polycyclic aromatic hydrocarbon (PAH) features are associated with star formation, and we find strong PAH emission (luminosity ≥ 1042 erg/s) in only four sources, three of which show independent evidence for starbursts. We will explore the effects of luminosity on dust geometry and chemistry in a comparison sample of quasars. We acknowledge work supported by the NSF under grant number 0237291.

AN ATLAS OF BRIGHT STAR SPECTRA IN THE NEAR-INFRARED FROM CASSINI-VIMS

International Nuclear Information System (INIS)

Stewart, Paul N.; Tuthill, Peter G.; Nicholson, Philip D.; Sloan, G. C.; Hedman, Matthew M.

2015-01-01

We present the Cassini Atlas Of Stellar Spectra (CAOSS), comprised of near-infrared, low-resolution spectra of bright stars recovered from space-based observations by the Cassini spacecraft. The 65 stellar targets in the atlas are predominately M, K, and S giants. However, it also contains spectra of other bright nearby stars including carbon stars and main-sequence stars from A to F. The spectra presented are free of all spectral contamination caused by the Earth's atmosphere, including the detrimental telluric molecular bands which put parts of the near-infrared spectrum out of reach of terrestrial observations. With a single instrument, a spectro-photometric data set is recovered that spans the near-infrared from 0.8 to 5.1 μm with spectral resolution ranging from R = 53.5 to R = 325. Spectra have been calibrated into absolute flux units after careful characterization of the instrumental spectral efficiency. Spectral energy distributions for most stars match closely with literature values. All final data products have been made available online

AN ATLAS OF BRIGHT STAR SPECTRA IN THE NEAR-INFRARED FROM CASSINI-VIMS

Energy Technology Data Exchange (ETDEWEB)

Stewart, Paul N.; Tuthill, Peter G. [Sydney Institute for Astronomy, School of Physics, The University of Sydney, NSW 2006 (Australia); Nicholson, Philip D. [Department of Astronomy, Cornell University, Ithaca, NY 14853 (United States); Sloan, G. C. [Cornell Center for Astrophyics and Planetary Science, Cornell University, Ithaca, NY 14853 (United States); Hedman, Matthew M., E-mail: p.stewart@physics.usyd.edu.au [Department of Physics, University of Idaho, Moscow, ID 83844 (United States)

2015-12-15

We present the Cassini Atlas Of Stellar Spectra (CAOSS), comprised of near-infrared, low-resolution spectra of bright stars recovered from space-based observations by the Cassini spacecraft. The 65 stellar targets in the atlas are predominately M, K, and S giants. However, it also contains spectra of other bright nearby stars including carbon stars and main-sequence stars from A to F. The spectra presented are free of all spectral contamination caused by the Earth's atmosphere, including the detrimental telluric molecular bands which put parts of the near-infrared spectrum out of reach of terrestrial observations. With a single instrument, a spectro-photometric data set is recovered that spans the near-infrared from 0.8 to 5.1 μm with spectral resolution ranging from R = 53.5 to R = 325. Spectra have been calibrated into absolute flux units after careful characterization of the instrumental spectral efficiency. Spectral energy distributions for most stars match closely with literature values. All final data products have been made available online.

Infrared spectra of lunar soils. [using a Michelson interferometer

Science.gov (United States)

Aronson, J. R.; Emslie, A. G.; Smith, E. M.

1979-01-01

Measured data obtained by Michelson interferometer spectrometer were stored in a computer file and smoothed by being passed forward and backward through a digital four-pole low pass filter. Infrared spectra of the 10 lunar samples are presented in the format of brightness temperature versus frequency. The mol % of feldspar, pyroxene, olivine, ilmenite and ferromagnetic silicate in each sample is presented in tables. The reflectance spectra of ilmenite and enstatite are shown in graphs.

Infrared spectra in monitoring biochemical parameters of human blood

International Nuclear Information System (INIS)

Prabhakar, S; Singh, R A; Jain, N

2012-01-01

Infrared spectroscopy is gaining recognition as a promising method. The infrared spectra of selected regions (2000-400cm -1 ) of blood tissue samples are reported. Present study related to the role of spectral peak fitting in the study of human blood and quantitative interpretations of infrared spectra based on chemometrics. The spectral variations are interpreted in terms of the biochemical and pathological processes involved. The mean RNA/DNA ratio of fitted intensities and analytical area as calculated from the transmittance peaks at 1121cm -1 /1020cm -1 is found to be 0.911A.U and 2.00A.U. respectively. The ratio of 1659cm -1 /1544cm -1 (amide-I/amide-II) bands is found to shed light on the change in the DNA content. The ratio of amide-I/amide-II is almost unity (≅1.054) for blood spectra. The deviation from unity is an indication of DNA absorption from the RBC cells. The total phosphate content has found to be 25.09A.U. The level for glycogen/phosphate ratio (areas under peaks 1030cm -1 /1082cm -1 ) is found to be 0.286A.U. The ratio of unsaturated and saturated carbonyl compounds (C=O) in blood samples is in form of esters and the analytical areas under the spectral peaks at 1740cm -1 and 1731cm -1 for unsaturated esters and saturated esters respectively found to be 0.618A.U.

Estimation of leaf water content from far infrared (2.5-14µm) spectra using continuous wavelet analysis

NARCIS (Netherlands)

Ullah, S.; Skidmore, A.K.; Naeem, M.; Schlerf, M.

2012-01-01

The objective of this study was to estimate leaf water content based on continuous wavelet analysis from the far infrared (2.5 - 14.0 μm) spectra. The entire dataset comprised of 394 far infrared spectra which were divided into calibration (262 spectra) and validation (132 spectra) subsets. The far

Far-infrared spectra of acetanilide revisited

Science.gov (United States)

Spire, A.; Barthes, M.; Kellouai, H.; De Nunzio, G.

2000-03-01

A new investigation of the temperature dependence of the far-infrared spectra of acetanilide and some isotopomers is presented. Four absorption bands are considered at 31, 42, 64, and 80 cm-1, and no significant change of their integrated intensity is observed when reducing the temperature. The temperature induced frequency shift values and other properties of these bands are consistent with an assignment as anharmonic lattice phonons. These results rule out the assignment of the 64, 80, and 106 cm-1 bands as normal modes of the polaronic excitation, as previously suggested.

Handbook of proton-NMR spectra and data index

CERN Document Server

Asahi Research Center Co, Ltd

2013-01-01

Handbook of Proton-NMR Spectra and Data: Index to Volumes 1-10 compiles four types of indexes used in charting the proton-NMR spectral database -Chemical Name Index, Molecular Formula Index, Substructure Index, and Chemical Shift Index. The Chemical Name Index compiles all chemical names in alphabetical order, followed by a spectrum number. When the desired organic compound cannot be found in the Chemical Name Index or its nomenclature is unclear, it becomes necessary to look for a compound by means of its molecular formula, hence the Molecular Formula Index. A unique notation system for repre

Vibronic spectra of Gd3+ in metaphosphate glasses: Comparison with Raman and infrared spectra

International Nuclear Information System (INIS)

Hall, D.W.; Brawer, S.A.; Weber, M.J.

1982-01-01

Vibronic sidebands associated with the 6 P/sub 7/2/→ 8 S/sub 7/2/ transition of Gd 3+ -doped metaphosphate glasses are observed using line-narrowed fluorescence techniques. Glasses having metal cations of different mass and charge (La,Al,Mg,Ba) are examined. Vibronic spectra, which probe vibrations about the rare-earth element site, are compared with polarized Raman scattering data and the infrared dielectric constant obtained from near-normal reflectance measurements. Results indicate that in metaphosphate glasses vibronic selection rules are similar to HV (vertical height) Raman selection rules. The wavelengths and relative intensities of peaks in the high-frequency portion of the vibronic spectra change with respect to corresponding peaks in the Raman spectra when the mass and/or charge of Gd 3+ differs significantly from that of the metal cation

Using Molecular Modeling in Teaching Group Theory Analysis of the Infrared Spectra of Organometallic Compounds

Science.gov (United States)

Wang, Lihua

2012-01-01

A new method is introduced for teaching group theory analysis of the infrared spectra of organometallic compounds using molecular modeling. The main focus of this method is to enhance student understanding of the symmetry properties of vibrational modes and of the group theory analysis of infrared (IR) spectra by using visual aids provided by…

Infrared and Raman spectra, DFT-calculations and spectral assignments of germacyclohexane

Energy Technology Data Exchange (ETDEWEB)

Aleksa, V., E-mail: valdemaras.aleksa@ff.vu.lt; Ozerenskis, D.; Pucetaite, M.; Sablinskas, V. [Faculty of Physics, Vilnius University, Sauletekio av. 9, block 3, Vilnius, LT-10222 (Lithuania); Cotter, C.; Guirgis, G. A. [Department of Chemistry and Biochemistry, College of Charleston, Charleston, SC 29424 (United States)

2015-03-30

Raman spectra of germacyclohexane in liquid and solid states were recorded and depolarization data obtained. Infrared absorption spectra of the vapor and liquid have been studied. The wavenumbers of the vibrational modes were derived in the harmonic and anharmonic approximation in B3LYP/ccpVTZ calculations. According to the calculations, germacyclohexane exists in the stable chair conformation, whereas a possible twist form should have more than 15 kJ·mol{sup -1} higher enthalpy of formation what makes this conformer experimentally not observable. The 27 A' and 21 A'' fundamentals were assigned on the basis of the calculations and infrared and Raman band intensities, contours of gas phase infrared spectral bands and Raman depolarization measurements. An average discrepancy of ca. 0.77 % was found between the observed and the calculated anharmonic wavenumbers for the 48 modes. Substitution of carbon atom with Ge atom in the cyclohexane ring is reasoning flattening of the ring.

Simulation of attenuated total reflection infrared absorbance spectra: applications to automotive clear coat forensic analysis.

Science.gov (United States)

Lavine, Barry K; Fasasi, Ayuba; Mirjankar, Nikhil; Nishikida, Koichi; Campbell, Jay

2014-01-01

Attenuated total reflection (ATR) is a widely used sampling technique in infrared (IR) spectroscopy because minimal sample preparation is required. Since the penetration depth of the ATR analysis beam is quite shallow, the outer layers of a laminate or multilayered paint sample can be preferentially analyzed with the entire sample intact. For this reason, forensic laboratories are taking advantage of ATR to collect IR spectra of automotive paint systems that may consist of three or more layers. However, the IR spectrum of a paint sample obtained by ATR will exhibit distortions, e.g., band broadening and lower relative intensities at higher wavenumbers, compared with its transmission counterpart. This hinders library searching because most library spectra are measured in transmission mode. Furthermore, the angle of incidence for the internal reflection element, the refractive index of the clear coat, and surface contamination due to inorganic contaminants can profoundly influence the quality of the ATR spectrum obtained for automotive paints. A correction algorithm to allow ATR spectra to be searched using IR transmission spectra of the paint data query (PDQ) automotive database is presented. The proposed correction algorithm to convert transmission spectra from the PDQ library to ATR spectra is able to address distortion issues such as the relative intensities and broadening of the bands, and the introduction of wavelength shifts at lower frequencies, which prevent library searching of ATR spectra using archived IR transmission data.

Quantitative mid-infrared spectra of allene and propyne from room to high temperatures

KAUST Repository

Es-sebbar, Et-touhami; Jolly, A.; Benilan, Y.; Farooq, Aamir

2014-01-01

Allene (a-C3H4; CH2CCH2) and propyne (p-C3H4; CH3C2H) have attracted much interest because of their relevance to the photochemistry in astrophysical environments as well as in combustion processes. Both allene and propyne have strong absorption in the infrared region. In the present work, infrared spectra of a-C3H4 and p-C3H4 are measured in the gas phase at temperatures ranging from 296 to 510 K. The spectra are measured over the 580-3400 cm-1 spectral region at resolutions of 0.08 and 0.25 cm-1 using Fourier Transform Infrared spectroscopy. Absolute integrated intensities of the main infrared bands are determined at room temperature and compared with values derived from literature for both molecules. Integrated band intensities are also determined as a function of temperature in various spectral regions.

Quantitative mid-infrared spectra of allene and propyne from room to high temperatures

KAUST Repository

Es-sebbar, Et-touhami

2014-11-01

Allene (a-C3H4; CH2CCH2) and propyne (p-C3H4; CH3C2H) have attracted much interest because of their relevance to the photochemistry in astrophysical environments as well as in combustion processes. Both allene and propyne have strong absorption in the infrared region. In the present work, infrared spectra of a-C3H4 and p-C3H4 are measured in the gas phase at temperatures ranging from 296 to 510 K. The spectra are measured over the 580-3400 cm-1 spectral region at resolutions of 0.08 and 0.25 cm-1 using Fourier Transform Infrared spectroscopy. Absolute integrated intensities of the main infrared bands are determined at room temperature and compared with values derived from literature for both molecules. Integrated band intensities are also determined as a function of temperature in various spectral regions.

Interrelationship of crystal structure, infrared spectra and physicochemical properties of perovskites

Energy Technology Data Exchange (ETDEWEB)

Bazuev, G V; Shveikin, G P [AN SSSR, Sverdlovsk. Inst. Khimii

1975-12-01

In the range 400-800 cm/sup -1/ a study has been made of infrared absorption spectra of perowskites ABO/sub 3/, where A is a rare-earth element or yttrium, B is Ti or V. A common feature of the infrared absorption spectra of perowskites ABO/sub 3/ is the presence of two intensive wide bands in the range 400-700 cm/sup -1/ one of which (low-frequency) is splitted into two or three components. The spectrum of LaTiO/sub 3/ is distinguished from spectra of other compounds. In the range measured this compound is non-transparent for electromagnetic radiation. On the basis of determination of temperature dependences of the electric resistance it is found that LaTiO/sub 3/ has metallic conductivity unlike other perowskites studied which are semiconductors. The spectrum of EuTiO/sub 3/ also differs from other spectra. It is close in its structure and position of bands to the spectrum of cubic perowskite, SrTiO/sub 3/. The splitting of the low-frequency band into two and in the case of TbVO/sub 3/ into three components is caused by deformation of crystal structures of these compounds. A direct dependence between the value of splitting and the deformation degree is observed.

Emission Lines in the Near-infrared Spectra of the Infrared Quintuplet Stars in the Galactic Center

Energy Technology Data Exchange (ETDEWEB)

Najarro, F. [Departamento de Astrofísica, Centro de Astrobiología (CSIC-INTA), Ctra. Torrejón a Ajalvir km 4, E-28850 Torrejón de Ardoz (Spain); Geballe, T. R. [Gemini Observatory, 670 North A’ohoku Place, Hilo, HI 96720 (United States); Figer, D. F. [Center for Detectors, Rochester Institute of Technology, 74 Lomb Memorial Drive, Rochester, NY 14623 (United States); Fuente, D. de la [Instituto de Astronomía, Unidad Académica en Ensenada, Universidad Nacional Autónoma de México, Ensenada 22860, México (Mexico)

2017-08-20

We report the detection of a number of emission lines in the 1.0–2.4 μ m spectra of four of the five bright-infrared dust-embedded stars at the center of the Galactic center’s (GC) Quintuplet Cluster. Spectroscopy of the central stars of these objects is hampered not only by the large interstellar extinction that obscures all of the objects in the GC, but also by the large amounts of warm circumstellar dust surrounding each of the five stars. The pinwheel morphologies of the dust observed previously around two of them are indicative of Wolf–Rayet colliding wind binaries; however, infrared spectra of each of the five have until now revealed only dust continua steeply rising to long wavelengths and absorption lines and bands from interstellar gas and dust. The emission lines detected, from ionized carbon and from helium, are broad and confirm that the objects are dusty late-type carbon Wolf–Rayet stars.

MID-INFRARED ATOMIC FINE-STRUCTURE EMISSION-LINE SPECTRA OF LUMINOUS INFRARED GALAXIES: SPITZER/IRS SPECTRA OF THE GOALS SAMPLE

Energy Technology Data Exchange (ETDEWEB)

Inami, H. [National Optical Astronomy Observatory, Tucson, AZ 85719 (United States); Armus, L.; Stierwalt, S.; Díaz-Santos, T.; Surace, J.; Howell, J.; Marshall, J. [Spitzer Science Center, California Institute of Technology, CA 91125 (United States); Charmandaris, V. [Department of Physics and Institute of Theoretical and Computational Physics, University of Crete, GR-71003 Heraklion (Greece); Groves, B. [Max Planck Institute for Astronomy, Königstuhl 17, D-69117 Heidelberg (Germany); Kewley, L. [Research School of Astronomy and Astrophysics, The Australian National University, Cotter Road, Weston Creek, ACT 2611 (Australia); Petric, A. [Department of Astronomy, California Institute of Technology, MS 320-47, Pasadena, CA 91125 (United States); Rich, J. [The Observatories, Carnegie Institute of Washington, 813 Santa Barbara Street, Pasadena, CA 91101 (United States); Haan, S. [CSIRO Astronomy and Space Science, Marsfield, NSW 2122 (Australia); Evans, A. S. [Department of Astronomy, University of Virginia, P.O. Box 400325, Charlottesville, VA 22904 (United States); Mazzarella, J.; Lord, S. [Infrared Processing and Analysis Center, MS 100-22, California Institute of Technology, Pasadena, CA 91125 (United States); Appleton, P. [NASA Herschel Science Center, 770 South Wilson Avenue, Pasadena, CA 91125 (United States); Spoon, H. [Astronomy Department, Cornell University, Ithaca, NY 14853 (United States); Frayer, D. [National Radio Astronomy Observatory, P.O. Box 2, Green Bank, WV 24944 (United States); Matsuhara, H., E-mail: inami@noao.edu [Institute of Space and Astronautical Science, Japan Aerospace Exploration Agency (Japan); and others

2013-11-10

We present the data and our analysis of mid-infrared atomic fine-structure emission lines detected in Spitzer/Infrared Spectrograph high-resolution spectra of 202 local Luminous Infrared Galaxies (LIRGs) observed as part of the Great Observatories All-sky LIRG Survey (GOALS). We readily detect emission lines of [S IV], [Ne II], [Ne V], [Ne III], [S III]{sub 18.7{sub μm}}, [O IV], [Fe II], [S III]{sub 33.5{sub μm}}, and [Si II]. More than 75% of these galaxies are classified as starburst-dominated sources in the mid-infrared, based on the [Ne V]/[Ne II] line flux ratios and equivalent width of the 6.2 μm polycyclic aromatic hydrocarbon feature. We compare ratios of the emission-line fluxes to those predicted from stellar photo-ionization and shock-ionization models to constrain the physical and chemical properties of the gas in the starburst LIRG nuclei. Comparing the [S IV]/[Ne II] and [Ne III]/[Ne II] line ratios to the Starburst99-Mappings III models with an instantaneous burst history, the emission-line ratios suggest that the nuclear starbursts in our LIRGs have ages of 1-4.5 Myr, metallicities of 1-2 Z{sub ☉}, and ionization parameters of 2-8 × 10{sup 7} cm s{sup –1}. Based on the [S III]{sub 33.5{sub μm}}/[S III]{sub 18.7{sub μm}} ratios, the electron density in LIRG nuclei is typically one to a few hundred cm{sup –3}, with a median electron density of ∼300 cm{sup –3}, for those sources above the low density limit for these lines. We also find that strong shocks are likely present in 10 starburst-dominated sources of our sample. A significant fraction of the GOALS sources (80) have resolved neon emission-line profiles (FWHM ≥600 km s{sup –1}) and five show clear differences in the velocities of the [Ne III] or [Ne V] emission lines, relative to [Ne II], of more than 200 km s{sup –1}. Furthermore, six starburst and five active galactic nucleus dominated LIRGs show a clear trend of increasing line width with ionization potential

VizieR Online Data Catalog: Low-resolution near-infrared stellar spectra from CIBER (Kim+, 2017)

Science.gov (United States)

Kim, M. G.; Lee, H. M.; Arai, T.; Bock, J.; Cooray, A.; Jeong, W.-S.; Kim, S. J.; Korngut, P.; Lanz, A.; Lee, D. H.; Lee, M. G.; Matsumoto, T.; Matsuura, S.; Nam, U. W.; Onishi, Y.; Shirahata, M.; Smidt, J.; Tsumura, K.; Yamamura, I.; Zemcov, M.

2017-06-01

We present flux-calibrated near-infrared spectra of 105 stars from 0.8{skin, we do not use the first flight data in this work. The star spectral types are determined by fitting known spectral templates to the measured LRS spectra. We use the Infrared Telescope Facility (IRTF) and Pickles 1998 (Cat. J/PASP/110/863) templates for the SED fitting. The SpeX instrument installed on the IRTF observed stars using a medium-resolution spectrograph (R=2000). The template library contains spectra for 210 cool stars (F to M type) with wavelength coverage from 0.8 to 2.5μm (Cushing 2005ApJ...623.1115C; Rayner 2009ApJS..185..289R). The Pickles library is a synthetic spectral library that combines spectral data from various observations to achieve wavelength coverage from the UV (0.115μm) to the near-infrared (2.5μm). It contains 131 spectral templates for all star types (i.e., O to M type) with a uniform sampling interval of 5Å. (6 data files).

Compositional stratigraphy of crustal material from near-infrared spectra

International Nuclear Information System (INIS)

Pieters, C.M.

1987-01-01

An Earth-based telescopic program to acquire near-infrared spectra of freshly exposed lunar material now contains data for 17 large impact craters with central peaks. Noritic, gabbroic, anorthositic and troctolitic rock types can be distinguished for areas within these large craters from characteristic absorptions in individual spectra of their walls and central peaks. Norites dominate the upper lunar crust while the deeper crustal zones also contain significant amounts of gabbros and anorthosites. Data for material associated with large craters indicate that not only is the lunar crust highly heterogeneous across the nearside, but that the compositional stratigraphy of the lunar crust is nonuniform. Crustal complexity should be expected for other planetary bodies, which should be studied using high spatial and spectral resolution data in and around large impact craters

Compositional stratigraphy of crustal material from near-infrared spectra

Science.gov (United States)

Pieters, Carle M.

1987-01-01

An Earth-based telescopic program to acquire near-infrared spectra of freshly exposed lunar material now contains data for 17 large impact craters with central peaks. Noritic, gabbroic, anorthositic and troctolitic rock types can be distinguished for areas within these large craters from characteristic absorptions in individual spectra of their walls and central peaks. Norites dominate the upper lunar crust while the deeper crustal zones also contain significant amounts of gabbros and anorthosites. Data for material associated with large craters indicate that not only is the lunar crust highly heterogeneous across the nearside, but that the compositional stratigraphy of the lunar crust is nonuniform. Crustal complexity should be expected for other planetary bodies, which should be studied using high spatial and spectral resolution data in and around large impact craters.

The NASA Ames Polycyclic Aromatic Hydrocarbon Infrared Spectroscopic Database : The Computed Spectra

NARCIS (Netherlands)

Bauschlicher, C. W.; Boersma, C.; Ricca, A.; Mattioda, A. L.; Cami, J.; Peeters, E.; de Armas, F. Sanchez; Saborido, G. Puerta; Hudgins, D. M.; Allamandola, L. J.

The astronomical emission features, formerly known as the unidentified infrared bands, are now commonly ascribed to polycyclic aromatic hydrocarbons (PAHs). The laboratory experiments and computational modeling done at the NASA Ames Research Center to create a collection of PAH IR spectra relevant

New indicator for optimal preprocessing and wavelength selection of near-infrared spectra

NARCIS (Netherlands)

Skibsted, E. T. S.; Boelens, H. F. M.; Westerhuis, J. A.; Witte, D. T.; Smilde, A. K.

2004-01-01

Preprocessing of near-infrared spectra to remove unwanted, i.e., non-related spectral variation and selection of informative wavelengths is considered to be a crucial step prior to the construction of a quantitative calibration model. The standard methodology when comparing various preprocessing

THE NASA AMES POLYCYCLIC AROMATIC HYDROCARBON INFRARED SPECTROSCOPIC DATABASE: THE COMPUTED SPECTRA

International Nuclear Information System (INIS)

Bauschlicher, C. W.; Ricca, A.; Boersma, C.; Mattioda, A. L.; Cami, J.; Peeters, E.; Allamandola, L. J.; Sanchez de Armas, F.; Puerta Saborido, G.; Hudgins, D. M.

2010-01-01

The astronomical emission features, formerly known as the unidentified infrared bands, are now commonly ascribed to polycyclic aromatic hydrocarbons (PAHs). The laboratory experiments and computational modeling done at the NASA Ames Research Center to create a collection of PAH IR spectra relevant to test and refine the PAH hypothesis have been assembled into a spectroscopic database. This database now contains over 800 PAH spectra spanning 2-2000 μm (5000-5 cm -1 ). These data are now available on the World Wide Web at www.astrochem.org/pahdb. This paper presents an overview of the computational spectra in the database and the tools developed to analyze and interpret astronomical spectra using the database. A description of the online and offline user tools available on the Web site is also presented.

Source brightness fluctuation correction of solar absorption fourier transform mid infrared spectra

Directory of Open Access Journals (Sweden)

T. Ridder

2011-06-01

Full Text Available The precision and accuracy of trace gas observations using solar absorption Fourier Transform infrared spectrometry depend on the stability of the light source. Fluctuations in the source brightness, however, cannot always be avoided. Current correction schemes, which calculate a corrected interferogram as the ratio of the raw DC interferogram and a smoothed DC interferogram, are applicable only to near infrared measurements. Spectra in the mid infrared spectral region below 2000 cm⁻¹ are generally considered uncorrectable, if they are measured with a MCT detector. Such measurements introduce an unknown offset to MCT interferograms, which prevents the established source brightness fluctuation correction. This problem can be overcome by a determination of the offset using the modulation efficiency of the instrument. With known modulation efficiency the offset can be calculated, and the source brightness correction can be performed on the basis of offset-corrected interferograms. We present a source brightness fluctuation correction method which performs the smoothing of the raw DC interferogram in the interferogram domain by an application of a running mean instead of high-pass filtering the corresponding spectrum after Fourier transformation of the raw DC interferogram. This smoothing can be performed with the onboard software of commercial instruments. The improvement of MCT spectra and subsequent ozone profile and total column retrievals is demonstrated. Application to InSb interferograms in the near infrared spectral region proves the equivalence with the established correction scheme.

Infrared and Raman Spectra of Magnesium Ammonium Phosphate Hexahydrate (Struvite) and its Isomorphous Analogues. VIII. Spectra of Protiated and Partially Deuterated Magnesium Rubidium Phosphate Hexahydrate and Magnesium Thallium Phosphate Hexahydrate.

Science.gov (United States)

Soptrajanov, Bojan; Cahil, Adnan; Najdoski, Metodija; Koleva, Violeta; Stefov, Viktor

2011-09-01

The infrared and Raman spectra of magnesium rubidium phosphate hexahydrate MgRbPO4 • 6H2O and magnesium thallium phosphate hexahydrate, MgTlPO4 • 6H2O were recorded at room temperature (RT) and the boiling temperature of liquid nitrogen (LNT). To facilitate their analysis, also recorded were the spectra of partially deuterated analogues with varying content of deuterium. The effects of deuteration and those of lowering the temperature were the basis of the conclusions drawn regarding the origin of the observed bands which were assigned to vibrations which are predominantly localized in the water molecules (four crystallographically different types of such molecules exist in the structures) and those with PO43- character. It was concluded that in some cases coupling of phosphate and water vibrations is likely to take place. The appearance of the infrared spectra in the O-H stretching regions of the infrared spectra is explained as being the result of an extensive overlap of bands due to components of the fundamental stretching modes of the H2O units with a possible participation of bands due to second-order transitions. A broad band reminiscent of the B band of the well-known ABC trio characteristic of spectra of substances containing strong hydrogen bonds in their structure was found around 2400 cm-1 in the infrared spectra of the two studied compounds.

Fourier transform infrared emission spectra of atomic rubidium: g- and h-states

Czech Academy of Sciences Publication Activity Database

Civiš, Svatopluk; Ferus, Martin; Kubelík, Petr; Chernov, Vladislav E.; Zanozina, Ekaterina M.

2012-01-01

Roč. 45, č. 17 (2012), s. 175002 ISSN 0953-4075 R&D Projects: GA AV ČR IAAX00100903 Institutional support: RVO:61388955 Keywords : Fourier transform infrared emission spectra * atomic rubidium * physical chemistry Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.031, year: 2012

Retrieval of leaf water content spanning the visible to thermal infrared spectra

CSIR Research Space (South Africa)

Ullah, S

2014-05-01

Full Text Available ; Hunt and Rock 1989; Sepulcre-Cantó et al. 2006). 45 Retrieving leaf water content using remote sensing data, has been widely investigated in the 46 visible near infrared (VNIR) and shortwave infrared (SWIR) spectra (Thomas et al. 1971; 47 Danson et..., USA: NASA / GSFC 400 Savitzky, A., & Golay, M.J.E. (1964). Smoothing and differentiation of data by simplified Least 401 squares procedures. Analytical Chemistry, 36, 1627-1639 402 Sepulcre-Cantó, G., Zarco-Tejada, P.J., Jiménez-Muñoz, J.C., Sobrino...

A climate index derived from satellite measured spectral infrared radiation. Ph.D. Thesis

Science.gov (United States)

Abel, M. D.; Fox, S. K.

1982-01-01

The vertical infrared radiative emitting structure (VIRES) climate index, based on radiative transfer theory and derived from the spectral radiances typically used to retrieve temperature profiles, is introduced. It is assumed that clouds and climate are closely related and a change in one will result in a change in the other. The index is a function of the cloud, temperature, and moisture distributions. It is more accurately retrieved from satellite data than is cloudiness per se. The VIRES index is based upon the shape and relative magnitude of the broadband weighting function of the infrared radiative transfer equation. The broadband weighting curves are retrieved from simulated satellite infrared sounder data (spectral radiances). The retrieval procedure is described and the error error sensitivities of the method investigated. Index measuring options and possible applications of the VIRES index are proposed.

Correlation of quality measurements to visible-near infrared spectra of pasteurized egg

Science.gov (United States)

A twelve week study was conducted on the egg albumen from both pasteurized and non-pasteurized shell eggs using visible-near infrared spectroscopy. Correlation of the chemical changes detected in the spectra to the measurement of Haugh units (measure of interior egg quality) was carried out using ch...

DERIVING METALLICITIES FROM THE INTEGRATED SPECTRA OF EXTRAGALACTIC GLOBULAR CLUSTERS USING THE NEAR-INFRARED CALCIUM TRIPLET

International Nuclear Information System (INIS)

Foster, Caroline; Forbes, Duncan A.; Proctor, Robert N.; Spitler, Lee R.; Strader, Jay; Brodie, Jean P.

2010-01-01

The Ca II triplet (CaT) feature in the near-infrared has been employed as a metallicity indicator for individual stars as well as integrated light of Galactic globular clusters (GCs) and galaxies with varying degrees of success, and sometimes puzzling results. Using the DEIMOS multi-object spectrograph on Keck we obtain a sample of 144 integrated light spectra of GCs around the brightest group galaxy NGC 1407 to test whether the CaT index can be used as a metallicity indicator for extragalactic GCs. Different sets of single stellar population models make different predictions for the behavior of the CaT as a function of metallicity. In this work, the metallicities of the GCs around NGC 1407 are obtained from CaT index values using an empirical conversion. The measured CaT/metallicity distributions show unexpected features, the most remarkable being that the brightest red and blue GCs have similar CaT values despite their large difference in mean color. Suggested explanations for this behavior in the NGC 1407 GC system are (1) the CaT may be affected by a population of hot blue stars, (2) the CaT may saturate earlier than predicted by the models, and/or (3) color may not trace metallicity linearly. Until these possibilities are understood, the use of the CaT as a metallicity indicator for the integrated spectra of extragalactic GCs will remain problematic.

Visible and near-infrared (0.4-2.5 μm) reflectance spectra of playa evaporite minerals

Science.gov (United States)

Crowley, James K.

1991-01-01

Visible and near-infrared (VNIR; 0.4–2.4 μm) reflectance spectra were recorded for 35 saline minerals that represent the wide range of mineral and brine chemical compositions found in playa evaporite settings. The spectra show that many of the saline minerals exhibit diagnostic near-infrared absorption bands, chiefly attributable to vibrations of hydrogen-bonded structural water molecules. VNIR reflectance spectra can be used to detect minor hydrate phases present in mixtures dominated by anhydrous halite or thenardite, and therefore will be useful in combination with X ray diffraction data for characterizing natural saline mineral assemblages. In addition, VNIR reflectance spectra are sensitive to differences in sample hydration state and should facilitate in situ studies of minerals that occur as fragile, transitory dehydration products in natural salt crusts. The use of spectral reflectance measurements in playa studies should aid in mapping evaporite mineral distributions and may provide insight into the geochemical and hydrological controls on playa mineral and brine development.

Infrared spectra of hexamethylbenzene—tetracyanoethylene complexes at high pressures

Science.gov (United States)

Yamada, Haruka; Saheki, Masao

Infrared spectra of hexamethylbenzene(HMB)—tetracyanoethylene(TCNE), 1:1 and 2:1, complexes were measured under high pressures, 11˜4,000 bar. It was found that the CC stretching (A g) band of TCNE became much stronger at high pressures than at 1 bar and that the intensity increase of this band was especially large for both of the complexes. Based on these facts the strong appearance of the CC band at 1 bar, which is inconsistent with the symmetry consideration derived from X-ray analysis, can be discussed.

A New Indicator for Optimal Preprocessing and Wavelengths Selection of Near-Infrared Spectra

NARCIS (Netherlands)

Skibsted, E.; Boelens, H.F.M.; Westerhuis, J.A.; Witte, D.T.; Smilde, A.K.

2004-01-01

Preprocessing of near-infrared spectra to remove unwanted, i.e., non-related spectral variation and selection of informative wavelengths is considered to be a crucial step prior to the construction of a quantitative calibration model. The standard methodology when comparing various preprocessing

Improved assignments of the vibrational fundamental modes of ortho -, meta -, and para -xylene using gas- and liquid-phase infrared and Raman spectra combined with ab initio calculations: Quantitative gas-phase infrared spectra for detection

Energy Technology Data Exchange (ETDEWEB)

Lindenmaier, Rodica; Scharko, Nicole K.; Tonkyn, Russell G.; Nguyen, Kiet T.; Williams, Stephen D.; Johnson, Timothy J.

2017-07-25

Xylenes contain a blend of the ortho-, meta-, and para- isomers, and all are abundant contaminants in the ground, surface waters, and air. To better characterize xylene and to better enable its detection, we report high quality quantitative vapor-phase infrared spectra of all three isomers over the 540-6500 cm^-1 range. All fundamental vibrational modes are assigned based on these vapor-phase infrared spectra, liquid-phase infrared and Raman spectra, along with density functional theory (DFT), ab initio MP2 and high energy-accuracy compound theoretical model (W1BD) calculations. Both MP2 and DFT predict a single conformer with C_2v symmetry for ortho-xylene, and two conformers each for meta- and para-xylene, depending on the preferred orientations of the methyl groups. For meta-xylene the two conformers have C_s and C₂ symmetry, and for para-xylene these conformers have C_2v or C_2h symmetry. Since the relative population of the two conformers is approximately 50% for both isomers and predicted frequencies and intensities are very similar for each conformer, we made an arbitrary choice to discuss the C_s conformer for meta-xylene and the C_2v conformer for para-xylene. We report integrated band intensities for all isomers. Using the quantitative infrared data, we determine the global warming potential values of each isomer and discuss potential bands for atmospheric monitoring.

Breast Cancer Spatial Heterogeneity in Near-Infrared Spectra and the Prediction of Neoadjuvant Chemotherapy Response

Science.gov (United States)

Santoro, Ylenia

Breast cancer accounts for more than 20% of all female cancers. Many of these patients receive neoadjuvant chemotherapy (NAC) to reduce the size of the tumor before surgery and to anticipate the efficacy of treatments for after the procedure. Breast cancer is a heterogeneous disease that comes in several clinical and histological forms. The prediction of the efficacy of chemotherapy would potentially select good candidates who would respond while excluding poor candidates who would not benefit from treatment. In this work we investigate the possibility of noninvasively predicting chemotherapy response prior to treatment based on optical biomarkers obtained from tumor spatial heterogeneities of spectral features measured using Diffuse Optical Spectroscopy. We describe an algorithm to calculate an index that characterizes spatial differences in broadband near-infrared absorption spectra of tumor-containing breast tissue. Patient-specific tumor spatial heterogeneities are visualized through a Heterogeneity Spectrum (HS). HS is a biomarker that can be attributed to different molecular distributions within the tumor. To classify lesion heterogeneities, we built a Heterogeneity Index (HI) from the HS by weighing specific absorption bands. It has been shown that NAC response is potentially related to tumor heterogeneity. Therefore, we correlate the HI obtained prior to treatment with the final response to NAC. In this thesis we also present a novel digital parallel frequency domain system for tissue imaging. The systems employs a supercontinuum laser with high brightness, and a photomultiplier with a large detection area, both allowing a deep penetration with extremely low power on the sample. The digital parallel acquisition is performed through the use of the Flimbox and it decreases the time required for standard serial systems that need to scan through all modulation frequencies. The all-digital acquisition removes analog noise, avoids the analog mixer and it does not

STELLAR POPULATIONS IN MEDIUM REDSHIFT CLUSTERS .2. OPTICAL-INFRARED PHOTOMETRY AND SPECTRA

NARCIS (Netherlands)

PICKLES, AJ; VANDERKRUIT, PC

1991-01-01

We present optical and infrared photometry (BV RI, J H K) and spectra of galaxies in 6 medium redshift clusters covering the redshift range 0.19 less-than-or-equal-to z less-than-or-equal-to 0.4. The array photometry is used to note the radial distribution of the cluster galaxies with optical and

X-ray spectra of PG quasars. I. The continuum from X-rays to infrared

International Nuclear Information System (INIS)

Elvis, M.; Green, R.F.; Bechtold, J.; Schmidt, M.; Neugebauer, G.; Kitt Peak National Observatory, Tucson, AZ; Steward Observatory, Tucson, AZ; Palomar Observatory, Pasadena, CA)

1986-01-01

Einstein IPC X-ray spectra for a sample of eight optically selected quasars from the Palomar Bright Quasar survey are presented. The quasars have a mean power law energy slope which in five individual cases is inconsistent with the value found in hard X-ray selection criterion rather than luminosity, redshift, or U-B color. New IUE and optical continuum spectra and infrared photometry are presented for these quasars. The data are combined into log vf(v) and log v distributions which support the decomposition of the overall quasar spectrum into a power law plus a superposed optical-UV big bump which may be due to an accretion disk. At least six of the quasars have vf(v)s which are roughly constant between their infrared and X-ray power laws, suggesting a strong link between the two regions. 104 references

Infrared and near infrared emission spectra of TeH and TeD

Science.gov (United States)

Yu, Shanshan; Shayesteh, Alireza; Fu, Dejian; Bernath, Peter F.

2005-04-01

The vibration-rotation emission spectra for the X2Π ground state and the near infrared emission spectra of the X2Π 1/2- X2Π 3/2 system of the TeH and TeD free radicals have been measured at high resolution using a Fourier transform spectrometer. TeH and TeD were generated in a tube furnace with a DC discharge of a flowing mixture of argon, hydrogen (or deuterium), and tellurium vapor. In the infrared region, for the X2Π 3/2 spin component we observed the 1-0, 2-1, and 3-2 vibrational bands for most of the eight isotopologues of TeH and the 1-0 and 2-1 bands for three isotopologues of TeD. For the X2Π 1/2- X2Π 3/2 transition, we observed the 0-0 and 1-1 bands for TeH and the 0-0, 1-1, and 2-2 bands for TeD. Except for a few lines, the tellurium isotopic shift was not resolved for the X2Π 1/2- X2Π 3/2 transitions of TeH and TeD. Local perturbations with Δ v = 2 between the two spin components of the X2Π state of TeH were found: X2Π 1/2, v = 0 with X2Π 3/2, v = 2; X2Π 1/2, v = 1 with X2Π 3/2, v = 3. The new data were combined with the previous data from the literature and two kinds of fits (Hund's case (a) and Hund's case (c)) were carried out for each of the 10 observed isotopologues: 130TeD, 128TeD, 126TeD, 130TeH, 128TeH, 126TeH, 125TeH, 124TeH, 123TeH, and 122TeH.

Rapid, nondestructive estimation of surface polymer layer thickness using attenuated total reflection fourier transform infrared (ATR FT-IR) spectroscopy and synthetic spectra derived from optical principles.

Science.gov (United States)

Weinstock, B André; Guiney, Linda M; Loose, Christopher

2012-11-01

We have developed a rapid, nondestructive analytical method that estimates the thickness of a surface polymer layer with high precision but unknown accuracy using a single attenuated total reflection Fourier transform infrared (ATR FT-IR) measurement. Because the method is rapid, nondestructive, and requires no sample preparation, it is ideal as a process analytical technique. Prior to implementation, the ATR FT-IR spectrum of the substrate layer pure component and the ATR FT-IR and real refractive index spectra of the surface layer pure component must be known. From these three input spectra a synthetic mid-infrared spectral matrix of surface layers 0 nm to 10,000 nm thick on substrate is created de novo. A minimum statistical distance match between a process sample's ATR FT-IR spectrum and the synthetic spectral matrix provides the thickness of that sample. We show that this method can be used to successfully estimate the thickness of polysulfobetaine surface modification, a hydrated polymeric surface layer covalently bonded onto a polyetherurethane substrate. A database of 1850 sample spectra was examined. Spectrochemical matrix-effect unknowns, such as the nonuniform and molecularly novel polysulfobetaine-polyetherurethane interface, were found to be minimal. A partial least squares regression analysis of the database spectra versus their thicknesses as calculated by the method described yielded an estimate of precision of ±52 nm.

Copernicus spectra and infrared photometry of 42 Orionis

International Nuclear Information System (INIS)

Johnson, H.M.; Snow, T.P. Jr.; Gehrz, R.D.; Hackwell, J.A.

1977-01-01

The Orion sword star 42 Ori is embedded in a nebula north of and separated from the Orion nebula. The B1 V star is probably normal. Other members of the multiple remain poorly defined, and the nebula may exhibit some peculiarities that may depend on them. Copernicus ultraviolet spectra of the star are described here, especially in the form of tables of wavelength identifications. The properties of the interstellar material in the line of sight are also discussed. We present infrared photometry which suggests that 3 less than or equal to R less than or equal to 3.5 for the interstellar matter in the direction of 42 Ori. The IR photometry provides no evidence for companion stellar or circumstellar components

Infrared Spectra and Optical Constants of Elusive Amorphous Methane

Science.gov (United States)

Gerakines, Perry A.; Hudson, Reggie L.

2015-01-01

New and accurate laboratory results are reported for amorphous methane (CH4) ice near 10 K for the study of the interstellar medium (ISM) and the outer Solar System. Near- and mid-infrared (IR) data, including spectra, band strengths, absorption coefficients, and optical constants, are presented for the first time for this seldom-studied amorphous solid. The apparent IR band strength near 1300 cm(exp -1) (7.69 micrometer) for amorphous CH4 is found to be about 33% higher than the value long used by IR astronomers to convert spectral observations of interstellar CH4 into CH4 abundances. Although CH4 is most likely to be found in an amorphous phase in the ISM, a comparison of results from various laboratory groups shows that the earlier CH4 band strength at 1300 cm(exp -1) (7.69 micrometer) was derived from IR spectra of ices that were either partially or entirely crystalline CH4 Applications of the new amorphous-CH4 results are discussed, and all optical constants are made available in electronic form.

Infrared Spectra and Band Strengths of CH3SH, an Interstellar Molecule

Science.gov (United States)

Hudson, R. L.

2016-01-01

Three solid phases of CH3SH (methanethiol or methyl mercaptan) have been prepared and their mid-infrared spectra recorded at 10-110 degrees Kelvin, with an emphasis on the 17-100 degrees Kelvin region. Refractive indices have been measured at two temperatures and used to estimate ice densities and infrared band strengths. Vapor pressures for the two crystalline phases of CH3SH at 110 degrees Kelvin are estimated. The behavior of amorphous CH3SH on warming is presented and discussed in terms of Ostwald's step rule. Comparisons to CH3OH under similar conditions are made, and some inconsistencies and ambiguities in the CH3SH literature are examined and corrected.

An IR investigation of solid amorphous ethanol - Spectra, properties, and phase changes

Science.gov (United States)

Hudson, Reggie L.

2017-12-01

Mid- and far-infrared spectra of condensed ethanol (CH3CH2OH) at 10-160 K are presented, with a special focus on amorphous ethanol, the form of greatest astrochemical interest, and with special attention given to changes at 155-160 K. Infrared spectra of amorphous and crystalline forms are shown. The refractive index at 670 nm of amorphous ethanol at 16 K is reported, along with three IR band strengths and a density. A comparison is made to recent work on the isoelectronic compound ethanethiol (CH3CH2SH), and several astrochemical applications are suggested for future study.

Nested structures approach in designing an isotropic negative-index material for infrared

DEFF Research Database (Denmark)

Andryieuski, Andrei; Malureanu, Radu; Lavrinenko, Andrei

2009-01-01

We propose a new generic approach for designing isotropic metamaterial with nested cubic structures. As an example, a three-dimensional isotropic unit cell design "Split Cube in Cage" (SCiC) is shown to exhibit an effective negative refractive index on infrared wavelengths. We report on the refra......We propose a new generic approach for designing isotropic metamaterial with nested cubic structures. As an example, a three-dimensional isotropic unit cell design "Split Cube in Cage" (SCiC) is shown to exhibit an effective negative refractive index on infrared wavelengths. We report...

Preparation and infrared spectra of differently deuterated tetramethyl-derivatives of the IV. main group

International Nuclear Information System (INIS)

Biedermann, S.

1972-01-01

19 different deuterated tetramethyl derivates of the type (CH 3 )sub(4-n)M(CH 3 )sub(n) of C, Si, Ge, Sn and Pb were prepared. Gas cuvettes with polyethylene, NaCl and KBr windows were used to absorb the infra-red spectra, the IR equipment Beckman IR 11 and IR 12 were used. The infra-red spectra of the above mentioned compounds were indicated from 33 to 4,000 cm -1 , the ground, upper and combination vibrations assigned, the PR separations of the partly well resolved rotation-vibration outlines determined and were compared with the calculated PR separations. The revision of the correlations performed by Graham for γsub(s)CH 3 and γsub(as)CH 3 in the race of vibration F 2 with Sn(CH 3 ) 4 and Pb(CH 3 ) 4 and the proposed one with C(CH 3 ) 4 , Si(CH 3 ) 4 and Ge(CH 3 ) 4 could be disproved by the new experimental results. (FW) [de

Infrared-transmission spectra and hydrogen content of hydrogenated amorphous silicon

Science.gov (United States)

Hu, Yuehi; Chen, Guanghua; Wu, Yueying; Yin, Shengyi; Gao, Zhuo; Wang, Qing; Song, Xuemei; Deng, Jinxiang

2004-05-01

In this paper, two kinds of methods of calculating the hydrogen content of a-Si:H thin film by means of the wagging mode and the stretching modes of infrared-transmission spectra, are investigated. The reason for the difference in these two calculation results is analyzed. If the contents of SiH2 and (SiH2) n are indicated in terms of a structure factor F=(/840+/880)//2000, it is shown that the calculation results obtained from the two different methods are almost equal when the refractive index n is approximately 3.4 or the fitting thickness is between 0.71 and 0.89 μm in the case of a small F. It is shown that the ways of fabrication of thin film can influences silicon-hydrogen bonding configuration of a-Si: H film, and different ways of fabrication can lead to different contents of SiH2 and (SiH2) n . The uniformity of the thin film with a big F is bad. In this case, there is great difference between the thickness measured by the SurfCom408A surface profile apparatus and the thickness obtained by fitting the fringes; and the hydrogen contents of a-Si:H films obtained by means of the wagging mode and the stretching modes are different, too. But the fabrication of the MWECR CVD assisted by CAT CVD can effectively restrain the formation of SiH2 and (SiH2) n .

Gas-Phase Infrared Spectra of Vinyl Selenol and Vinyl Tellurol

Science.gov (United States)

Benidar, Abdessamad; Khater, Brahim; Guillemin, Jean-Claude; Gámez, José A.; Yáñez, Manuel

2009-10-01

The infrared spectra (3500-500 cm-1) of gaseous vinyl selenol and vinyl tellurol have been recorded at 0.1 cm-1 resolution. For the latter the spectra were obtained at room temperature, but for the former a temperature of -40 °C was required because of the chemical instability of vinyl selenol at room temperature. To compensate the very weak vapor pressure of vinyl tellurol at room temperature, a long optical path up to 136 m was necessary to record its spectrum. B3LYP density functional theory (DFT) calculations have been performed to assign the different absorption bands. Since an unambiguous assignment of the absorption bands requires a precise knowledge on the relative abundance of the syn and gauche rotamers of these compounds, their relative energies and their anharmonic vibrational frequencies were obtained using a very extended Def2-QZVP basis set. Two rotamers, the syn, which is planar, and a nonplanar gauche, were found to be local minima for both compounds. The gauche rotamer presents two degenerate conformers, which differ by the position of the SeH (TeH) hydrogen atom above or below the molecular plane. Our theoretical results are in good agreement with the main features of the experimental spectra. Fundamental bands and some combination bands of vinyl selenol and vinyl tellurol were assigned and compared with those of vinyl alcohol and vinyl thiol, whose spectra had been reported previously in the literature.

Influence of temperature on water and aqueous glucose absorption spectra in the near- and mid-infrared regions at physiologically relevant temperatures

DEFF Research Database (Denmark)

Jensen, P.S.; Bak, J.; Andersson-Engels, S.

2003-01-01

transmission cell controlled within 0.02 degreesC. Pathlengths of 50 mum and 0.4 mm were used in the mid- and near-infrared spectral region, respectively. Difference spectra were used to determine the effect of temperature on the water spectra quantitatively. These spectra were obtained by subtracting the 37...... degreesC water spectrum from the spectra measured at other temperatures. The difference spectra reveal that the effect of temperature is highest in the vicinity of the strong absorption bands, with a number of isosbestic points with no temperature dependence and relatively flat plateaus in between......Near- and mid-infrared absorption spectra of pure water and aqueous 1.0 g/dL glucose solutions in the wavenumber range 8000-950 cm(-1) were measured in the temperature range 30-42 C in steps of 2 degreesC. Measurements were carried out with an FT-IR spectrometer and a variable pathlength...

Signal-to-Noise Contribution of Principal Component Loads in Reconstructed Near-Infrared Raman Tissue Spectra

NARCIS (Netherlands)

Grimbergen, M. C. M.; van Swol, C. F. P.; Kendall, C.; Verdaasdonk, R. M.; Stone, N.; Bosch, J. L. H. R.

The overall quality of Raman spectra in the near-infrared region, where biological samples are often studied, has benefited from various improvements to optical instrumentation over the past decade. However, obtaining ample spectral quality for analysis is still challenging due to device

Application of class-modelling techniques to infrared spectra for analysis of pork adulteration in beef jerkys.

Science.gov (United States)

Kuswandi, Bambang; Putri, Fitra Karima; Gani, Agus Abdul; Ahmad, Musa

2015-12-01

The use of chemometrics to analyse infrared spectra to predict pork adulteration in the beef jerky (dendeng) was explored. In the first step, the analysis of pork in the beef jerky formulation was conducted by blending the beef jerky with pork at 5-80 % levels. Then, they were powdered and classified into training set and test set. The second step, the spectra of the two sets was recorded by Fourier Transform Infrared (FTIR) spectroscopy using atenuated total reflection (ATR) cell on the basis of spectral data at frequency region 4000-700 cm(-1). The spectra was categorised into four data sets, i.e. (a) spectra in the whole region as data set 1; (b) spectra in the fingerprint region (1500-600 cm(-1)) as data set 2; (c) spectra in the whole region with treatment as data set 3; and (d) spectra in the fingerprint region with treatment as data set 4. The third step, the chemometric analysis were employed using three class-modelling techniques (i.e. LDA, SIMCA, and SVM) toward the data sets. Finally, the best result of the models towards the data sets on the adulteration analysis of the samples were selected and the best model was compared with the ELISA method. From the chemometric results, the LDA model on the data set 1 was found to be the best model, since it could classify and predict 100 % accuracy of the sample tested. The LDA model was applied toward the real samples of the beef jerky marketed in Jember, and the results showed that the LDA model developed was in good agreement with the ELISA method.

Size Effect on the Infrared Spectra of Condensed Media under Conditions of 1D, 2D, and 3D Dielectric Confinement

KAUST Repository

Shaganov, Igor I.

2010-10-07

The effect of dielectric confinement on the peak position of intramolecular and a lattice vibration in the infrared spectra of various condensed media is investigated. Liquid benzene, carbon disulfide, and chloroform, as well as amorphous SiO2 and microcrystalline MgO particles, were characterized in this study. The absorption spectra of organic liquids and aqueous solutions of a silica submicrometer powder were measured under a variety of dielectric confinement configurations using Fourier transform Infrared spectroscopy. A significant shift of the resonant absorption band of liquid mesoparticles has been observed under dielectric confinement, which is in good agreement with model predictions. A corresponding expression for the dielectric loss spectrum of an absorbing composite medium was obtained using a Maxwell-Garnett generalized equation for the cases of one, two, and three-dimensional dielectric confinement in both ordered and disordered thin layers (disks), rods (wires or needles), and spheres of an absorbing medium. The experimental data on peak positions obtained from the infrared spectra of the organic liquids investigated in this work, as well as from the infrared spectra of amorphous quartz spherical particles and rods, are in good agreement with the calculated data. It is shown using simulations of the absorption spectrum of MgO powder that the approach suggested can be applied under certain conditions to the modeling of the spectra of microcrystalline particles of nonspheroidal shape. © 2010 American Chemical Society.

A setup for simultaneous measurement of infrared spectra and light scattering signals: Watching amyloid fibrils grow from intact proteins

Energy Technology Data Exchange (ETDEWEB)

Li, Yang; Maurer, Jürgen; Roth, Andreas; Vogel, Vitali; Winter, Ernst; Mäntele, Werner, E-mail: maentele@biophysik.uni-frankfurt.de [Institut für Biophysik, Goethe-Universität Frankfurt am Main, Max-von Laue-Straße 1, D-60438 Frankfurt am Main (Germany)

2014-08-15

A setup for the simultaneous measurement of mid-infrared spectra and static light scattering is described that can be used for the analysis of the formation of nanoscale and microscopic aggregates from smaller molecules to biopolymers. It can be easily integrated into sample chambers of infrared spectrometers or combined with laser beams from tunable infrared lasers. Here, its use for the analysis of the formation of amyloid fibrils from intact proteins is demonstrated. The formation of amyloid fibrils or plaques from proteins is a widespread and pathogenetic relevant process, and a number of diseases are caused and correlated with the deposition of amyloid fibrils in cells and tissues. The molecular mechanisms of these transformations, however, are still unclear. We report here the simultaneous measurement of infrared spectra and static light scattering for the analysis of fibril formation from egg-white lysozyme. The transformation of the native form into non-native forms rich in β-sheet structure is measured by analysis of the amide I spectral region in the infrared spectra, which is sensitive for local structures. At the same time, light scattering signals at forward direction as well as the forward/backward ratio, which are sensitive for the number of scattering centers and their approximate sizes, respectively, are collected for the analysis of fibril growth. Thermodynamic and kinetic parameters as well as mechanistic information are deduced from the combination of the two complementary techniques.

A setup for simultaneous measurement of infrared spectra and light scattering signals: Watching amyloid fibrils grow from intact proteins

Science.gov (United States)

Li, Yang; Maurer, Jürgen; Roth, Andreas; Vogel, Vitali; Winter, Ernst; Mäntele, Werner

2014-08-01

A setup for the simultaneous measurement of mid-infrared spectra and static light scattering is described that can be used for the analysis of the formation of nanoscale and microscopic aggregates from smaller molecules to biopolymers. It can be easily integrated into sample chambers of infrared spectrometers or combined with laser beams from tunable infrared lasers. Here, its use for the analysis of the formation of amyloid fibrils from intact proteins is demonstrated. The formation of amyloid fibrils or plaques from proteins is a widespread and pathogenetic relevant process, and a number of diseases are caused and correlated with the deposition of amyloid fibrils in cells and tissues. The molecular mechanisms of these transformations, however, are still unclear. We report here the simultaneous measurement of infrared spectra and static light scattering for the analysis of fibril formation from egg-white lysozyme. The transformation of the native form into non-native forms rich in β-sheet structure is measured by analysis of the amide I spectral region in the infrared spectra, which is sensitive for local structures. At the same time, light scattering signals at forward direction as well as the forward/backward ratio, which are sensitive for the number of scattering centers and their approximate sizes, respectively, are collected for the analysis of fibril growth. Thermodynamic and kinetic parameters as well as mechanistic information are deduced from the combination of the two complementary techniques.

Infrared dispersion analysis and Raman scattering spectra of taurine single crystals

Science.gov (United States)

Moreira, Roberto L.; Lobo, Ricardo P. S. M.; Dias, Anderson

2018-01-01

A comprehensive set of optical vibrational modes of monoclinic taurine crystals was determined by Raman scattering, and infrared reflectivity and transmission spectroscopies. By using appropriate scattering/reflection geometries, the vibrational modes were resolved by polarization and the most relevant modes of the crystal could be assigned. In particular, we were able to review the symmetry of the gerade modes and to resolve ambiguities in the literature. Owing to the non-orthogonal character of Bu modes in monoclinic crystals (lying on the optic axial plane), we carried out a generalized Lorentz dispersion analysis consisting of simultaneous adjust of infrared-reflectivity spectra at various light polarization angles. The Au modes (parallel to the C2-axis) were treated within the classical Lorentz model. The behavior of off-diagonal and diagonal terms of the complex dielectric tensors and the presence of anomalous dispersion were discussed as consequences of the low symmetry of the crystal.

Thermal Infrared Spectra of Microcrystalline Sedimentary Phases: Effects of Natural Surface Roughness on Spectral Feature Shape

Science.gov (United States)

Hardgrove, C.; Rogers, A. D.

2012-03-01

Thermal infrared spectral features of common microcrystalline phases (chert, alabaster, micrite) are presented. Spectra are sensitive to mineralogy and micron-scale (~1-25 µm) surface roughness. Roughness is on the scale of the average crystal size.

LOCAL LUMINOUS INFRARED GALAXIES. II. ACTIVE GALACTIC NUCLEUS ACTIVITY FROM SPITZER/INFRARED SPECTROGRAPH SPECTRA

Energy Technology Data Exchange (ETDEWEB)

Alonso-Herrero, Almudena; Pereira-Santaella, Miguel [Centro de Astrobiologia, INTA-CSIC, E-28850 Torrejon de Ardoz, Madrid (Spain); Rieke, George H. [Steward Observatory, University of Arizona, Tucson, AZ 85721 (United States); Rigopoulou, Dimitra [Astrophysics Department, University of Oxford, Oxford OX1 3RH (United Kingdom)

2012-01-01

We quantify the active galactic nucleus (AGN) contribution to the mid-infrared (mid-IR) and the total infrared (IR, 8-1000 {mu}m) emission in a complete volume-limited sample of 53 local luminous infrared galaxies (LIRGs, L{sub IR} = 10{sup 11}-10{sup 12} L{sub Sun }). We decompose the Spitzer Infrared Spectrograph low-resolution 5-38 {mu}m spectra of the LIRGs into AGN and starburst components using clumpy torus models and star-forming galaxy templates, respectively. We find that 50% (25/50) of local LIRGs have an AGN component detected with this method. There is good agreement between these AGN detections through mid-IR spectral decomposition and other AGN indicators, such as the optical spectral class, mid-IR spectral features, and X-ray properties. Taking all the AGN indicators together, the AGN detection rate in the individual nuclei of LIRGs is {approx}62%. The derived AGN bolometric luminosities are in the range L{sub bol}(AGN) = (0.4-50) Multiplication-Sign 10{sup 43} erg s{sup -1}. The AGN bolometric contribution to the IR luminosities of the galaxies is generally small, with 70% of LIRGs having L{sub bol}[AGN]/L{sub IR} {<=} 0.05. Only {approx_equal} 8% of local LIRGs have a significant AGN bolometric contribution L{sub bol}[AGN]/L{sub IR} > 0.25. From the comparison of our results with literature results of ultraluminous infrared galaxies (L{sub IR} = 10{sup 12}-10{sup 13} L{sub Sun }), we confirm that in the local universe the AGN bolometric contribution to the IR luminosity increases with the IR luminosity of the galaxy/system. If we add up the AGN bolometric luminosities we find that AGNs only account for 5%{sub -3%}{sup +8%} of the total IR luminosity produced by local LIRGs (with and without AGN detections). This proves that the bulk of the IR luminosity of local LIRGs is due to star formation activity. Taking the newly determined IR luminosity density of LIRGs in the local universe, we then estimate an AGN IR luminosity density of {Omega}{sup AGN

FBRDLR: Fast blind reconstruction approach with dictionary learning regularization for infrared microscopy spectra

Science.gov (United States)

Liu, Tingting; Liu, Hai; Chen, Zengzhao; Chen, Yingying; Wang, Shengming; Liu, Zhi; Zhang, Hao

2018-05-01

Infrared (IR) spectra are the fingerprints of the molecules, and the spectral band location closely relates to the structure of a molecule. Thus, specimen identification can be performed based on IR spectroscopy. However, spectrally overlapping components prevent the specific identification of hyperfine molecular information of different substances. In this paper, we propose a fast blind reconstruction approach for IR spectra, which is based on sparse and redundant representations over a dictionary. The proposed method recovers the spectrum with the discrete wavelet transform dictionary on its content. The experimental results demonstrate that the proposed method is superior because of the better performance when compared with other state-of-the-art methods. The method the authors used remove the instrument aging issue to a large extent, thus leading the reconstruction IR spectra a more convenient tool for extracting features of an unknown material and interpreting it.

High-Resolution Infrared and Raman Spectra of the Polycrystalline Sinomenine Hydrochloride

Directory of Open Access Journals (Sweden)

Liu Xiao-Dong

2016-01-01

Full Text Available High-resolution infrared and Raman spectra of the polycrystalline sinomenine (SM hydrochloride have been measured to work out its whole really existing vibrational spectral bands. Except for the hydroxyl stretching modes and IR active bands less than 400 cm−1, most normal modes (about 34 are both IR and Raman active. In addition, 8 Raman bands less than 400 cm−1 are tentatively assigned, for the first time to our knowledge, to stretching/bending modes of the aromatic-ring−methoxyls and (SMH+–Cl− ions, respectively.

Use of middle infrared radiation to estimate the leaf area index of a boreal forest

Energy Technology Data Exchange (ETDEWEB)

Boyd, D.S. [Kingston Univ., Surrey (United Kingdom). Centre for Earth and Environmental Science Research, School of Geography; Wicks, T. E.; Curran, P.J. [Southampton Univ., Southampton, Hampshire (United Kingdom). Dept. of Geography

2000-06-01

Reflected radiation recorded by satellite sensors is a common procedure to estimate the leaf area index (LAI) of boreal forest. The normalized difference vegetation index (NDVI), derived from measurements of visible and near infrared radiation were commonly used to estimate LAI. But research in tropical forest has shown that LAI is more closely related to radiation of middle infrared wavelengths than that of visible wavelengths. This research calculated a vegetation index (VI3) using radiation from vegetation recorded at near and middle infrared wavelengths. In the case of boreal forest, VI3 and LAI displayed a closer relationship than NDVI and LAI. Also, the use of VI3 explained approximately 76 per cent of the variation in field estimates of LAI, versus approximately 46 per cent for NDVI. The authors concluded that consideration should be given to information provided by middle infrared radiation to estimate the leaf area index of boreal forest. The research area was located in the Southern Study Area (SSA) of the BOReal Ecosystem-Atmospher Study (BOREAS), situated on the southern edge of the Canadian boreal forest, 40 km north of Prince Albert, Saskatchewan. 1 tab., 4 figs., 46 refs.

THE REINCARNATION OF INTERSTELLAR DUST: THE IMPORTANCE OF ORGANIC REFRACTORY MATERIAL IN INFRARED SPECTRA OF COMETARY COMAE AND CIRCUMSTELLAR DISKS

Energy Technology Data Exchange (ETDEWEB)

Kimura, Hiroshi, E-mail: hiroshi_kimura@cps-jp.org [Graduate School of Science, Kobe University, c/o CPS (Center for Planetary Science), Chuo-ku Minatojima Minamimachi 7-1-48, Kobe 650-0047 (Japan)

2013-09-20

We consider the reincarnation of interstellar dust to be reborn in protoplanetary disks as aggregates consisting of submicron-sized grains with a crystalline or amorphous silicate core and an organic-rich carbonaceous mantle. We find that infrared spectra of reincarnated interstellar dust reproduce emission peaks at correct wavelengths where the peaks were observed in cometary comae, debris disks, and protoplanetary disks if the volume fraction of organic refractory meets the constraints on elemental abundances. We discuss what we can learn from the infrared spectra of reincarnated interstellar dust in cometary comae and circumstellar disks.

The Reincarnation of Interstellar Dust: The Importance of Organic Refractory Material in Infrared Spectra of Cometary Comae and Circumstellar Disks

Science.gov (United States)

Kimura, Hiroshi

2013-09-01

We consider the reincarnation of interstellar dust to be reborn in protoplanetary disks as aggregates consisting of submicron-sized grains with a crystalline or amorphous silicate core and an organic-rich carbonaceous mantle. We find that infrared spectra of reincarnated interstellar dust reproduce emission peaks at correct wavelengths where the peaks were observed in cometary comae, debris disks, and protoplanetary disks if the volume fraction of organic refractory meets the constraints on elemental abundances. We discuss what we can learn from the infrared spectra of reincarnated interstellar dust in cometary comae and circumstellar disks.

THE REINCARNATION OF INTERSTELLAR DUST: THE IMPORTANCE OF ORGANIC REFRACTORY MATERIAL IN INFRARED SPECTRA OF COMETARY COMAE AND CIRCUMSTELLAR DISKS

International Nuclear Information System (INIS)

Kimura, Hiroshi

2013-01-01

We consider the reincarnation of interstellar dust to be reborn in protoplanetary disks as aggregates consisting of submicron-sized grains with a crystalline or amorphous silicate core and an organic-rich carbonaceous mantle. We find that infrared spectra of reincarnated interstellar dust reproduce emission peaks at correct wavelengths where the peaks were observed in cometary comae, debris disks, and protoplanetary disks if the volume fraction of organic refractory meets the constraints on elemental abundances. We discuss what we can learn from the infrared spectra of reincarnated interstellar dust in cometary comae and circumstellar disks

Estimation of raw material performance in mammalian cell culture using near infrared spectra combined with chemometrics approaches.

Science.gov (United States)

Lee, Hae Woo; Christie, Andrew; Liu, Jun Jay; Yoon, Seongkyu

2012-01-01

Understanding variability in raw materials and their impacts on product quality is of critical importance in the biopharmaceutical manufacturing processes. For this purpose, several spectroscopic techniques have been studied for raw material characterization, providing fast and nondestructive ways to measure quality of raw materials. However, investigations of correlation between spectra of raw materials and cell culture performance have been scarce due to their complexity and uncertainty. In this study, near-infrared spectra and bioassays of multiple soy hydrolysate lots manufactured by different vendors were analyzed using chemometrics approaches in order to address variability of raw materials as well as correlation between raw material properties and corresponding cell culture performance. Principal component analysis revealed that near-infrared spectra of different soy lots contain enough physicochemical information about soy hydrolysates to allow identification of lot-to-lot variability as well as vendor-to-vendor differences. The identified compositional variability was further analyzed in order to estimate cell growth and protein production of two mammalian cell lines under the condition of varying soy dosages using partial least square regression combined with optimal variable selection. The performance of the resulting models demonstrates the potential of near-infrared spectroscopy as a robust lot selection tool for raw materials while providing a biological link between chemical composition of raw materials and cell culture performance. Copyright © 2012 American Institute of Chemical Engineers (AIChE).

Reconstruction of fiber grating refractive-index profiles from complex bragg reflection spectra.

Science.gov (United States)

Huang, D W; Yang, C C

1999-07-20

Reconstruction of the refractive-index profiles of fiber gratings from their complex Bragg reflection spectra is experimentally demonstrated. The amplitude and phase of the complex reflection spectrum were measured with a balanced Michelson interferometer. By integrating the coupled-mode equations, we built the relationship between the complex coupling coefficient and the complex reflection spectrum as an iterative algorithm for reconstructing the index profile. This method is expected to be useful for reconstructing the index profiles of fiber gratings with any apodization, chirp, or dc structures. An apodized chirped grating and a uniform grating with a depression of index modulation were used to demonstrate the technique.

Chemometric correlation of shelf life, quality measurements, and visible-near infrared spectra of pasteurized eggs

Science.gov (United States)

A twelve week study was conducted on the egg albumen from both pasteurized and non-pasteurized shell eggs using visible-near infrared spectroscopy. Correlation of the chemical changes detected in the spectra to the measurement of Haugh units (measure of interior egg quality) was carried out using pr...

Sulfur Speciation of Crude Oils by Partial Least Squares Regression Modeling of Their Infrared Spectra

NARCIS (Netherlands)

de Peinder, P.; Visser, T.; Wagemans, R.W.P.; Blomberg, J.; Chaabani, H.; Soulimani, F.; Weckhuysen, B.M.

2013-01-01

Research has been carried out to determine the feasibility of partial least-squares regression (PLS) modeling of infrared (IR) spectra of crude oils as a tool for fast sulfur speciation. The study is a continuation of a previously developed method to predict long and short residue properties of

A CATALOG OF NEAR-INFRARED SPECTRA FROM TYPE Ia SUPERNOVAE

International Nuclear Information System (INIS)

Marion, G. H.; Wheeler, J. C.; Robinson, E. L.; Hoeflich, P.; Gerardy, C. L.; Vacca, W. D.

2009-01-01

We present 41 near-infrared (NIR, 0.7-2.5 μm) spectra from normal Type Ia supernovae (SNe Ia) obtained at epochs ranging from 14 days before to 75 days with respect to the maximum light date in the V band. All data were obtained at the Infrared Telescope Facility using the SpeX instrument. We identify many spectral features, measure the Doppler velocities, and discuss the chemical distribution of explosion products in SNe Ia. We describe procedures for smoothing data, fitting continua, and measuring absorption features to ensure consistency for measurement and analysis. This sample provides the first opportunity to examine and compare a large number of SNe Ia in this wavelength region. NIR data are a rich source of information about explosion products whose signatures are blended or obscured in other spectral regions and NIR observations probe a greater radial depth than optical wavelengths. We analyze similarities and differences in the spectra and we show that the progressive development of spectral features for normal SNe Ia in the NIR is consistent with time. We confirm the presence of O I, Mg II, Ca II, Si II, Fe II, and Co II in these SNe. Possible identifications are made for S I, Si III, Mn II, and Fe III. There is no evidence in these data for H I, He I, C I, or C II. As the explosion products expand and cool, progressively deeper layers are revealed. Thus, a time sequence of spectra examines the chemical structure and provides direct evidence of the physical properties of SNe Ia from the outer layers to deep inside the SN. Measured Doppler velocities indicate that burning products in SNe Ia are distributed in distinct layers with no large-scale mixing. Carbon is not detected in these data, in agreement with previous results with NIR data establishing very low limits on carbon abundance in SNe Ia. Carbon burning products, O and Mg, are plentiful in the outer layers suggesting that the entire progenitor is burned in the explosion. The data provide a

Downwelling Far-Infrared Emission Spectra Measured By First at Cerro Toco, Chile and Table Mountain, California

Science.gov (United States)

Mast, J. C.; Mlynczak, M. G.; Cageao, R.; Kratz, D. P.; Johnson, D. G.; Mlawer, E. J.; Turner, D. D.

2014-12-01

The Far-Infrared Spectroscopy of the Troposphere (FIRST) instrument is a Fourier transform spectrometer developed to measure the important far-infrared spectrum between 100 and 650 cm-1. Presented here are measurements made by FIRST during two successful deployments in a ground-based configuration to measure downwelling longwave radiation at Earth's surface. The initial deployment was to Cerro Toco, Chile, where FIRST operated from August to October, 2009 as part of the Radiative Heating in Underexplored Bands Campaign (RHUBC-II) campaign. After recalibration, FIRST was deployed to the Table Mountain Facility from September through October, 2012. Spectra observed at each location are substantially different, due in large part to the order of magnitude difference in integrated precipitable water vapor (0.3 cm at Table Mountain, 0.03 cm at Cerro Toco). Dry days for both campaigns are chosen for analysis - 09/24/2009 and 10/19/2012. Also available during both deployments are coincident radiosonde temperature and water vapor vertical profiles which are used as inputs a line-by-line radiative transfer program. Comparisons between measured and modeled spectra are presented over the 200 to 800 cm-1 range. An extensive error analysis of both the measured and modeled spectra is presented. In general, the differences between the measured and modeled spectra are within their combined uncertainties.

Analysis of Index Gases of Coal Spontaneous Combustion Using Fourier Transform Infrared Spectrometer

Directory of Open Access Journals (Sweden)

Xiaojun Tang

2014-01-01

Full Text Available Analysis of the index gases of coal for the prevention of spontaneous combustion is of great importance for the enhancement of coal mine safety. In this work, Fourier Transform Infrared Spectrometer (FTIRS is presented to be used to analyze the index gases of coal in real time to monitor spontaneous combustion conditions. Both the instrument parameters and the analysis method are introduced at first by combining characteristics of the absorption spectra of the target analyte with the analysis requirements. Next, more than ten sets of the gas mixture containing ten components (CH4, C2H6, C3H8, iso-C4H10, n-C4H10, C2H4, C3H6, C2H2, CO, and CO2 are included and analyzed with a Spectrum Two FTIRS made by Perkin Elmer. The testing results show that the detection limit of most analytes is less than 2×10-6. All the detection limits meet the monitoring requirements of coal spontaneous combustion in China, which means that FTIRS may be an ideal instrument and the analysis method used in this paper is sufficient for spontaneous combustion gas monitoring on-line and even in situ, since FTIRS has many advantages such as fast analysis, being maintenance-free, and good safety.

Correlation of infrared spectra and phase transitions in annealed proton-exchanged MgO doped LiNbO3

International Nuclear Information System (INIS)

Sun, Jian; Xu, Chang-qing

2015-01-01

Infrared spectra of OH − groups in annealed proton-exchanged (APE) 5 mol. % MgO-doped LiNbO 3 (MgO:LiNbO 3 ) crystals were studied using the Fourier transform infrared spectroscopy technique. Samples were prepared by benzoic acid proton-exchange followed with thermal annealing in oxygen. Evolutions of absorption peaks in APE MgO:LiNbO 3 crystals were recorded and analyzed. Comparing with none-doped APE LiNbO 3 crystals, a different phase transition behavior was found during thermal annealing. A periodically poled MgO:LiNbO 3 slab waveguide was prepared using identical procedures, and the second harmonic generation (SHG) signals were measured. Comparing the obtained SHG results with the infrared spectra, relationships between the phase transitions and the recovery of second-order nonlinear coefficients during thermal annealing were investigated. Finally, a method for optimizing the performance of MgO:LiNbO 3 waveguides was proposed

IR Cards: Inquiry-Based Introduction to Infrared Spectroscopy

Science.gov (United States)

Bennett, Jacqueline; Forster, Tabetha

2010-01-01

As infrared spectroscopy (IR) is frequently used in undergraduate organic chemistry courses, an inductive introduction to IR spectroscopy that uses index cards printed with spectra, structures, and chemical names is described. Groups of students are given an alphabetized deck of these "IR cards" to sort into functional groups. The students then…

Investigating the fermentation of cocoa by correlating denaturing gradient gel electrophoresis profiles and near infrared spectra

DEFF Research Database (Denmark)

Nielsen, Dennis Sandris; Snitkjær, Pia; van der Berg, Franciscus Winfried J

2008-01-01

demonstrating the microbial succession taking place during the fermentation. Subsequently the DGGE spectra were correlated to the NIR spectra using Partial Least Squares regression models (PLS2). Correlations of 0.87 (bacterial derived DGGE spectra) and 0.81 (yeast derived DGGE spectra) were obtained indicating......Raw cocoa has an astringent, unpleasant taste and flavour, and has to be fermented, dried and roasted in order to obtain the characteristic cocoa flavour and taste. During the fermentation microbial activity outside the cocoa beans induces biochemical and physical changes inside the beans...... of the beans and the chemical processes inside the beans have been carried out previously. Recently it has been shown that Denaturing Gradient Gel Electrophoresis (DGGE) offers an efficient tool for monitoring the microbiological changes taking place during the fermentation of cocoa. Near Infrared (NIR...

Vibron Solitons and Soliton-Induced Infrared Spectra of Crystalline Acetanilide

Science.gov (United States)

Takeno, S.

1986-01-01

Red-shifted infrared spectra at low temperatures of amide I (C=O stretching) vibrations of crystalline acetanilide measured by Careri et al. are shown to be due to vibron solitons, which are nonlinearity-induced localized modes of vibrons arising from their nonlinear interactions with optic-type phonons. A nonlinear eigenvalue equation giving the eigenfrequency of stationary solitons is solved approximately by introducing lattice Green's functions, and the obtained result is in good agreement with the experimental result. Inclusion of interactions with acoustic phonons yields the Debye-Waller factor in the zero-phonon line spectrum of vibron solitons, in a manner analogous to the case of impurity-induced localized harmonic phonon modes in alkali halides.

Mid-infrared spectra of cometary dust: the evasion of its silicate mineralogy

Science.gov (United States)

Kimura, H.; Chigai, T.; Yamamoto, T.

2008-04-01

Infrared spectra of dust in cometary comae provide a way to identify its silicate constituents, and this is crucial for correctly understanding the condition under which our planetary system is formed. Recent studies assign a newly detected peak at a wavelength of 9.3 μm to pyroxenes and regard them as the most abundant silicate minerals in comets. Here we dispense with this pyroxene hypothesis to numerically reproduce the infrared features of cometary dust in the framework of our interstellar dust models. Presolar interstellar dust in a comet is modeled as fluffy aggregates consisting of submicrometer-sized organic grains with an amorphous-silicate core that undergoes nonthermal crystallization in a coma. We assert that forsterite (Mg2SiO4) is the carrier of all the observed features, including the 9.3 μm peak and that the major phase of iron is sulfides rather than iron-rich silicates.

Meeting the Cool Neighbors. XII. An Optically Anchored Analysis of the Near-infrared Spectra of L Dwarfs

Science.gov (United States)

Cruz, Kelle L.; Núñez, Alejandro; Burgasser, Adam J.; Abrahams, Ellianna; Rice, Emily L.; Reid, I. Neill; Looper, Dagny

2018-01-01

Discrepancies between competing optical and near-infrared (NIR) spectral typing systems for L dwarfs have motivated us to search for a classification scheme that ties the optical and NIR schemes together, and addresses complexities in the spectral morphology. We use new and extant optical and NIR spectra to compile a sample of 171 L dwarfs, including 27 low-gravity β and γ objects, with spectral coverage from 0.6–2.4 μm. We present 155 new low-resolution NIR spectra and 19 new optical spectra. We utilize a method for analyzing NIR spectra that partially removes the broad-band spectral slope and reveals similarities in the absorption features between objects of the same optical spectral type. Using the optical spectra as an anchor, we generate near-infrared spectral average templates for L0–L8, L0–L4γ, and L0–L1β type dwarfs. These templates reveal that NIR spectral morphologies are correlated with the optical types. They also show the range of spectral morphologies spanned by each spectral type. We compare low-gravity and field-gravity templates to provide recommendations on the minimum required observations for credibly classifying low-gravity spectra using low-resolution NIR data. We use the templates to evaluate the existing NIR spectral standards and propose new ones where appropriate. Finally, we build on the work of Kirkpatrick et al. to provide a spectral typing method that is tied to the optical and can be used when only H or K band data are available. The methods we present here provide resolutions to several long-standing issues with classifying L dwarf spectra and could also be the foundation for a spectral classification scheme for cloudy exoplanets.

Effects of mercury on visible/near-infrared reflectance spectra of mustard spinach plants (Brassica rapa P.)

International Nuclear Information System (INIS)

Dunagan, Sarah C.; Gilmore, Martha S.; Varekamp, Johan C.

2007-01-01

Mustard spinach plants were grown in mercury-spiked and contaminated soils collected in the field under controlled laboratory conditions over a full growth cycle to test if vegetation grown in these soils has discernible characteristics in visible/near-infrared (VNIR) spectra. Foliar Hg concentrations (0.174-3.993 ppm) of the Mustard spinach plants were positively correlated with Hg concentration of soils and varied throughout the growing season. Equations relating foliar Hg concentration to spectral reflectance, its first derivative, and selected vegetation indices were generated using stepwise multiple linear regression. Significant correlations are found for limited wavelengths for specific treatments and dates. Ratio Vegetation Index (RVI) and Red Edge Position (REP) values of plants in Hg-spiked and field-contaminated soils are significantly lower relative to control plants during the early and middle portions of the growth cycle which may be related to lower chlorophyll abundance or functioning in Hg-contaminated plants. - Some spectral characteristics of leaves of Brassica rapa P. may be associated with foliar mercury content

Far-infrared spectra of polycrystalline Ba2YCu3O/sub 9-//sub δ/

International Nuclear Information System (INIS)

Thomas, G.A.; Ng, H.K.; Millis, A.J.; Bhatt, R.N.; Cava, R.J.; Rietman, E.A.; Johnson, D.W. Jr.; Espinosa, G.P.; Vandenberg, J.M.

1987-01-01

We present far-infrared reflectivity spectra of seven samples of ceramic superconductors in the Ba-Y-Cu-O system with transition temperatures near 93 K. We find superconducting gap structures on the basis of which we estimate the ratio of twice the average gap to the transition temperature to be consistent with 3.5, but possibly higher. Questions of normal-state characterization preclude a definitive analysis

Theoretical Study of Infrared and Raman Spectra of Hydrated Magnesium Sulfate Salts

Science.gov (United States)

Chaban, Galina M.; Huo, Winifred M.; Lee, Timothy J.; Kwak, Dochan (Technical Monitor)

2002-01-01

Harmonic and anharmonic vibrational frequencies, as well as infrared and Raman intensities, are calculated for MgSO4.nH20 (n=1-3). Electronic structure theory at the second order Moller-Plesset perturbation theory (MP2) level with a triple-zeta + polarization (TZP) basis set is used to determine the geometry, properties, and vibrational spectra of pure and hydrated MgSO4 salts. The direct vibrational self-consistent field (VSCF) method and its correlation corrected (CC-VSCF) extension are used to determine anharmonic corrections to vibrational frequencies and intensities for the pure MgSO4 and its complex with one water molecule. Very significant differences are found between vibrational of water molecules in complexes with MgSO4 and pure water. Some of the O-H stretching frequencies are shifted to the red very significantly (by up to 1500-2000/cm) upon complexation with magnesium sulfate. They should be observed between 1700 and 3000/cm in a region very different from the corresponding O-H stretch frequency region of pure water (3700-3800/cm). In addition, the SO2 stretching vibrations are found at lower frequency regions than the water vibrations. They can serve as unique identifiers for the presence of sulfate salts. The predicted infrared and Raman spectra should be of valuable help in the design of future missions and analysis of observed data from the ice surface of Jupiter's moon Europa that possibly contains hydrated MgSO4 salts.

Cis- and trans-perfluorodecalin: Infrared spectra, radiative efficiency and global warming potential

Science.gov (United States)

Le Bris, Karine; DeZeeuw, Jasmine; Godin, Paul J.; Strong, Kimberly

2017-12-01

Perfluorodecalin (PFD) is a molecule used in various medical applications for its capacity to dissolve gases. This potent greenhouse gas was detected for the first time in the atmosphere in 2005. We present infrared absorption cross-section spectra of a pure vapour of cis- and trans-perfluorodecalin at a resolution of 0.1 cm-1. Measurements were performed in the 560-3000 cm-1 spectral range using Fourier transform spectroscopy. The spectra have been compared with previous experimental data and theoretical calculations by density functional theory. The new experimental absorption cross-sections have been used to calculate a lifetime-corrected radiative efficiency at 300 K of 0.62 W m-2 ppb-1 and 0.57 W.m-2.ppb-1 for the cis and trans isomers respectively. This leads to a 100-year time horizon global warming potential of 8030 for cis-PFD and 7440 for trans-PFD.

Infrared and Raman spectra of uric acid and its 15N and D labelled compounds

International Nuclear Information System (INIS)

Majoube, Michel

Infrared and Raman spectra of polycrystalline uric acid (2, 6, 8-trioxypurine) 1.3, 7 and 9- 15 N and deuterated analogues have been determined. Band shifts with 15 N substitution and with deuteration are discussed. An assignment of fundamental vibrations of uric acid is proposed from the comparison of the eight isotopically substituted analogues [fr

Infrared absorption spectra of selenate compounds of indium (3)

International Nuclear Information System (INIS)

Kharitonov, Yu.Ya.; Kadoshnikova, N.V.; Tananaev, I.V.

1979-01-01

Obtained and discussed are infrared absorption spectra (400-4000 cm -1 ) of the following indium selenates: In 2 (SeO 4 ) 3 x5H 2 O, In 2 (SeO 4 ) 3 x9H 2 O, NaIn(SeO 4 ) 2 x6H 2 O, NaIn(SeO 4 ) 2 xH 2 O, MIn(SeO 4 ) 2 x4H 2 O (M=NH 4 , K, Rb), CsIn(SeO 4 ) 2 x2H 2 O, Na 3 In(SeO 4 ) 3 x7H 2 O, MIn(SeO 4 ) 2 (M=NH 4 , Na, K, Rb, Cs), M 2 InOH(SeO 4 ) 2 xyH 2 O (M=NH 4 , Na, K, Rb) and K 2 InOD(SeO 4 ) 2 xyD 2 O

MID-INFRARED SPECTRA OF TRANSITIONAL DISKS IN THE CHAMAELEON I CLOUD

International Nuclear Information System (INIS)

Kim, K. H.; Watson, Dan M.; Manoj, P.; Forrest, W. J.; Sargent, B.; McClure, M. K.; Green, J. D.; Harrold, Samuel T.; Furlan, E.; Najita, J.; Espaillat, C.; Calvet, N.; Luhman, K. L.

2009-01-01

We present 5-40 μm Spitzer Infrared Spectrograph spectra of a collection of transitional disks, objects for which the spectral energy distribution (SED) indicates central clearings (holes) or gaps in the dust distribution, in the Chamaeleon I star-forming region. Like their counterparts in the Taurus-Auriga star-forming region that we have previously observed, the spectra of these young objects (1-3 Myr old) reveal that the central clearings or gaps are very sharp-edged, and are surrounded by optically thick dusty disks similar to those around other classical T Tauri stars in the Chamaeleon I association. Also like the Taurus transitional disks, the Chamaeleon I transitional disks have extremely large depletion factors for small dust grains in their gaps, compared to the full accretion disks whose SEDs are represented by the median SED of Class II objects in the region. We find that the fraction of transitional disks in the Chamaeleon I cloud is somewhat higher than that in the Taurus-Auriga cloud, possibly indicating that the frequency of transitional disks, on average, increases with cluster age. We also find a significant correlation between the stellar mass and the radius of the outer edge of the gap. We discuss the disk structures implied by the spectra and the constraints they place on gap-formation mechanisms in protoplanetary disks.

A consensus successive projections algorithm--multiple linear regression method for analyzing near infrared spectra.

Science.gov (United States)

Liu, Ke; Chen, Xiaojing; Li, Limin; Chen, Huiling; Ruan, Xiukai; Liu, Wenbin

2015-02-09

The successive projections algorithm (SPA) is widely used to select variables for multiple linear regression (MLR) modeling. However, SPA used only once may not obtain all the useful information of the full spectra, because the number of selected variables cannot exceed the number of calibration samples in the SPA algorithm. Therefore, the SPA-MLR method risks the loss of useful information. To make a full use of the useful information in the spectra, a new method named "consensus SPA-MLR" (C-SPA-MLR) is proposed herein. This method is the combination of consensus strategy and SPA-MLR method. In the C-SPA-MLR method, SPA-MLR is used to construct member models with different subsets of variables, which are selected from the remaining variables iteratively. A consensus prediction is obtained by combining the predictions of the member models. The proposed method is evaluated by analyzing the near infrared (NIR) spectra of corn and diesel. The results of C-SPA-MLR method showed a better prediction performance compared with the SPA-MLR and full-spectra PLS methods. Moreover, these results could serve as a reference for combination the consensus strategy and other variable selection methods when analyzing NIR spectra and other spectroscopic techniques. Copyright © 2014 Elsevier B.V. All rights reserved.

Optical and Near-infrared Spectra of σ Orionis Isolated Planetary-mass Objects

Energy Technology Data Exchange (ETDEWEB)

Zapatero Osorio, M. R. [Centro de Astrobiología (CSIC-INTA), Crta. Ajalvir km 4, E-28850 Torrejón de Ardoz, Madrid (Spain); Béjar, V. J. S. [Instituto de Astrofísica de Canarias, C/. Vía Láctea s/n, E-38205 La Laguna, Tenerife (Spain); Ramírez, K. Peña, E-mail: mosorio@cab.inta-csic.es, E-mail: vbejar@iac.es, E-mail: karla.pena@uantof.cl [Unidad de Astronomía de la Universidad de Antofagasta, Av. U. de Antofagasta. 02800 Antofagasta (Chile)

2017-06-10

We have obtained low-resolution optical (0.7–0.98 μ m) and near-infrared (1.11–1.34 μ m and 0.8–2.5 μ m) spectra of 12 isolated planetary-mass candidates ( J = 18.2–19.9 mag) of the 3 Myr σ Orionis star cluster with the aim of determining the spectroscopic properties of very young, substellar dwarfs and assembling a complete cluster mass function. We have classified our targets by visual comparison with high- and low-gravity standards and by measuring newly defined spectroscopic indices. We derived L0–L4.5 and M9–L2.5 using high- and low-gravity standards, respectively. Our targets reveal clear signposts of youth, thus corroborating their cluster membership and planetary masses (6–13 M {sub Jup}). These observations complete the σ Orionis mass function by spectroscopically confirming the planetary-mass domain to a confidence level of ∼75%. The comparison of our spectra with BT-Settl solar metallicity model atmospheres yields a temperature scale of 2350–1800 K and a low surface gravity of log g ≈ 4.0 [cm s{sup −2}], as would be expected for young planetary-mass objects. We discuss the properties of the cluster’s least-massive population as a function of spectral type. We have also obtained the first optical spectrum of S Ori 70, a T dwarf in the direction of σ Orionis. Our data provide reference optical and near-infrared spectra of very young L dwarfs and a mass function that may be used as templates for future studies of low-mass substellar objects and exoplanets. The extrapolation of the σ Orionis mass function to the solar neighborhood may indicate that isolated planetary-mass objects with temperatures of ∼200–300 K and masses in the interval 6–13 M {sub Jup} may be as numerous as very low-mass stars.

Far-and mid-infrared properties of carbon layers elaborated by plasma sputtering

Energy Technology Data Exchange (ETDEWEB)

Rousseau, Benoit, E-mail: benoit.rousseau@univ-nantes.fr [Université de Nantes, CNRS, LTN UMR6607, La Chantrerie, Rue Christian Pauc, B.P. 50609, F-44306 Nantes Cedex 3 (France); Ammar, Mohamed Ramzi; Bormann, Denis; Simon, Patrick [CNRS, CEMHTI UPR3079, Université d' Orléans, F-55071 (France); Rabat, Hervé; Brault, Pascal [Université d' Orléans, CNRS, GREMI UMR7344, BP 6744, F-45067 Orléans Cedex 2 (France)

2016-12-30

Highlights: • Magnetron sputtering deposition of columnar, disordered carbon films. • Sputtered carbon films infrared properties are dependent on the local order. • Film texture at the micro-nanoscale explains difference of optical properties. - Abstract: The far-and mid-infrared reflectivity spectra of two carbon layers deposited on pure (100) silicon substrates by DC magnetron sputtering were investigated at room temperature in the 10–5000 cm{sup −1} wavenumber range. Their structural and textural features were also studied by combining Raman spectroscopy, Field Emission Scanning Electron Microscopy (FESEM), High Resolution Transmission Electron Microscopy (HRTEM), X-Ray Reflectivity (XRR) and Rutherford Backscattering Spectroscopy (RBS). The set of results was used to discuss afterwards the influence of the texture on the infrared properties at varying length scale. Thereby, the two layers were found to be heterogeneous as assessed by RBS, XRR and FESEM and their thicknesses had been measured by XRR and FESEM. The information on the structural organization and “crystallite” size was given by Raman spectroscopy. The influence of both the textural and structural parameters on the measured infrared reflectivity spectra was discussed. Finally, a methodology was proposed to recover the intrinsic index of refraction and the intrinsic index of absorption of each layer.

Simulated aging of lubricant oils by chemometric treatment of infrared spectra: potential antioxidant properties of sulfur structures.

Science.gov (United States)

Amat, Sandrine; Braham, Zeineb; Le Dréau, Yveline; Kister, Jacky; Dupuy, Nathalie

2013-03-30

Lubricant oils are complex mixtures of base oils and additives. The evolution of their performance over time strongly depends on its resistance to thermal oxidation. Sulfur compounds revealed interesting antioxidant properties. This study presents a method to evaluate the lubricant oil oxidation. Two samples, a synthetic and a paraffinic base oils, were tested pure and supplemented with seven different sulfur compounds. An aging cell adapted to a Fourier Transform InfraRed (FT-IR) spectrometer allows the continuous and direct analysis of the oxidative aging of base oils. Two approaches were applied to study the oxidation/anti-oxidation phenomena. The first one leads to define a new oxidative spectroscopic index based on a reduced spectral range where the modifications have been noticed (from 3050 to 2750 cm(-1)). The second method is based on chemometric treatments of whole spectra (from 4000 to 400 cm(-1)) to extract underlying information. A SIMPLe-to-use Interactive Self Modeling Analysis (SIMPLISMA) method has been used to identify more precisely the chemical species produced or degraded during the thermal treatment and to follow their evolution. Pure spectra of different species present in oil were obtained without prior information of their existence. The interest of this tool is to supply relative quantitative information reflecting evolution of the relative abundance of the different products over thermal aging. Results obtained by these two ways have been compared to estimate their concordance. Copyright © 2013 Elsevier B.V. All rights reserved.

Time resolved spectra in the infrared absorption and emission from shock heated hydrocarbons

Science.gov (United States)

Bauer, S. H.; Borchardt, D. B.

1990-07-01

We have extended the wavelength range of our previously constructed multichannel, fast recording spectrometer to the mid-infrared. With the initial configuration, using a silicon-diode (photovoltaic) array, we recorded light intensities simultaneously at 20 adjacent wavelengths, each with 20 μs time resolution. For studies in the infrared the silicon diodes are replaced by a 20 element PbSe (photoconducting) array of similar dimensions (1×4 mm/element), cooled by a three-stage thermoelectric device. These elements have useful sensitivities over 1.0-6.7 μm. Three interchangeable gratings in a 1/4 m monochromator cover the following spectral ranges: 1.0-2.5 μm (resolution 33.6 cm-1) 2.5-4.5 μm (16.8 cm-1) 4.0-6.5 μm (16.7 cm-1). Incorporated in the new housing there are individually controlled bias-power sources for each detector, two stages of analogue amplification and a 20-line parallel output to the previously constructed digitizer, and record/hold computer. The immediate application of this system is the study of emission and absorption spectra of shock heated hydrocarbons-C2H2, C4H4 and C6H6-which are possible precursors of species that generate infrared emissions in the interstellar medium. It has been recently proposed that these radiations are due to PAH that emit in the infrared upon relaxation from highly excited states. However, it is possible that such emissions could be due to shock-heated low molecular-weight hydrocarbons, which are known to be present in significant abundances, ejected into the interstellar medium during stellar outer atmospheric eruptions. The full Swan band system appeared in time-integrated emission spectra from shock heated C2H2 (1% in Ar; T5eq~=2500K) no soot was generated. At low resolution the profiles on the high frequency side of the black body maximum show no distinctive features. These could be fitted to Planck curves, with temperatures that declined with time from an initial high that was intermediate between T5 (no

Water Vapor in Titan's Stratosphere from Cassini CIRS Far-Infrared Spectra

Science.gov (United States)

Cottini, V.; Nixon, C. A.; Jennings, D. E.; Anderson, C. M.; Gorius, N.; Bjoraker, G. L.; Coustenis, A.; Teanby, N. A.; Achterberg, R. K.; Bezard, B.;

IR spectra and properties of solid acetone, an interstellar and cometary molecule

Science.gov (United States)

Hudson, Reggie L.; Gerakines, Perry A.; Ferrante, Robert F.

2018-03-01

Mid-infrared spectra of amorphous and crystalline acetone are presented along with measurements of the refractive index and density for both forms of the compound. Infrared band strengths are reported for the first time for amorphous and crystalline acetone, along with IR optical constants. Vapor pressures and a sublimation enthalpy for crystalline acetone also are reported. Positions of 13C-labeled acetone are measured. Band strengths are compared to gas-phase values and to the results of a density-functional calculation. A 73% error in previous work is identified and corrected.

THE INFRARED SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS WITH SOME OR ALL HYDROGEN ATOMS REMOVED

International Nuclear Information System (INIS)

Bauschlicher, Charles W. Jr.; Ricca, Alessandra

2013-01-01

The loss of one hydrogen from C 96 H 24 does not significantly affect the infrared spectra of the neutral, cation, or anion. Excluding a very weak C-C stretching band at 5.1 μm, the loss of two adjacent duo hydrogens does not significantly affect the spectra compared with the parent. Removing all of the hydrogen atoms significantly increases the intensity of the new C-C stretching band, and, for the cation, shifts it to a longer (5.2 μm) wavelength. Observations show a feature near 5.25 μm, which has been attributed to overtone and combination bands from polycyclic aromatic hydrocarbons (PAHs). This current work suggests that dehydrogenated PAHs might also contribute to this band, but its weakness implies that fully dehydrogenated cationic or dicationic species are very rare

Adding a dimension to the infrared spectra of interfaces: 2D SFG spectroscopy via mid-IR pulse shaping

Science.gov (United States)

Zanni, Martin

2012-02-01

Sum-frequency generation spectroscopy provides an infrared spectrum of interfaces and thus has widespread use in the materials and chemical sciences. In this presentation, I will present our recent work in developing a 2D pulse sequence to generate 2D SFG spectra of interfaces, in analogy to 2D infrared spectra used to measure bulk species. To develop this spectroscopy, we have utilized many of the tricks-of-the-trade developed in the 2D IR and 2D Vis communities in the last decade, including mid-IR pulse shaping. With mid-IR pulse shaping, the 2D pulse sequence is manipulated by computer programming in the desired frequency resolution, rotating frame, and signal pathway. We believe that 2D SFG will become an important tool in the interfacial sciences in an analogous way that 2D IR is now being used in many disciplines.

Multivariate curve resolution using a combination of mid-infrared and near-infrared spectra for the analysis of isothermal epoxy curing reaction

Science.gov (United States)

Yamasaki, Hideki; Morita, Shigeaki

2018-05-01

Multivariate curve resolution (MCR) was applied to a hetero-spectrally combined dataset consisting of mid-infrared (MIR) and near-infrared (NIR) spectra collected during the isothermal curing reaction of an epoxy resin. An epoxy monomer, bisphenol A diglycidyl ether (BADGE), and a hardening agent, 4,4‧-diaminodiphenyl methane (DDM), were used for the reaction. The fundamental modes of the Nsbnd H and Osbnd H stretches were highly overlapped in the MIR region, while their first overtones could be independently identified in the NIR region. The concentration profiles obtained by MCR using the hetero-spectral combination showed good agreement with the results of calculations based on the Beer-Lambert law and the mass balance. The band assignments and absorption sites estimated by the analysis also showed good agreement with the results using two-dimensional (2D) hetero-correlation spectroscopy.

Achromatic triplet and athermalized lens assembly for both midwave and longwave infrared spectra

Science.gov (United States)

Kuo, Chih-Wei

2014-02-01

Analytic solutions for finding the achromatic triplet in the midwave and longwave infrared spectra simultaneously are explored. The relationship between the combination of promising refractive materials and the system's optical power is also formulated. The principles for stabilizing the effective focal length of an air-spaced lens group with respect to temperature are explored, and the thermal properties of the optical component and mechanical elements mutually counterbalanced. An optical design based on these achromatic and athermal theories is demonstrated, and the image quality of the lens assembly seems to approach the diffractive limitation.

Correlation of vapor phase infrared spectra and regioisomeric structure in synthetic cannabinoids

Science.gov (United States)

Smith, Lewis W.; Thaxton-Weissenfluh, Amber; Abiedalla, Younis; DeRuiter, Jack; Smith, Forrest; Clark, C. Randall

2018-05-01

The twelve 1-n-pentyl-2-, 3-, 4-, 5-, 6- and 7-(1- and 2-naphthoyl)-indoles each have the same substituents attached to the indole ring, identical elemental composition (C24H23NO) yielding identical nominal and accurate masses. These twelve isomers cover all possible positions of carbonyl bridge substitution for both indole (positons 2-7) and naphthalene rings (positions 1 and 2). Regioisomeric compounds can represent significant challenges for mass based analytical methods however, infrared spectroscopy is a powerful tool for the identification of positional isomers in organic compounds. The vapor phase infrared spectra of these twelve uniquely similar compounds were evaluated in GC-IR experiments. These spectra show the bridge position on the indole ring is a dominating influence over the carbonyl absorption frequency observed for these compounds. Substitution on the pyrrole moiety of the indole ring yields the lowest Cdbnd O frequency values for position 2 and 3 giving a narrow range from 1656 to 1654 cm-1. Carbonyl absorption frequencies are higher when the naphthoyl group is attached to the benzene portion of the indole ring yielding absorption values from 1674 to 1671 cm-1. The aliphatic stretching bands in the 2900 cm-1 region yield a consistent triplet pattern because the N-alkyl substituent tail group remains unchanged for all twelve regioisomers. The asymmetric CH2 stretch is the most intense of these three bands. Changes in positional bonding for both the indole and naphthalene ring systems results in unique patterns within the 700 wavenumber out-of-plane region and these absorption bands are different for all 12 regioisomers.

Infrared spectra of small molecular ions trapped in solid neon

Energy Technology Data Exchange (ETDEWEB)

Jacox, Marilyn E. [Optical Technology Division, National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States)

2015-01-22

The infrared spectrum of a molecular ion provides a unique signature for that species, gives information on its structure, and is amenable to remote sensing. It also serves as a comparison standard for refining ab initio calculations. Experiments in this laboratory trap molecular ions in dilute solid solution in neon at 4.2 K in sufficient concentration for observation of their infrared spectra between 450 and 4000 cm{sup !1}. Discharge-excited neon atoms produce cations by photoionization and/or Penning ionization of the parent molecule. The resulting electrons are captured by other molecules, yielding anions which provide for overall charge neutrality of the deposit. Recent observations of ions produced from C{sub 2}H{sub 4} and BF{sub 3} will be discussed. Because of their relatively large possibility of having low-lying excited electronic states, small, symmetric molecular cations are especially vulnerable to breakdown of the Born-Oppenheimer approximation. Some phenomena which can result from this breakdown will be discussed. Ion-molecule reaction rates are sufficiently high that in some systems absorptions of dimer cations and anions are also observed. When H{sub 2} is introduced into the system, the initially-formed ion may react with it. Among the species resulting from such ion-molecule reactions that have recently been studied are O{sub 4}{sup +}, NH{sub 4}{sup +}, HOCO{sup +}, and HCO{sub 2}{sup !}.

Theoretical study of NMR, infrared and Raman spectra on triple-decker phthalocyanines

Energy Technology Data Exchange (ETDEWEB)

Suzuki, Atsushi; Oku, Takeo [Department of Materials Science, The University of Shiga Prefecture 2500 Hassaka, Hikone, Shiga, 522-8533 (Japan)

2016-02-01

Electronic structures and magnetic properties of multi-decker phthalocyanines were studied by theoretical calculation. Electronic structures, excited processes at multi-states, isotropic chemical shifts of {sup 13}C, {sup 14}N and {sup 1}H-nuclear magnetic resonance (NMR), principle V-tensor in electronic field gradient (EFG) tensor and asymmetry parameters (η), vibration mode in infrared (IR) and Raman spectra of triple-decker phthalocyanines were calculated by density functional theory (DFT) and time-dependent DFT using B3LYP as basis function. Electron density distribution was delocalized on the phthalocyanine rings with electron static potential. Considerable separation of chemical shifts in {sup 13}C, {sup 14}N and {sup 1}H-NMR was originated from nuclear spin interaction between nitrogen and carbon atoms, nuclear quadrupole interaction based on EFG and η of central metal under crystal field. Calculated optical absorption at multi-excited process was derived from overlapping π-orbital on the phthalocyanine rings. The vibration modes in IR and Raman spectra were based on in-plane deformation and stretching vibrations of metal-ligand coordination bond on the deformed structure.

Matrix infrared spectra and electronic structure calculations of the first actinide borylene: FB=ThF(2).

Science.gov (United States)

Wang, Xuefeng; Roos, Björn O; Andrews, Lester

2010-03-14

Laser-ablated Th atoms react with BF(3) during condensation in excess argon at 6 K to form the first actinide borylene (FB=ThF(2)) and actinide-boron multiple bond. Three new product absorptions in the B-F and Th-F stretching regions of matrix infrared spectra are assigned to FB=ThF(2) from comparison to theoretically predicted vibrational frequencies.

Ensemble preprocessing of near-infrared (NIR) spectra for multivariate calibration

International Nuclear Information System (INIS)

Xu Lu; Zhou Yanping; Tang Lijuan; Wu Hailong; Jiang Jianhui; Shen Guoli; Yu Ruqin

2008-01-01

Preprocessing of raw near-infrared (NIR) spectral data is indispensable in multivariate calibration when the measured spectra are subject to significant noises, baselines and other undesirable factors. However, due to the lack of sufficient prior information and an incomplete knowledge of the raw data, NIR spectra preprocessing in multivariate calibration is still trial and error. How to select a proper method depends largely on both the nature of the data and the expertise and experience of the practitioners. This might limit the applications of multivariate calibration in many fields, where researchers are not very familiar with the characteristics of many preprocessing methods unique in chemometrics and have difficulties to select the most suitable methods. Another problem is many preprocessing methods, when used alone, might degrade the data in certain aspects or lose some useful information while improving certain qualities of the data. In order to tackle these problems, this paper proposes a new concept of data preprocessing, ensemble preprocessing method, where partial least squares (PLSs) models built on differently preprocessed data are combined by Monte Carlo cross validation (MCCV) stacked regression. Little or no prior information of the data and expertise are required. Moreover, fusion of complementary information obtained by different preprocessing methods often leads to a more stable and accurate calibration model. The investigation of two real data sets has demonstrated the advantages of the proposed method

Thermally and vibrationally induced conformational isomerizations, infrared spectra, and photochemistry of gallic acid in low-temperature matrices

Energy Technology Data Exchange (ETDEWEB)

Justino, Licínia L. G., E-mail: liciniaj@ci.uc.pt; Reva, Igor; Fausto, Rui [CQC, Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal)

2016-07-07

Near-infrared (near-IR) narrowband selective vibrational excitation and annealing of gallic acid (3,4,5-trihydroxybenzoic acid) isolated in cryogenic matrices were used to induce interconversions between its most stable conformers. The isomerizations were probed by infrared spectroscopy. An extensive set of quantum chemical calculations, carried out at the DFT(B3LYP)/6-311++G(d,p) level of approximation, was used to undertake a detailed analysis of the ground state potential energy surface of the molecule. This investigation of the molecule conformational space allowed extracting mechanistic insights into the observed annealing- or near-IR-induced isomerization processes. The infrared spectra of the two most stable conformers of gallic acid in N{sub 2}, Xe, and Ar matrices were fully assigned. Finally, the UV-induced photochemistry of the matrix isolated compound was investigated.

Thermally and vibrationally induced conformational isomerizations, infrared spectra, and photochemistry of gallic acid in low-temperature matrices

Science.gov (United States)

Justino, Licínia L. G.; Reva, Igor; Fausto, Rui

2016-07-01

Near-infrared (near-IR) narrowband selective vibrational excitation and annealing of gallic acid (3,4,5-trihydroxybenzoic acid) isolated in cryogenic matrices were used to induce interconversions between its most stable conformers. The isomerizations were probed by infrared spectroscopy. An extensive set of quantum chemical calculations, carried out at the DFT(B3LYP)/6-311++G(d,p) level of approximation, was used to undertake a detailed analysis of the ground state potential energy surface of the molecule. This investigation of the molecule conformational space allowed extracting mechanistic insights into the observed annealing- or near-IR-induced isomerization processes. The infrared spectra of the two most stable conformers of gallic acid in N2, Xe, and Ar matrices were fully assigned. Finally, the UV-induced photochemistry of the matrix isolated compound was investigated.

Thermally and vibrationally induced conformational isomerizations, infrared spectra, and photochemistry of gallic acid in low-temperature matrices

International Nuclear Information System (INIS)

Justino, Licínia L. G.; Reva, Igor; Fausto, Rui

2016-01-01

Near-infrared (near-IR) narrowband selective vibrational excitation and annealing of gallic acid (3,4,5-trihydroxybenzoic acid) isolated in cryogenic matrices were used to induce interconversions between its most stable conformers. The isomerizations were probed by infrared spectroscopy. An extensive set of quantum chemical calculations, carried out at the DFT(B3LYP)/6-311++G(d,p) level of approximation, was used to undertake a detailed analysis of the ground state potential energy surface of the molecule. This investigation of the molecule conformational space allowed extracting mechanistic insights into the observed annealing- or near-IR-induced isomerization processes. The infrared spectra of the two most stable conformers of gallic acid in N 2 , Xe, and Ar matrices were fully assigned. Finally, the UV-induced photochemistry of the matrix isolated compound was investigated.

Fourier transform infrared emission spectra of MnH and MnD

Science.gov (United States)

Gordon, Iouli E.; Appadoo, Dominique R. T.; Shayesteh, Alireza; Walker, Kaley A.; Bernath, Peter F.

2005-01-01

Fourier transform infrared emission spectra of MnH and MnD were observed in the ground X7Σ + electronic state. The vibration-rotation bands from v = 1 → 0 to v = 3 → 2 for MnH and from v = 1 → 0 to v = 4 → 3 for MnD were recorded at an instrumental resolution of 0.0085 cm -1. Spectroscopic constants were determined for each vibrational level and equilibrium constants were found from a Dunham-type fit. The equilibrium vibrational constant ( ωe) for MnH was found to be 1546.84518(65) cm -1, the equilibrium rotational constant ( Be) is 5.6856789(103) cm -1 and the eqilibrium bond distance ( re) was determined to be 1.7308601(47) Å.

[Investigation of typical melamine urinary stones using infrared spectra].

Science.gov (United States)

Si, Min-Zhen; Li, Qing-Yun; Liu, Ren-Ming; Kang, Yi-Pu; Wang, Kun-Hua; Zhang, Zhi-Guo

2010-02-01

A typical melamine kidney stone confirmed by some medicine expert was collected from the first people's hospital of Yunnan. The kidney stone was adequately determined by PE corporation spectra 100(with resolution of 1 cm(-1)). The stone samples for FTIR analysis were prepared using the KBr pellet technique, where 2 mg of the pretreated stone powder was mixed with 200 mg of analytical grade KBr using an agate pestle and mortar. The digital spectrum was then scanned in the mid-infrared region from 4 000 to 400 cm(-1) at room temperature. The appearing bands between 4 000 and 2 000 cm(-1) were 3 487, 3 325, 3 162 and 2 788 cm(-1), those between 1 700 and 1 000 cm(-1) were 1 694, 1 555, 1 383, 1 340, 1 189 and 1 122 cm(-1), and those between 1 000 and 400 cm(-1) were 993, 782, 748, 709, 624, 585, 565 and 476 cm(-1). It was found that the main constituent of calculi showed few comparability with cat kidney stone, which was from cats that died after consuming the contaminated food, and confirmed that these deposits were primarily composed of melamine and cyanuric acid compared to the IR spectra of calculi in literature. It was also found that the main constituent of calculi showed few comparability with popular kidney stone by comparison with the IR spectra of calculi in literature. The spectrum of calculi was 50% respectively similar with melamine and uric acid as compared with the IR spectrum. It was found that the main constituent of calculi was melamine itself and uric acid as compared with the IR spectra of calculi and melamine: (1 : 1), because the spectrum of calculi was 83. 3% similar to melamine and uric acid (1 : 1). The appearing bands of melamine and uric acid (1 : 1) between 4 000 and 2 000 cm(-1) were 3 469, 3 419, 3 333, 3 132, 3 026, 2 827 cm(-1), those between 1 700 and 1 000 cm(-1) were 1 696, 1 656, 1 555, 1 489, 1 439, 1 350, 1 311, 1 198, 1 124 and 1 028 cm(-1), and those between 1 000 and 400 cm(-1) were 993, 878, 814, 784, 745, 708, 619, 577 and

Water Vapor on Titan: The Stratospheric Vertical Profile from Cassini/CIRS Infrared Spectra

Science.gov (United States)

Cottini, V.; Jennings, D. E.; Nixon, C. A.; Anderson, C. M.; Gorius, N.; Bjoraker, G. L.; Coustenis, A.; Achterberg, R. K.; Teanby, N. A.; deKok, R.;

THE INFRARED SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS WITH SOME OR ALL HYDROGEN ATOMS REMOVED

Energy Technology Data Exchange (ETDEWEB)

Bauschlicher, Charles W. Jr. [Entry Systems and Technology Division, Mail Stop 230-3, NASA Ames Research Center, Moffett Field, CA 94035 (United States); Ricca, Alessandra, E-mail: Charles.W.Bauschlicher@nasa.gov, E-mail: Alessandra.Ricca-1@nasa.gov [Carl Sagan Center, SETI Institute, 189 Bernardo Avenue, Mountain View, CA 94043 (United States)

2013-10-20

The loss of one hydrogen from C{sub 96}H{sub 24} does not significantly affect the infrared spectra of the neutral, cation, or anion. Excluding a very weak C-C stretching band at 5.1 μm, the loss of two adjacent duo hydrogens does not significantly affect the spectra compared with the parent. Removing all of the hydrogen atoms significantly increases the intensity of the new C-C stretching band, and, for the cation, shifts it to a longer (5.2 μm) wavelength. Observations show a feature near 5.25 μm, which has been attributed to overtone and combination bands from polycyclic aromatic hydrocarbons (PAHs). This current work suggests that dehydrogenated PAHs might also contribute to this band, but its weakness implies that fully dehydrogenated cationic or dicationic species are very rare.

CH_3Cl, CH_2Cl_2, CHCl_3, and CCl_4: Infrared spectra, radiative efficiencies, and global warming potentials

International Nuclear Information System (INIS)

Wallington, Timothy J.; Pivesso, Bruno Pasquini; Lira, Alane Moura; Anderson, James E.; Nielsen, Claus Jørgen; Andersen, Niels Højmark; Hodnebrog, Øivind

2016-01-01

Infrared spectra for the title compounds were measured experimentally in 700 Torr of air at 295 K and systematically modeled in B3LYP, M06-2X and MP2 calculations employing various basis sets. Calibrated infrared spectra over the wavenumber range 600–3500 cm"−"1 are reported and combined with literature data to provide spectra for use in experimental studies and radiative transfer calculations. Integrated absorption cross sections are (units of cm"−"1 molecule"−"1): CH_3Cl, 660–780 cm"−"1, (3.89±0.19)×10"−"1"8; CH_2Cl_2, 650–800 cm"−"1, (2.16±0.11)×10"−"1"7; CHCl_3, 720–810 cm"−"1, (4.08±0.20)×10"−"1"7; and CCl_4, 730–825 cm"−"1, (6.30±0.31)×10"−"1"7. CH_3Cl, CH_2Cl_2, CHCl_3, and CCl_4 have radiative efficiencies of 0.004, 0.028, 0.070, and 0.174 W m"−"2 ppb"−"1 and global warming potentials (100 year horizon) of 5, 8, 15, and 1775, respectively. Quantum chemistry calculations generally predict larger band intensities than the experimental values. The best agreement with experiments is obtained in MP2(Full) calculations employing basis sets of at least triple-zeta quality augmented by diffuse functions. The B3LYP functional is found ill-suited for calculating vibrational frequencies and infrared intensities of halocarbons. - Highlights: • Infrared spectra reported for CH_3Cl, CH_2Cl_2, CHCl_3, and CCl_4. • REs of CH_3Cl, CH_2Cl_2, CHCl_3, and CCl_4 are 0.004, 0.028, 0.070, and 0.174 W m"−"2 ppb"−"1, respectively. • GWPs of CH_3Cl, CH_2Cl_2, CHCl_3, and CCl_4 are 5, 8, 15, and 1775, respectively.

Broadband mid-infrared supercontinuum generation in novel As2Se3-As2Se2 S step-index fibers

Science.gov (United States)

Wang, Yingying; Dai, Shixun; Han, Xin; Zhang, Peiqing; Liu, Yongxing; Wang, Xunsi; Sun, Shaochao

2018-03-01

We experimentally demonstrate the mid-infrared supercontinuum generation in a chalcogenide step-index fiber consisting of an As2Se3 core and an As2Se2 S cladding. The fiber with the core diameter of 21 μm was fabricated through the rod-in-tube technique and fiber-drawing process. The effect of pump wavelength, fiber length, and pump power on the spectral bandwidth and output power of the supercontinuum spectra generated from the fiber pumped by the ultrashort pulses of ∼ 150 fs with a repetition rate of 1000 Hz was systematically investigated. When pumping a 12-cm-long fiber at a wavelength of 6 . 5 μm with 14 mW pump laser power, a broadband supercontinuum spanning from 2 . 0 μm to 12 . 7 μm with an output power of 300 μW was obtained.

Effect of Shear Applied During a Pharmaceutical Process on Near Infrared Spectra.

Science.gov (United States)

Hernández, Eduardo; Pawar, Pallavi; Rodriguez, Sandra; Lysenko, Sergiy; Muzzio, Fernando J; Romañach, Rodolfo J

2016-03-01

This study describes changes observed in the near-infrared (NIR) diffuse reflectance (DR) spectra of pharmaceutical tablets after these tablets were subjected to different levels of strain (exposure to shear) during the mixing process. Powder shearing is important in the mixing of powders that are cohesive. Shear stress is created in a system by moving one surface over another causing displacements in the direction of the moving surface and is part of the mixing dynamics of particulates in many industries including the pharmaceutical industry. In continuous mixing, shear strain is developed within the process when powder particles are in constant movement and can affect the quality attributes of the final product such as dissolution. These changes in the NIR spectra could affect results obtained from NIR calibration models. The aim of the study was to understand changes in the NIR diffuse reflectance spectra that can be associated with different levels of strain developed during blend shearing of laboratory samples. Shear was applied using a Couette cell and tablets were produced using a tablet press emulator. Tablets with different shear levels were measured using NIR spectroscopy in the diffuse reflectance mode. The NIR spectra were baseline corrected to maintain the scattering effect associated with the physical properties of the tablet surface. Principal component analysis was used to establish the principal sources of variation within the samples. The angular dependence of elastic light scattering shows that the shear treatment reduces the size of particles and produces their uniform and highly isotropic distribution. Tablet compaction further reduces the diffuse component of scattering due to realignment of particles. © The Author(s) 2016.

Discrimination of different red wine by Fourier-transform infrared and two-dimensional infrared correlation spectroscopy

Science.gov (United States)

Zhang, Yan-ling; Chen, Jian-bo; Lei, Yu; Zhou, Qun; Sun, Su-qin; Noda, Isao

2010-06-01

Fourier-transform infrared spectroscopy (FT-IR) and two-dimensional infrared (2D IR) correlation spectroscopy were applied to analyze main components of liquid red wine with different sugar contents and volatilization residues of dry red wine from different manufactures. The infrared spectra, second derivative spectra of dry red wine show the typical peaks of alcohol, while the spectra of sweet wine are composed of the peaks of both alcohol and sugar, and the contribution of sugar enhanced as the increase of sugar content. Using principal component analysis (PCA) method, dry and sweet wine can be readily classified. Analysis of the infrared spectra of the volatilization residues of dry red wine samples from five different manufactures indicates that dry red wine may be composed of glycerol, carboxylic acids or esters and carboxyl ate, at the same time, different dry red wine show different characteristic peaks in the second derivative spectra and 2D IR correlation spectra, which can be used to discriminate the different manufactures and evaluate the quality of wine samples. The results suggested that infrared spectroscopy is a direct and effective method for the analysis of principle components of different red wines and discrimination of different red wines.

Strong spin-phonon coupling in infrared and Raman spectra of SrMnO.sub.3./sub..

Czech Academy of Sciences Publication Activity Database

Kamba, Stanislav; Goian, Veronica; Skoromets, Volodymyr; Hejtmánek, Jiří; Bovtun, Viktor; Kempa, Martin; Borodavka, Fedir; Vaněk, Přemysl; Belik, A.A.; Lee, J.H.; Pacherová, Oliva; Rabe, K.M.

2014-01-01

Roč. 89, č. 6 (2014), "064308-1"-"064308-9" ISSN 1098-0121 R&D Projects: GA MŠk LH13048; GA ČR GAP204/12/1163; GA MŠk LD12026; GA ČR GP14-14122P Institutional support: RVO:68378271 Keywords : multiferroics * spin-phonon coupling * infrared and Raman spectra Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

Path integral Liouville dynamics: Applications to infrared spectra of OH, water, ammonia, and methane

International Nuclear Information System (INIS)

Liu, Jian; Zhang, Zhijun

2016-01-01

Path integral Liouville dynamics (PILD) is applied to vibrational dynamics of several simple but representative realistic molecular systems (OH, water, ammonia, and methane). The dipole-derivative autocorrelation function is employed to obtain the infrared spectrum as a function of temperature and isotopic substitution. Comparison to the exact vibrational frequency shows that PILD produces a reasonably accurate peak position with a relatively small full width at half maximum. PILD offers a potentially useful trajectory-based quantum dynamics approach to compute vibrational spectra of molecular systems

Infrared spectroscopy and thermal analysis of prepared cation exchangers from cellulosic materials

International Nuclear Information System (INIS)

Nada, A.M.A.; EI-Sherief, S.; Nasr, A.; Kamel, M.

2005-01-01

Different cation exchangers were prepared by incorporation of phosphate and sulfate groups into acid or alkali treated wood pulp. The molecular structure of these cation exchangers were followed by infrared spectroscopy and thermal degradation analysis technique. From infrared spectra, a new bands are seen at 1200 and 980 cm-1 in phosphorylated wood pulp due to the formation of C-O-P bond. Another bands were seen at 1400, 1200 and 980 cm-1 in phospho sulfonated wood pulp due to the formation of CO- P and C-O-S bonds. Also, it is seen from infrared spectra that the crystallinity index for acid treated wood pulp has a higher value than untreated and alkali treated wood pulp. On the other hand, the acid treated and phosphorylated acid treated wood pulp have a higher activation energy than untreated and phosphorylated alkali treated wood pulp

Prediction of long-residue properties of potential blends from mathematically mixed infrared spectra of pure crude oils by partial least-squares regression models

NARCIS (Netherlands)

de Peinder, P.; Visser, T.; Petrauskas, D.D.; Salvatori, F.; Soulimani, F.; Weckhuysen, B.M.

2009-01-01

Research has been carried out to determine the feasibility of partial least-squares (PLS) regression models to predict the long-residue (LR) properties of potential blends from infrared (IR) spectra that have been created by linearly co-adding the IR spectra of crude oils. The study is the follow-up

Time resolved spectra in the infrared absorption and emission from shock heated hydrocarbons. [in interstellar medium

Science.gov (United States)

Bauer, S. H.; Borchardt, D. B.

1990-01-01

The wavelength range of a previously constructed multichannel fast recording spectrometer was extended to the mid-infrared. With the initial configuration, light intensities were recorded simultaneously with a silicon-diode array simultaneously at 20 adjacent wavelengths, each with a 20-micron time resolution. For studies in the infrared, the silicon diodes were replaced by a 20-element PbSe array of similar dimensions, cooled by a three-stage thermoelectric device. It is proposed that infrared emissions could be due to shock-heated low molecular-weight hydrocarbons. The full Swan band system appeared in time-integrated emission spectra from shock-heated C2H2; no soot was generated. At low resolution, the profiles on the high-frequency side of the black body maximum show no distinctive features. These could be fitted to Planck curves, with temperatures that declined with time from an initial high that was intermediate between T5 (no conversion) and T5(eq).

Quantitative infrared and near-infrared gas-phase spectra for pyridine: Absolute intensities and vibrational assignments

Energy Technology Data Exchange (ETDEWEB)

Johnson, T. J.; Aker, P. M.; Scharko, N. K.; Williams, S. D.

2018-02-01

Using vetted methods for generating quantitative absorption reference data, broadband infrared and near-infrared spectra (total range 11,000 – 600 cm-1) of pyridine vapor were recorded at 0.1 cm-1 spectral resolution, with the analyte thermostatted at 298 K and pressure-broadened to 1 atmosphere using N2 ballast gas. The quantitative spectrum is reported for the first time, and we have re-assigned some of the 27 fundamental modes. Fundamental assignments were confirmed by IR vapor phase band shapes, FT-Raman measurements and comparison with previous analyses. For the 760-Torr vapor-phase IR data several bands show resolved peaks (Q-branches). We have also assigned for the first time hundreds of combination and overtone bands in the mid- and near-IR. All assignments were made via comparison to theoretically calculated frequencies and intensities: The frequencies were computed with Gaussian03 with the anharmonic option, using MP2 and the ccpvtz basis set. The intensities were taken from a VSCF calculation in GAMESS using Hartree-Fock (for overtones and combination bands) or from the harmonic MP2 for fundamentals. Overtone and combination band harmonic and anharmonic frequencies, as well as intensities were also calculated using the CFOUR program. It is seen in the NIR spectrum near 6000 cm-1 that the very strong bands arise from the C-H first overtones, whereas only much weaker bands are observed for combination bands of C-H stretching modes. Certain features are discussed for their potential utility for atmospheric monitoring.

[Study on expert system of infrared spectral characteristic of combustible smoke agent].

Science.gov (United States)

Song, Dong-ming; Guan, Hua; Hou, Wei; Pan, Gong-pei

2009-05-01

The present paper studied the application of expert system in prediction of infrared spectral characteristic of combustible anti-infrared smoke agent. The construction of the expert system was founded, based on the theory of minimum free energy and infrared spectral addition. After the direction of smoke agent was input, the expert system could figure out the final combustion products. Then infrared spectrogram of smoke could also be simulated by adding the spectra of all of the combustion products. Meanwhile, the screening index of smoke was provided in the wave bands of 3-5 im and 8-14 microm. FTIR spectroscope was used to investigate the performance of one kind of HC smoke. The combustion products calculated by the expert system were coincident with the actual data, and the simulant infrared spectrum was also similar to the real one of the smoke. The screening index given by the system was consistent with the known facts. It was showed that a new approach was offered for the fast discrimination of varieties of directions of smoke agent.

Infrared spectra of complex organic molecules in astronomically relevant ice matrices. I. Acetaldehyde, ethanol, and dimethyl ether

Science.gov (United States)

Terwisscha van Scheltinga, J.; Ligterink, N. F. W.; Boogert, A. C. A.; van Dishoeck, E. F.; Linnartz, H.

2018-03-01

Context. The number of identified complex organic molecules (COMs) in inter- and circumstellar gas-phase environments is steadily increasing. Recent laboratory studies show that many such species form on icy dust grains. At present only smaller molecular species have been directly identified in space in the solid state. Accurate spectroscopic laboratory data of frozen COMs, embedded in ice matrices containing ingredients related to their formation scheme, are still largely lacking. Aim. This work provides infrared reference spectra of acetaldehyde (CH3CHO), ethanol (CH3CH2OH), and dimethyl ether (CH3OCH3) recorded in a variety of ice environments and for astronomically relevant temperatures, as needed to guide or interpret astronomical observations, specifically for upcoming James Webb Space Telescope observations. Methods: Fourier transform transmission spectroscopy (500-4000 cm-1/20-2.5 μm, 1.0 cm-1 resolution) was used to investigate solid acetaldehyde, ethanol and dimethyl ether, pure or mixed with water, CO, methanol, or CO:methanol. These species were deposited on a cryogenically cooled infrared transmissive window at 15 K. A heating ramp was applied, during which IR spectra were recorded until all ice constituents were thermally desorbed. Results: We present a large number of reference spectra that can be compared with astronomical data. Accurate band positions and band widths are provided for the studied ice mixtures and temperatures. Special efforts have been put into those bands of each molecule that are best suited for identification. For acetaldehyde the 7.427 and 5.803 μm bands are recommended, for ethanol the 11.36 and 7.240 μm bands are good candidates, and for dimethyl ether bands at 9.141 and 8.011 μm can be used. All spectra are publicly available in the Leiden Database for Ice.

Near-infrared spectra of Penicillium camemberti strains separated by extended multiplicative signal correction improved prediction of physical and chemical variations

DEFF Research Database (Denmark)

Decker, Marianne; Nielsen, Per Væggemose; Martens, Harald

2005-01-01

signal correction (TWEMSC) preprocessing, whereby three patterns of variation in near-infrared (NIR) log(1/R) spectra of fungal colonies could be separated mathematically: (1) physical light scattering and its wavelength dependency, (2) differences in light absorption of water due to varying sample...

Post-maximum Near-infrared Spectra of SN 2014J: A Search for Interaction Signatures

Science.gov (United States)

Sand, D. J.; Hsiao, E. Y.; Banerjee, D. P. K.; Marion, G. H.; Diamond, T. R.; Joshi, V.; Parrent, J. T.; Phillips, M. M.; Stritzinger, M. D.; Venkataraman, V.

2016-05-01

We present near-infrared (NIR) spectroscopic and photometric observations of the nearby Type Ia SN 2014J. The 17 NIR spectra span epochs from +15.3 to +92.5 days after B-band maximum light, while the {{JHK}}s photometry include epochs from -10 to +71 days. These data are used to constrain the progenitor system of SN 2014J utilizing the Paβ line, following recent suggestions that this phase period and the NIR in particular are excellent for constraining the amount of swept-up hydrogen-rich material associated with a non-degenerate companion star. We find no evidence for Paβ emission lines in our post-maximum spectra, with a rough hydrogen mass limit of ≲ 0.1 M ⊙, which is consistent with previous limits in SN 2014J from late-time optical spectra of the Hα line. Nonetheless, the growing data set of high-quality NIR spectra holds the promise of very useful hydrogen constraints. Based on observations obtained at the Gemini Observatory under program GN-2014A-Q-8 (PI: Sand). Gemini is operated by the Association of Universities for Research in Astronomy, Inc., under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (United States), the National Research Council (Canada), CONICYT (Chile), Ministerio de Ciencia, Tecnología e Innovación Productiva (Argentina), and Ministério da Ciência, Tecnologia e Inovação (Brazil).

Vibrational infrared and Raman spectra of polypeptides: Fragments-in-fragments within molecular tailoring approach

Energy Technology Data Exchange (ETDEWEB)

Sahu, Nityananda; Gadre, Shridhar R., E-mail: gadre@iitk.ac.in [Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur 208 016 (India)

2016-03-21

The present work reports the calculation of vibrational infrared (IR) and Raman spectra of large molecular systems employing molecular tailoring approach (MTA). Further, it extends the grafting procedure for the accurate evaluation of IR and Raman spectra of large molecular systems, employing a new methodology termed as Fragments-in-Fragments (FIF), within MTA. Unlike the previous MTA-based studies, the accurate estimation of the requisite molecular properties is achieved without performing any full calculations (FC). The basic idea of the grafting procedure is implemented by invoking the nearly basis-set-independent nature of the MTA-based error vis-à-vis the respective FCs. FIF has been tested out for the estimation of the above molecular properties for three isomers, viz., β-strand, 3{sub 10}- and α-helix of acetyl(alanine){sub n}NH{sub 2} (n = 10, 15) polypeptides, three conformers of doubly protonated gramicidin S decapeptide and trpzip2 protein (PDB id: 1LE1), respectively, employing BP86/TZVP, M06/6-311G**, and M05-2X/6-31G** levels of theory. For most of the cases, a maximum difference of 3 cm{sup −1} is achieved between the grafted-MTA frequencies and the corresponding FC values. Further, a comparison of the BP86/TZVP level IR and Raman spectra of α-helical (alanine){sub 20} and its N-deuterated derivative shows an excellent agreement with the existing experimental spectra. In view of the requirement of only MTA-based calculations and the ability of FIF to work at any level of theory, the current methodology provides a cost-effective solution for obtaining accurate spectra of large molecular systems.

Fast forward modeling of Titan’s infrared spectra to invert VIMS/CASSINI hyperspectral images

Science.gov (United States)

Rodriguez, S.; Le Mouélic, S.; Rannou, P.; Combe, J.; Le Corre, L.; Griffith, C. A.; Tobie, G.; Barnes, J. W.; Sotin, C.; Brown, R. H.; Baines, K. H.; Buratti, B. J.; Clark, R. N.

2009-12-01

The surface of Titan, the largest icy moon of Saturn, is veiled by a very thick and hazy atmosphere. The Visual and Infrared Mapping Spectrometer onboard the Cassini spacecraft, in orbit around Saturn since July 2004, has been conducting an intensive survey of Titan with the objective of understanding the complex nature and interaction of the atmosphere and surface of this mysterious moon. Retrieving and separating contributions from the surface and the atmosphere in Titan’s infrared spectra requires accurate radiative transfer modeling, which is often very demanding of computer resources. As Cassini has gathered hitherto millions of spectra of Titan and will continue to observe it until at least 2010, we report here on the development of a new rapid, simple and versatile radiative transfer model specially designed to process VIMS datacubes. Currently, our model accounts for gas absorption, haze scattering and surface reflectance and can be implemented in an inversion scheme. First results of forward modeling provide spectral shapes that are consistent with VIMS measurements, as well as surface and aerosol properties in the range of validity for Titan. Further inversion tests will be carried on VIMS hyperspectral images for the estimate of spatial coherence of the results, accuracy of the surface reflectance within the atmospheric windows, and potential needs for improved input data and modeling. This work was partly performed at the Jet Propulsion Laboratory, California Institute of Technology, under contract to the National Aeronautics and Space Administration. Calibrated VIMS data appear courtesy of the VIMS team. We thank the CNES French agency for its financial support.

Modeling of aircraft exhaust emissions and infrared spectra for remote measurement of nitrogen oxides

Directory of Open Access Journals (Sweden)

K. Beier

1994-08-01

Full Text Available Infrared (IR molecular spectroscopy is proposed to perform remote measurements of NOx concentrations in the exhaust plume and wake of aircraft. The computer model NIRATAM is applied to simulate the physical and chemical properties of the exhaust plume and to generate low resolution IR spectra and synthetical thermal images of the aircraft in its natural surroundings. High-resolution IR spectra of the plume, including atmospheric absorption and emission, are simulated using the molecular line-by-line radiation model FASCODE2. Simulated IR spectra of a Boeing 747-400 at cruising altitude for different axial and radial positions in the jet region of the exhaust plume are presented. A number of spectral lines of NO can be identified that can be discriminated from lines of other exhaust gases and the natural atmospheric background in the region around 5.2 µm. These lines can be used to determine NO concentration profiles in the plume. The possibility of measuring nitrogen dioxide NO2 is also discussed briefly, although measurements turn out to be substantially less likely than those of NO. This feasibility study compiles fundamental data for the optical and radiometric design of an airborne Fourier transform spectrometer and the preparation of in-flight measurements for monitoring of aircraft pollutants.

Modeling of aircraft exhaust emissions and infrared spectra for remote measurement of nitrogen oxides

Directory of Open Access Journals (Sweden)

K. Beier

Full Text Available Infrared (IR molecular spectroscopy is proposed to perform remote measurements of NO_x concentrations in the exhaust plume and wake of aircraft. The computer model NIRATAM is applied to simulate the physical and chemical properties of the exhaust plume and to generate low resolution IR spectra and synthetical thermal images of the aircraft in its natural surroundings. High-resolution IR spectra of the plume, including atmospheric absorption and emission, are simulated using the molecular line-by-line radiation model FASCODE2. Simulated IR spectra of a Boeing 747-400 at cruising altitude for different axial and radial positions in the jet region of the exhaust plume are presented. A number of spectral lines of NO can be identified that can be discriminated from lines of other exhaust gases and the natural atmospheric background in the region around 5.2 µm. These lines can be used to determine NO concentration profiles in the plume. The possibility of measuring nitrogen dioxide NO₂ is also discussed briefly, although measurements turn out to be substantially less likely than those of NO. This feasibility study compiles fundamental data for the optical and radiometric design of an airborne Fourier transform spectrometer and the preparation of in-flight measurements for monitoring of aircraft pollutants.

Infrared spectra of mineral species

CERN Document Server

Chukanov, Nikita V

2014-01-01

This book details more than 3,000 IR spectra of more than 2,000 mineral species collected during last 30 years. It features full descriptions and analytical data of each sample for which IR spectrum was obtained.

Update from the Analysis of High Resolution Propane Spectra and the Interpretation of Titan's Infrared Spectra

Science.gov (United States)

Klavans, V.; Nixon, C.; Hewagama, T.; Jennings, D. E.

2012-01-01

Titan has an extremely thick atmosphere dominated by nitrogen, but includes a range of trace species such as hydrocarbons and nitriles. One such hydrocarbon is propane (C3H8). Propane has 21 active IR bands covering broad regions of the mid-infrared. Therefore, its ubiquitous signature may potentially mask weaker signatures of other undetected species with important roles in Titan's chemistry. Cassini's Composite Infrared Spectrometer (CIRS) observations of Titan's atmosphere hint at the presence of such molecules. Unfortunately, C3H8 line atlases for the vibration bands V(sub 8), V(sub 21), V(sub 20), and V(sub 7) (869, 922, 1054, and 1157 per centimeter, respectively) are not currently available for subtracting the C3H8 signal to reveal, or constrain, the signature of underlying chemical species. Using spectra previously obtained by Jennings, D. E., et al. at the McMath-Pierce FTIR at Kitt Peak, AZ, as the source and automated analysis utilities developed for this application, we are compiling an atlas of spectroscopic parameters for propane that characterize the ro-vibrational transitions in the above bands. In this paper, we will discuss our efforts for inspecting and fitting the aforementioned bands, present updated results for spectroscopic parameters including absolute line intensities and transition frequencies in HITRAN and GEISA formats, and show how these optical constants will be used in searching for other trace chemical species in Titan's atmosphere. Our line atlas for the V(sub 21) band contains a total number of 2971 lines. The band integrated strength calculated for the V(sub 21) band is 1.003 per centimeter per (centimeter-atm).

Quantum Calculation for Musk Molecules Infrared Spectra towards the Understanding of Odor

Directory of Open Access Journals (Sweden)

Elaine Rose Maia

2014-01-01

Full Text Available It is not clear so far how humans can recognize odor. One of the theories regarding structure-odor relationship is vibrational theory, which claims that odors can be recognized by their modes of vibration. In this sense, this paper brings a novel comparison made between musky and nonmusky molecules, as to check the existence of correlation between their modes on the infrared spectra and odor. For this purpose, sixteen musky odorants were chosen, as well as seven other molecules that are structurally similar to them, but with no musk odor. All of them were submitted to solid theoretical methodology (using molecular mechanics/molecular dynamics and Neglect of Diatomic Differential Overlap Austin Model 1 methods to optimize geometries as to achieve density functional theory spectra information, with both Gradient Corrected Functional Perdew-Wang generalized-gradient approximation (GGA/PW91 and hybrid Becke, three-parameter, Lee-Yang-Parr (B3LYP functional. For a proper analysis over spectral data, a mathematical method was designed, generating weighted averages for theoretical frequencies and computing deviations from these averages. It was then devised that musky odorants satisfied demands of the vibrational theory, while nonmusk compounds belonging either to nitro group or to acyclic group failed to fulfill the same criteria.

Infrared Spectra and Optical Constants of Astronomical Ices: I. Amorphous and Crystalline Acetylene

Science.gov (United States)

Hudson, R. L.; Ferrante, R. F.; Moore, M. H.

2013-01-01

Here we report recent measurements on acetylene (C2H2) ices at temperatures applicable to the outer Solar System and the interstellar medium. New near- and mid-infrared data, including optical constants (n, k), absorption coefficients (alpha), and absolute band strengths (A), are presented for both amorphous and crystalline phases of C2H2 that exist below 70 K. Comparisons are made to earlier work. Electronic versions of the data are made available, as is a computer routine to use our reported n and k values to simulate the observed IR spectra. Suggestions are given for the use of the data and a comparison to a spectrum of Makemake is made.

Overview of the use of theory to understand infrared and Raman spectra and images of biomolecules: colorectal cancer as an example

DEFF Research Database (Denmark)

Piva, J. A. A. C.; Silva, J. L. R.; Raniero, L.

2011-01-01

In this work, we present the state of the art in the use of theory (first principles, molecular dynamics, and statistical methods) for interpreting and understanding the infrared (vibrational) absorption and Raman scattering spectra. It is discussed how they can be used in combination with purely...... of biomolecules are very sensitive to their environment and aggregation state, the combined use of infrared and Raman spectroscopy and imaging and theoretical simulations are clearly fields, which can benefit from their joint and mutual development....

Dielectric constant and low-frequency infrared spectra for liquid water and ice Ih within the E3B model

Energy Technology Data Exchange (ETDEWEB)

Shi, L.; Ni, Y.; Drews, S. E. P.; Skinner, J. L. [Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706 (United States)

2014-08-28

Two intrinsic difficulties in modeling condensed-phase water with conventional rigid non-polarizable water models are: reproducing the static dielectric constants for liquid water and ice Ih, and generating the peak at about 200 cm{sup −1} in the low-frequency infrared spectrum for liquid water. The primary physical reason for these failures is believed to be the missing polarization effect in these models, and consequently various sophisticated polarizable water models have been developed. However, in this work we pursue a different strategy and propose a simple empirical scheme to include the polarization effect only on the dipole surface (without modifying a model's intermolecular interaction potential). We implement this strategy for our explicit three-body (E3B) model. Our calculated static dielectric constants and low-frequency infrared spectra are in good agreement with experiment for both liquid water and ice Ih over wide temperature ranges, albeit with one fitting parameter for each phase. The success of our modeling also suggests that thermal fluctuations about local minima and the energy differences between different proton-disordered configurations play minor roles in the static dielectric constant of ice Ih. Our analysis shows that the polarization effect is important in resolving the two difficulties mentioned above and sheds some light on the origin of several features in the low-frequency infrared spectra for liquid water and ice Ih.

CHARACTERIZING THE INFRARED SPECTRA OF SMALL, NEUTRAL, FULLY DEHYDROGENATED POLYCYCLIC AROMATIC HYDROCARBONS

Energy Technology Data Exchange (ETDEWEB)

Mackie, C. J.; Peeters, E.; Cami, J. [Department of Physics and Astronomy, University of Western Ontario, London, ON N6A 3K7 (Canada); Bauschlicher, C. W. Jr., E-mail: mackie@strw.leidenuniv.nl [NASA Ames Research Center, MS 245-6, Moffett Field, CA 94035 (United States)

2015-02-01

We present the results of a computational study to investigate the infrared spectroscopic properties of a large number of polycyclic aromatic hydrocarbon (PAH) molecules and their fully dehydrogenated counterparts. We constructed a database of fully optimized geometries for PAHs that is complete for eight or fewer fused benzene rings, thus containing 1550 PAHs and 805 fully dehydrogenated aromatics. A large fraction of the species in our database have clearly non-planar or curved geometries. For each species, we determined the frequencies and intensities of their normal modes using density functional theory calculations. Whereas most PAH spectra are fairly similar, the spectra of fully dehydrogenated aromatics are much more diverse. Nevertheless, these fully dehydrogenated species show characteristic emission features at 5.2 μm, 5.5 μm, and 10.6 μm; at longer wavelengths, there is a forest of emission features in the 16-30 μm range that appears as a structured continuum, but with a clear peak centered around 19 μm. We searched for these features in Spitzer-IRS spectra of various positions in the reflection nebula NGC 7023. We find a weak emission feature at 10.68 μm in all positions except that closest to the central star. We also find evidence for a weak 19 μm feature at all positions that is not likely due to C{sub 60}. We interpret these features as tentative evidence for the presence of a small population of fully dehydrogenated PAHs, and discuss our results in the framework of PAH photolysis and the formation of fullerenes.

Spectra and structure of silicon containing compounds. XXXII. Raman and infrared spectra, conformational stability, vibrational assignment and ab initio calculations of n-propylsilane-d0 and Si-d3.

Science.gov (United States)

Durig, James R; Pan, Chunhua; Guirgis, Gamil A

2003-03-15

The infrared (3100-40 cm(-1)) and Raman (3100-20 cm(-1)) spectra of gaseous and solid n-propylsilane, CH(3)CH(2)CH(2)SiH(3) and the Si-d(3) isotopomer, CH(3)CH(2)CH(2)SiD(3), have been recorded. Additionally, the Raman spectra of the liquids have been recorded and qualitative depolarization values obtained. Both the anti and gauche conformers have been identified in the fluid phases but only the anti conformer remains in the solid. Variable temperature (-105 to -150 degrees C) studies of the infrared spectra of n-propylsilane dissolved in liquid krypton have been recorded and the enthalpy difference has been determined to be 220+/-22 cm(-1) (2.63+/-0.26 kJ mol(-1)) with the anti conformer the more stable form. A similar value of 234+/-23 cm(-1) (2.80+/-0.28 kJ mol(-1)) was obtained for deltaH for the Si-d(3) isotopomer. At ambient temperature it is estimated that there is 30+/-2% of the gauche conformer present. The potential function governing the conformation interchange has been estimated from the far infrared spectral data, the enthalpy difference, and the dihedral angle of the gauche conformer, which is compared to the one predicted from ab initio MP2/6-31G(d) calculations. The barriers to conformational interchange are: 942, 970 and 716 cm(-1) for the anti to gauche, gauche to gauche, and gauche to anti conformers, respectively. Relatively complete vibrational assignments are proposed for both the n-propylsilane-d(0) and Si-d(3) molecules based on the relative infrared and Raman spectral intensities, infrared band contours, depolarization ratios, and normal coordinate calculations. The geometrical parameters, harmonic force constants, vibrational frequencies, infrared intensities, Raman activities and depolarization ratios, and energy differences have been obtained for the anti and gauche conformers from ab initio MP2/6-31G(d) calculations. Structural parameters and energy differences have also been obtained utilizing the larger 6-311 + G(d,p) and 6-311 + G(2

Spectra and structure of silicon containing compounds. XXXII. Raman and infrared spectra, conformational stability, vibrational assignment and ab initio calculations of n-propylsilane-d 0 and Si-d 3

Science.gov (United States)

Durig, James R.; Pan, Chunhua; Guirgis, Gamil A.

2003-03-01

The infrared (3100-40 cm -1) and Raman (3100-20 cm -1) spectra of gaseous and solid n-propylsilane, CH 3CH 2CH 2SiH 3 and the Si-d 3 isotopomer, CH 3CH 2CH 2SiD 3, have been recorded. Additionally, the Raman spectra of the liquids have been recorded and qualitative depolarization values obtained. Both the anti and gauche conformers have been identified in the fluid phases but only the anti conformer remains in the solid. Variable temperature (-105 to -150 °C) studies of the infrared spectra of n-propylsilane dissolved in liquid krypton have been recorded and the enthalpy difference has been determined to be 220±22 cm -1 (2.63±0.26 kJ mol -1) with the anti conformer the more stable form. A similar value of 234±23 cm -1 (2.80±0.28 kJ mol -1) was obtained for Δ H for the Si-d 3 isotopomer. At ambient temperature it is estimated that there is 30±2% of the gauche conformer present. The potential function governing the conformation interchange has been estimated from the far infrared spectral data, the enthalpy difference, and the dihedral angle of the gauche conformer, which is compared to the one predicted from ab initio MP2/6-31G(d) calculations. The barriers to conformational interchange are: 942, 970 and 716 cm -1 for the anti to gauche, gauche to gauche, and gauche to anti conformers, respectively. Relatively complete vibrational assignments are proposed for both the n-propylsilane-d 0 and Si-d 3 molecules based on the relative infrared and Raman spectral intensities, infrared band contours, depolarization ratios, and normal coordinate calculations. The geometrical parameters, harmonic force constants, vibrational frequencies, infrared intensities, Raman activities and depolarization ratios, and energy differences have been obtained for the anti and gauche conformers from ab initio MP2/6-31G(d) calculations. Structural parameters and energy differences have also been obtained utilizing the larger 6-311+G(d,p) and 6-311+G(2d,2p) basis sets. From the isolated

Microwave, infrared and Raman spectra, adjusted r{sub 0} structural parameters, conformational stability, and vibrational assignment of cyclopropylfluorosilane

Energy Technology Data Exchange (ETDEWEB)

Panikar, Savitha S. [Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110 (United States); Guirgis, Gamil A.; Eddens, Matthew T.; Dukes, Horace W. [Department of Chemistry and Biochemistry, College of Charleston, Charleston, SC 29424 (United States); Conrad, Andrew R.; Tubergen, Michael J. [Department of Chemistry, Kent State University, Kent, OH 44242 (United States); Gounev, Todor K. [Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110 (United States); Durig, James R., E-mail: durigj@umkc.edu [Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110 (United States)

2013-03-29

Highlights: ► The most stable gauche conformer has been identified from microwave spectra. ► Enthalpy difference has been determined between the two forms. ► Adjusted r{sub 0} structures were obtained for the gauche form. ► Ab initio calculations were performed for the two conformers. - Abstract: FT-microwave, infrared spectra of gas and Raman spectra of liquid for cyclopropylfluorosilane, c-C{sub 3}H{sub 5}SiH{sub 2}F have been recorded. 51 transitions for the {sup 28}Si, {sup 29}Si, and {sup 30}Si isotopomers have been assigned for the gauche conformer. Enthalpy differences in xenon solution by variable temperature infrared spectra between the more stable gauche and lesser stable cis form gave 109 ± 9 cm{sup −1}. From the microwave rotational constants for the three isotopomers ({sup 28}Si, {sup 29}Si, {sup 30}Si) combined with structural parameters predicted from MP2(full)/6-311+G(d, p) calculations, adjusted r{sub 0} structural parameters were obtained for the gauche conformer. The heavy atom distances (Å): Si–C{sub 2} = 1.836(3); C{sub 2}–C{sub 4} = 1.525(3); C{sub 2}–C{sub 5} = 1.519(3); C{sub 4}–C{sub 5} = 1.494(3); Si–F = 1.594(3) and angles (°): ∠CSiF = 111.2(5); ∠SiC{sub 2}C{sub 4} = 117.5(5); ∠SiC{sub 2}C{sub 5} = 119.2(5). To support the vibrational assignments, MP2(full)/6-31G(d) calculations were carried out. Results are discussed and compared to the corresponding properties of some similar molecules.

Far-infrared spectra of yttrium-doped gold clusters Au(n)Y (n=1-9).

Science.gov (United States)

Lin, Ling; Claes, Pieterjan; Gruene, Philipp; Meijer, Gerard; Fielicke, André; Nguyen, Minh Tho; Lievens, Peter

2010-06-21

The geometric, spectroscopic, and electronic properties of neutral yttrium-doped gold clusters Au(n)Y (n=1-9) are studied by far-infrared multiple photon dissociation (FIR-MPD) spectroscopy and quantum chemical calculations. Comparison of the observed and calculated vibrational spectra allows the structures of the isomers present in the molecular beam to be determined. Most of the isomers for which the IR spectra agree best with experiment are calculated to be the energetically most stable ones. Attachment of xenon to the Au(n)Y cluster can cause changes in the IR spectra, which involve band shifts and band splittings. In some cases symmetry changes, as a result of the attachment of xenon atoms, were also observed. All the Au(n)Y clusters considered prefer a low spin state. In contrast to pure gold clusters, which exhibit exclusively planar lowest-energy structures for small sizes, several of the studied species are three-dimensional. This is particularly the case for Au(4)Y and Au(9)Y, while for some other sizes (n=5, 8) the 3D structures have an energy similar to that of their 2D counterparts. Several of the lowest-energy structures are quasi-2D, that is, slightly distorted from planar shapes. For all the studied species the Y atom prefers high coordination, which is different from other metal dopants in gold clusters.

Transmission Spectra of HgTe-Based Quantum Wells and Films in the Far-Infrared Range

Science.gov (United States)

Savchenko, M. L.; Vasil'ev, N. N.; Yaroshevich, A. S.; Kozlov, D. A.; Kvon, Z. D.; Mikhailov, N. N.; Dvoretskii, S. A.

2018-04-01

Strained 80-nm-thick HgTe films belong to a new class of materials referred to as three-dimensional topological insulators (i.e., they have a bulk band gap and spin-nondegenerate surface states). Though there are a number of studies devoted to analysis of the properties of surface states using both transport and magnetooptical techniques in the THz range, the information about direct optical transitions between bulk and surface bands in these systems has not been reported. This study is devoted to the analysis of transmission and reflection spectra of HgTe films of different thicknesses in the far-infrared range recorded in a wide temperature range in order to detect the above interband transitions. A peculiarity at 15 meV, which is sensitive to a change in the temperature, is observed in spectra of both types. Detailed analysis of the data obtained revealed that this feature is related to absorption by HgTe optical phonons, while the interband optical transitions are suppressed.

Evaluation of ionizing radiation effects on recycled polyamide-6 by infrared spectroscopy and measures of fluidity index

International Nuclear Information System (INIS)

Evora, Maria Cecilia; Goncalez, Odair Lelis

2000-01-01

In this work are presented partial results from a set of experiments and analyses performed at CTA and IPEN laboratories for the characterization of the polyamide-6, recycled and irradiated with a 1.5 MeV electron beam with a 500 kGy dose. The experimental determinations were carried out using infrared spectroscopy with Fourier transform (FTIR), in the medium infrared region (MIR) and in the far infrared region (FAR), to evaluate if exist significant changes in the infrared absorption region of the amide groups due to the polyamide irradiation. Characteristics relative to the measured fluidity index were used to evaluate the irradiated material crosslinking. (author)

PCA: Principal Component Analysis for spectra modeling

Science.gov (United States)

Hurley, Peter D.; Oliver, Seb; Farrah, Duncan; Wang, Lingyu; Efstathiou, Andreas

2012-07-01

The mid-infrared spectra of ultraluminous infrared galaxies (ULIRGs) contain a variety of spectral features that can be used as diagnostics to characterize the spectra. However, such diagnostics are biased by our prior prejudices on the origin of the features. Moreover, by using only part of the spectrum they do not utilize the full information content of the spectra. Blind statistical techniques such as principal component analysis (PCA) consider the whole spectrum, find correlated features and separate them out into distinct components. This code, written in IDL, classifies principal components of IRS spectra to define a new classification scheme using 5D Gaussian mixtures modelling. The five PCs and average spectra for the four classifications to classify objects are made available with the code.

Hemoglobin concentration determination based on near infrared spatially resolved transmission spectra

Science.gov (United States)

Zhang, Linna; Li, Gang; Lin, Ling

2016-10-01

Spatially resolved diffuse reflectance spectroscopy method has been proved to be more effective than single point spectroscopy method in the experiment to predict the concentration of the Intralipid diluted solutions. However, Intralipid diluted solution is simple, cannot be the representative of turbid liquids. Blood is a natural and meaningful turbid liquid, more complicate. Hemoglobin is the major constituent of the whole blood. And hemoglobin concentration is commonly used in clinical medicine to diagnose many diseases. In this paper, near infrared spatially resolved transmission spectra (NIRSRTS) and Partial Least Square Regression (PLSR) were used to predict the hemoglobin concentration of human blood. The results showed the prediction ability for hemoglobin concentration of the proposed method is better than single point transmission spectroscopy method. This paper demonstrated the feasibility of the spatially resolved diffuse reflectance spectroscopy method for practical liquid composition analysis. This research provided a new thinking of practical turbid liquid composition analysis.

INFRARED SPECTRA AND OPTICAL CONSTANTS OF NITRILE ICES RELEVANT TO TITAN's ATMOSPHERE

International Nuclear Information System (INIS)

Moore, Marla H.; Hudson, Reggie; Ferrante, Robert F.; James Moore, W.

2010-01-01

Spectra and optical constants of nitrile ices known or suspected to be in Titan's atmosphere are presented from 2.0 to 333.3 μm (∼5000-30 cm -1 ). These results are relevant to the ongoing modeling of Cassini CIRS observations of Titan's winter pole. Ices studied are: HCN, hydrogen cyanide; C 2 N 2 , cyanogen; CH 3 CN, acetonitrile; C 2 H 5 CN, propionitrile; and HC 3 N, cyanoacetylene. For each of these molecules, we also report new cryogenic measurements of the real refractive index, n, determined in both the amorphous and crystalline phases at 670 nm. These new values have been incorporated into our optical constant calculations. Spectra were measured and optical constants were calculated for each nitrile at a variety of temperatures, including, but not limited to, 20, 35, 50, 75, 95, and 110 K, in both the amorphous phase and the crystalline phase. This laboratory effort used a dedicated FTIR spectrometer to record transmission spectra of thin-film ice samples. Laser interference was used to measure film thickness during condensation onto a transparent cold window attached to the tail section of a closed-cycle helium cryostat. Optical constants, real (n) and imaginary (k) refractive indices, were determined using Kramers-Kronig analysis. Our calculation reproduces the complete spectrum, including all interference effects.

Infrared spectra of 4HeH+, 4HeD+, 3HeH+, and 3HeD+

International Nuclear Information System (INIS)

Crofton, M.W.; Altman, R.S.; Haese, N.N.; Oka, T.

1989-01-01

Isotopic species of the HeH + molecular ion provide an excellent testing ground for studying isotopic dependence of vibration--rotation constants because of the small masses of He and H isotopes. We have observed infrared spectra of the hot band v=2 left-arrow 1 of HeH + and fundamental bands of isotopic species HeD + , 3 HeH + , and 3 HeD + , and obtained the Dunham coefficients Y kl , and the isotopically independent parameters U kl , Δ He kl , and Δ H kl

Laboratory Gas-phase Infrared Spectra of Two Astronomically Relevant PAH Cations: Diindenoperylene, {{\\rm{C}}}_{32}{{\\rm{H}}}_{16}^{+} and Dicoronylene, {{\\rm{C}}}_{48}{{\\rm{H}}}_{20}^{+}

Science.gov (United States)

Zhen, Junfeng; Candian, Alessandra; Castellanos, Pablo; Bouwman, Jordy; Linnartz, Harold; Tielens, Alexander G. G. M.

2018-02-01

The first gas-phase infrared spectra of two isolated astronomically relevant and large polycyclic aromatic hydrocarbon (PAH) cations—diindenoperylene (DIP) and dicoronylene (DC)—in the 530–1800 cm‑1 (18.9‑5.6 μm) range—are presented. Vibrational band positions are determined for comparison to the aromatic infrared bands. The spectra are obtained via infrared multiphoton dissociation spectroscopy of ions stored in a quadrupole ion trap using the intense and tunable radiation of the free electron laser for infrared experiments (FELIX). DIP+ shows its main absorption peaks at 737 (13.57), 800 (12.50), 1001 (9.99), 1070 (9.35), 1115 (8.97), 1152 (8.68), 1278 (7.83), 1420 (7.04), and 1550 (6.45) cm‑1(μm), in good agreement with density functional theory (DFT) calculations that are uniformly scaled to take anharmonicities into account. DC+ has its main absorption peaks at 853 (11.72), 876 (11.42), 1032 (9.69), 1168 (8.56), 1300 (7.69), 1427 (7.01), and 1566 (6.39) cm‑1(μm), which also agree well with the scaled DFT results presented here. The DIP+ and DC+ spectra are compared with the prominent infrared features observed toward NGC 7023. This results both in matches and clear deviations. Moreover, in the 11.0–14.0 μm region, specific bands can be linked to CH out-of-plane (oop) bending modes of different CH edge structures in large PAHs. The molecular origin of these findings and their astronomical relevance are discussed.

NOAA JPSS Visible Infrared Imaging Radiometer Suite (VIIRS) Smoothed Normalized Difference Vegetation Index (NDVI) from NDE

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — The Visible Infrared Imaging Radiometer Suite (VIIRS) Smoothed Normalized Difference Vegetation Index (NDVI) from NDE is a weekly product derived from the VIIRS...

Mid-infrared emission and Raman spectra analysis of Er(3+)-doped oxyfluorotellurite glasses.

Science.gov (United States)

Chen, Fangze; Xu, Shaoqiong; Wei, Tao; Wang, Fengchao; Cai, Muzhi; Tian, Ying; Xu, Shiqing

2015-04-10

This paper reports on the spectroscopic and structural properties in Er(3+)-doped oxyfluorotellurite glasses. The compositional variation accounts for the evolutions of Raman spectra, Judd-Ofelt parameters, radiative properties, and fluorescent emission. It is found that, when maximum phonon energy changes slightly, phonon density plays a crucial role in quenching the 2.7 μm emission generated by the Er(3+):(4)I11/2→(4)I13/2 transition. The comparative low phonon density contributes strong 2.7 μm emission intensity. The high branching ratio (18.63%) and large emission cross section (0.95×10(-20)  cm(2)) demonstrate that oxyfluorotellurite glass contained with 50 mol.% TeO2 has potential application in the mid-infrared region laser.

Pre-processing of Fourier transform infrared spectra by means of multivariate analysis implemented in the R environment.

Science.gov (United States)

Banas, Krzysztof; Banas, Agnieszka; Gajda, Mariusz; Pawlicki, Bohdan; Kwiatek, Wojciech M; Breese, Mark B H

2015-04-21

Pre-processing of Fourier transform infrared (FTIR) spectra is typically the first and crucial step in data analysis. Very often hyperspectral datasets include the regions characterized by the spectra of very low intensity, for example two-dimensional (2D) maps where the areas with only support materials (like mylar foil) are present. In that case segmentation of the complete dataset is required before subsequent evaluation. The method proposed in this contribution is based on a multivariate approach (hierarchical cluster analysis), and shows its superiority when compared to the standard method of cutting-off by using only the mean spectral intensity. Both techniques were implemented and their performance was tested in the R statistical environment - open-source platform - that is a favourable solution if the repeatability and transparency are the key aspects.

[Apply fourier transform infrared spectra coupled with two-dimensional correlation analysis to study the evolution of humic acids during composting].

Science.gov (United States)

Bu, Gui-jun; Yu, Jing; Di, Hui-hui; Luo, Shi-jia; Zhou, Da-zhai; Xiao, Qiang

2015-02-01

The composition and structure of humic acids formed during composting play an important influence on the quality and mature of compost. In order to explore the composition and evolution mechanism, municipal solid wastes were collected to compost and humic and fulvic acids were obtained from these composted municipal solid wastes. Furthermore, fourier transform infrared spectra and two-dimensional correlation analysis were applied to study the composition and transformation of humic and fulvic acids during composting. The results from fourier transform infrared spectra showed that, the composition of humic acids was complex, and several absorbance peaks were observed at 2917-2924, 2844-2852, 2549, 1662, 1622, 1566, 1454, 1398, 1351, 990-1063, 839 and 711 cm(-1). Compared to humic acids, the composition of fulvci acids was simple, and only three peaks were detected at 1725, 1637 and 990 cm(-1). The appearance of these peaks showed that both humic and fulvic acids comprised the benzene originated from lignin and the polysaccharide. In addition, humic acids comprised a large number of aliphatic and protein which were hardly detected in fulvic acids. Aliphatic, polysaccharide, protein and lignin all were degraded during composting, however, the order of degradation was different between humic and fulvci acids. The result from two-dimensional correlation analysis showed that, organic compounds in humic acids were degraded in the following sequence: aliphatic> protein> polysaccharide and lignin, while that in fulvic acids was as following: protein> polysaccharide and aliphatic. A large number of carboxyl, alcohols and ethers were formed during the degradation process, and the carboxyl was transformed into carbonates. It can be concluded that, fourier transform infrared spectra coupled with two-dimensional correlation analysis not only can analyze the function group composition of humic substances, but also can characterize effectively the degradation sequence of these

Infrared Spectra and Optical Constants of Nitrile Ices Relevant to Titan's Atmosphere

Science.gov (United States)

Anderson, Carrie; Ferrante, Robert F.; Moore, W. James; Hudson, Reggie; Moore, Marla H.

2011-01-01

Spectra and optical constants of nitrile ices known or suspected to be in Titan?s atmosphere have been determined from 2.0 to 333.3 microns (approx.5000 to 30/cm). These results are relevant to the ongoing modeling of Cassini CIRS observations of Titan?s winter pole. Ices studied were: HCN, hydrogen cyanide; C2N2, cyanogen; CH3CN, acetonitrile; C2H5CN, propionitrile; and HC3N, cyanoacetylene. Optical constants were calculated, using Kramers-Kronig analysis, for each nitrile ice?s spectrum measured at a variety of temperatures, in both the amorphous- and crystalline phases. Spectra were also measured for many of the nitriles after quenching at the annealing temperature and compared with those of annealed ices. For each of these molecules we also measured the real component, n, of the refractive index for amorphous and crystalline phases at 670 nm. Several examples of the information contained in these new data sets and their usefulness in modeling Titan?s observed features will be presented (e.g., the broad emission feature at 160/cm; Anderson and Samuelson, 2011).

Combined use of infrared and Raman spectra in the characterization of orthoclase under various hydrostatic pressures.

Science.gov (United States)

Liu, Rui; Wang, Zhi-Hua; Xu, Qiang; Yu, Na; Cao, Miao-Cong

2014-02-01

Colorless and pink orthoclase from Balikun granite body, East Zhunger in Xinjiang, served as the samples for the research on hydrostatic pressure experiment. The in-situ hydrostatic pressure test for orthoclases was conducted at the room temperature and pressures from 100 to 600 MPa using cubic zirconia anvil cell, with quartz as pressure gauge. The water located in the orthoclases for the conditions of different hydrostatic pressures was characterized through the methods of Fourier transform infrared (FTIR) and Raman spectra. The results showed that there was a linear correlation between the shifting of Raman bands and hydrostatic pressure applied to the feldspar. All of vibration peaks of M-O structural groups in orthoclases, the bending vibration peaks of Si(Al(IV))-O-Si bond and tetrahedron groups of [SiO4] in Raman spectra shifted toward the higher frequency regularly, the drift distance is 2, 2.19 and less than 2 cm(-1) respectively. The spectra of FTIR suggested that there was more water in colorless orthoclases than the pink one under certain conditions of hydrostatic pressure. The intensity and integral area centered at 3420 cm(-1) in FTIR spectra increased with the rising of hydrostatic pressure. The integral area for colorless and pink feldspar in FTIR spectra rose from 120, 1383 cm(-1) under normal pressure to 1570, 2001 cm(-1) at 600 MPa respectively. The experimental results might indicate that the water in the earth crust could enter the orthoclases in certain condition of the aqueous confining pressure.

A benthic macroinvertebrate size spectra index for implementing the Water Framework Directive in coastal lagoons in Mediterranean and Black Sea ecoregions

OpenAIRE

Basset, A.; Barbone, E.; Borja, A.; Brucet, S.; Pinna, M.; Quintana, X. D.; Reizopoulou, S.; Rosati, I.; Simboura, N.

2012-01-01

Size spectra show common patterns of variation among ecosystem types, functional guilds and taxonomic groups, as well as predictable responses to pressures. Here, we extend the size spectra approach to macroinvertebrate ecological status assessment in transitional waters, by developing, testing and validating a multi-metric index of size spectra sensitivity (ISS), which integrates size structure metrics with metrics describing the sensitivity of size classes to anthropogenic distu...

Validation of Environmental Stress Index by Measuring Infrared Radiation as a Substitute for Solar Radiation in Indoor Workplaces

Directory of Open Access Journals (Sweden)

Peymaneh Habibi

2016-09-01

Full Text Available Background The exposure of individuals to heat at different jobs warrants the use of heat stress evaluation indices. Objectives The aim of this study was to validate environmental stress index using an infrared radiation (IR measurement instrument as a substitute for pyranometer in indoor workplaces. Methods This study was conducted on 2303 indoor workstations in different industries in Isfahan, Iran, during July, August, and September in 2012. The intensity of the Infrared Radiation (IR (w/m2 was measured at five-centimeter distances in six different directions, above, opposite, right, left, behind and below the globe thermometer. Then, the dry globe temperature (Ta, wet globe temperature (Tnw, globe temperature (Tg and relative humidity (RH were also simultaneously measured. The data were analyzed using correlation and regression by the SPSS18 software. Results The study results indicate that a high correlation (r = 0.96 exists between the environmental stress index (ESI and the values of wet bulb globe temperature (P < 0.01. According to the following equation, WBGT = 1.086 × ESI - 1.846, the environmental stress index is able to explain 91% (R2 = 0.91 of the WBGT index variations (P < 0.01. Conclusions Based on the results, to study heat stress in indoor workplaces when the WBGT measurement instrument is not available and also in short-term exposures (shorter than 30 minutes when measuring the wet bulb globe temperature shows a considerable error, it is possible to calculate the environmental stress index and accordingly to the WBGT index, by measuring the parameters of dry bulb temperature (Ta, relative humidity (RH, and infrared radiation intensity that can be easily measured in a short time.

Enhanced middle-infrared light transmission through Au/SiO(x)N(y)/Au aperture arrays.

Science.gov (United States)

Xiao, Gongli; Yao, Xiang; Ji, Xinming; Zhou, Jia; Bao, Zongming; Huang, Yiping

2011-12-01

The enhanced middle-infrared light transmission through Au/SiO(x)N(y)/Au aperture arrays by changing the refractive index and the thickness of a dielectric layer was studied experimentally. The results indicated that the transmission spectra was highly dependent on the refractive index and the thickness of SiO(x)N(y). We found that the transmission peaks redshifted regularly along with the refractive index from 1.6 to 1.8, owing to the role of surface plasmon polaritons (SPP) coupling in the Au/SiO(x)N(y)/Au cascaded metallic structure. Simultaneously, a higher transmission efficiency and narrower transmission peak was obtained in Au/SiO2.1N0.3/Au cascaded metallic structure with small refractive index (1.6) than in Au/SiO0.6N1/Au cascaded metallic structure with large refractive index (1.8). When the thickness of SiO(x)N(y) changes from 0.2 to 0.4 microm, the shape of transmission spectra exhibits a large change. It was found that a higher transmission efficiency and narrower transmission peak was obtained in Au/SiO(x)N(y)/Au cascaded metallic structure with a thin dielectric film (0.2 microm), with the increase of SiO(x)N(y) film's thickness, the transmission peak gradually widened and disappeared finally. This effect is useful in applications of biochemical sensing and tunable integrated plasmonic devices in the middle-infrared region.

Infrared spectra of phosphate sorbed on iron hydroxide gel and the sorption products

International Nuclear Information System (INIS)

Nanzyo, M.

1986-01-01

Infrared absorption spectra of phosphate sorbed on iron hydroxide gel were obtained by applying the differential diffuse reflectance method. Absorption bands due to P-O stretching vibration were observed at 1,110 and 1,010 cm -1 at pH 12.3. With decreasing pH, these absorption bands gradually shifted to 1,100 and 1,020 cm -1 at pH 4.9. At pH 2.3, they became a broad single absorption band at 1,060 cm -1 . At pH 11 or above, the difference in the Na + adsorption between phosphated iron hydroxide gel and iron hydroxide gel was almost equal to the amount of phosphate sorption. This finding shows that phosphate was retained on the iron hydroxide gel surface as a bidentate ligand at a high pH. It was concluded that at a high pH phosphate was sorbed on iron hydroxide gel as a binuclear surface complex similar to that on goethite; the change in spectra for P-O stretching vibration with decreasing pH value was mainly caused by an increase in the fraction of amorphous iron phosphate; at pH 2.3, the phosphate sorption product consisted of amorphous iron phosphate. (author)

Near infrared photometry of violent star formation regions

International Nuclear Information System (INIS)

Melnick, J.; Terlevich, R.; Moles, M.

1985-01-01

Near infrared broad band photometry and CO indices for a significant number of Violent Star Formation Regions are presented. The existence of a narrow correlation between W (Hβ) and IR colour is confirmed. The interpretation of this relation as an age sequence implies a correlation between CO index and W(Hβ) which is not found. It is argued however that this failure is most likely a consequence of using narrow band filters to determine CO indices in objects with strong emission-line spectra. (author)

Indirect absorption spectroscopy using quantum cascade lasers: mid-infrared refractometry and photothermal spectroscopy.

Science.gov (United States)

Pfeifer, Marcel; Ruf, Alexander; Fischer, Peer

2013-11-04

We record vibrational spectra with two indirect schemes that depend on the real part of the index of refraction: mid-infrared refractometry and photothermal spectroscopy. In the former, a quantum cascade laser (QCL) spot is imaged to determine the angles of total internal reflection, which yields the absorption line via a beam profile analysis. In the photothermal measurements, a tunable QCL excites vibrational resonances of a molecular monolayer, which heats the surrounding medium and changes its refractive index. This is observed with a probe laser in the visible. Sub-monolayer sensitivities are demonstrated.

Non-intrusive measurement of emission indices. A new approach to the evaluation of infrared spectra emitted by aircraft engine exhaust gases

Energy Technology Data Exchange (ETDEWEB)

Lindermeir, E.; Haschberger, P.; Tank, V. [Deutsche Forschungsanstalt fuer Luft- und Raumfahrt e.V. (DLR), Wessling (Germany). Inst. fuer Optoelektronik

1997-12-31

A non-intrusive method is used to determine the emission indices of a research aircraft`s engine in-flight. The principle is based on the Fourier Transform Infrared Spectrometer MIROR which was specifically designed and built for operation aboard aircrafts. This device measures the spectrum of the infrared radiation emitted by the hot exhaust gas under cruise conditions. From these spectra mixing ratios and emission indices can be derived. An extension to previously applied evaluation schemes is proposed: Whereas formerly the plume was assumed a homogeneous layer of gas, temperature and concentration profiles are now introduced to the evaluation procedure. (author) 5 refs.

Infrared reflection spectra of multilayer epitaxial heterostructures with embedded InAs and GaAs layers

International Nuclear Information System (INIS)

Seredin, P. V.; Domashevskaya, E. P.; Lukin, A. N.; Arsent'ev, I. N.; Vinokurov, D. A.; Tarasov, I. S.

2008-01-01

The effect of the thickness of embedded InAs and GaAs layers on the infrared reflection spectra of lattice vibrations for AlInAs/InAs/AlInAs, InGaAs/GaAs/InGaAs, and AlInAs/InGaAs/GaAs/InGaAs/AlInAs multilayer epitaxial heterostructures grown by MOC hydride epitaxy on InP (100) substrates is studied. Relative stresses emerging in the layers surrounding the embedded layers with variation in the number of monolayers from which the quantum dots are formed and with variation the thickness of the layers themselves surrounding the embedded layers are evaluated.

FTIR spectra of whey and casein hydrolysates in relation to their functional properties

NARCIS (Netherlands)

Ven, van der C.; Muresan, S.; Gruppen, H.; Bont, D.B.A.; Merck, K.B.; Voragen, A.G.J.

2002-01-01

Mid-infrared spectra of whey and casein hydrolysates were recorded using Fourier transform infrared (FTIR) spectroscopy. Multivariate data analysis techniques were used to investigate the capacity of FTIR spectra to classify hydrolysates and to study the ability of the spectra to predict bitterness,

Vibrational Spectroscopy of Intramolecular Hydrogen Bonds in the Infrared and Near-Infrared Regions

DEFF Research Database (Denmark)

Schrøder, Sidsel Dahl

and 1,4-diaminobutane). Experimentally, the hydrogen bonds have been studied with vibrational spectroscopy in the infrared and near-infrared regions. The focus is primarily on spectra recorded in the near-infrared regions, which in these studies are dominated by O-H and N-H stretching overtones....... Overtone spectra have been recorded with intracavity laser photoacoustic laser spectroscopy and conventional long path absorption spectroscopy. Theoretically, a combination of electronic structure calculations and local mode models have been employed to guide the assignment of bands in the vibrational......,4-diaminobutane, no sign of intramolecular N-H···N hydrogen bonds were identified in the overtone spectra. However, theoretical analyzes indicate that intramolecular N-H···N hydrogen bonds are present in all three diamines if two hydrogen atoms on one of the methylene groups are substituted with triuoromethyl...

Computational study of the signature of hydrogen-bond strength on the infrared spectra of a hydrogen-bonded complex dissolved in a polar liquid

International Nuclear Information System (INIS)

Hanna, Gabriel; Geva, Eitan

2010-01-01

The signature of hydrogen-bond strength on the one- and two-dimensional infrared spectra of the hydrogen-stretch in a hydrogen-bonded complex dissolved in a polar liquid was investigated via mixed quantum-classical molecular dynamics simulations. Non-Condon effects were found to intensify with increasing hydrogen-bond strength and to shift oscillator strength from the stable configurations that correspond to the ionic and covalent tautomers into unstable configurations that correspond to the transition-state between them. The transition-state peak is observed to blue shift and increase in intensity with increasing hydrogen-bond strength, and to dominate the spectra in the case of a strong hydrogen-bond. It is argued that the application of multidimensional infrared spectroscopy in the region of the transition-state peak can provide a uniquely direct probe of the molecular events underlying breaking and forming of hydrogen-bonds in the condensed phase.

Multivariate analysis of ATR-FTIR spectra for assessment of oil shale organic geochemical properties

Science.gov (United States)

Washburn, Kathryn E.; Birdwell, Justin E.

2013-01-01

In this study, attenuated total reflectance (ATR) Fourier transform infrared spectroscopy (FTIR) was coupled with partial least squares regression (PLSR) analysis to relate spectral data to parameters from total organic carbon (TOC) analysis and programmed pyrolysis to assess the feasibility of developing predictive models to estimate important organic geochemical parameters. The advantage of ATR-FTIR over traditional analytical methods is that source rocks can be analyzed in the laboratory or field in seconds, facilitating more rapid and thorough screening than would be possible using other tools. ATR-FTIR spectra, TOC concentrations and Rock–Eval parameters were measured for a set of oil shales from deposits around the world and several pyrolyzed oil shale samples. PLSR models were developed to predict the measured geochemical parameters from infrared spectra. Application of the resulting models to a set of test spectra excluded from the training set generated accurate predictions of TOC and most Rock–Eval parameters. The critical region of the infrared spectrum for assessing S1, S2, Hydrogen Index and TOC consisted of aliphatic organic moieties (2800–3000 cm−1) and the models generated a better correlation with measured values of TOC and S2 than did integrated aliphatic peak areas. The results suggest that combining ATR-FTIR with PLSR is a reliable approach for estimating useful geochemical parameters of oil shales that is faster and requires less sample preparation than current screening methods.

Thermal Infrared Spectra of a Suite of Forsterite Samples and Ab-initio Modelling of theirs Spectra

Science.gov (United States)

Maturilli, A.; Stangarone, C.; Helbert, J.; Tribaudino, M.; Prencipe, M.

2017-12-01

Forsterite is the dominating component in olivine, a major constituent in ultrafemic rocks, as well as planetary bodies. Messenger X-ray spectrometer has shown that Mg-rich silicate minerals, such as enstatite and forsterite, dominate Mercury's surface (Weider et al 2012). A careful and detailed acquaintance with the forsterite spectral features and their dependence wrt environmental conditions on Mercury is needed to interpret the remote sensing data from previous and forthcoming missions. We propose an experimental vs calculation approach to reproduce and describe the spectral features of forsterite. TIR emissivity measurements are performed by the Planetary Spectroscopy Laboratory (PSL) of DLR. PSL offers the unique capability to measure the emissivity of samples at temperature up to 1000K under vacuum conditions. TIR emissivity and reflectance measurements are performed on 11 olivine samples having a different composition within the forsterite-fayalite series. When available, the sample has been measured in 2 different grain sizes (chameleon-like effects of Mercury surface already observed (Helbert et al. 2013), this study wants to point out the main spectral features due to the composition and temperature. Our results are used to create a theoretical background to interpret the high temperature infrared emissivity spectra from MERTIS onboard the ESA BepiColombo mission to Mercury (Helbert et al. 2010).

Predicting ambient aerosol Thermal Optical Reflectance (TOR) measurements from infrared spectra: organic carbon

Science.gov (United States)

Dillner, A. M.; Takahama, S.

2014-11-01

Organic carbon (OC) can constitute 50% or more of the mass of atmospheric particulate matter. Typically, the organic carbon concentration is measured using thermal methods such as Thermal-Optical Reflectance (TOR) from quartz fiber filters. Here, methods are presented whereby Fourier Transform Infrared (FT-IR) absorbance spectra from polytetrafluoroethylene (PTFE or Teflon) filters are used to accurately predict TOR OC. Transmittance FT-IR analysis is rapid, inexpensive, and non-destructive to the PTFE filters. To develop and test the method, FT-IR absorbance spectra are obtained from 794 samples from seven Interagency Monitoring of PROtected Visual Environment (IMPROVE) sites sampled during 2011. Partial least squares regression is used to calibrate sample FT-IR absorbance spectra to artifact-corrected TOR OC. The FTIR spectra are divided into calibration and test sets by sampling site and date which leads to precise and accurate OC predictions by FT-IR as indicated by high coefficient of determination (R2; 0.96), low bias (0.02 μg m-3, all μg m-3 values based on the nominal IMPROVE sample volume of 32.8 m-3), low error (0.08 μg m-3) and low normalized error (11%). These performance metrics can be achieved with various degrees of spectral pretreatment (e.g., including or excluding substrate contributions to the absorbances) and are comparable in precision and accuracy to collocated TOR measurements. FT-IR spectra are also divided into calibration and test sets by OC mass and by OM / OC which reflects the organic composition of the particulate matter and is obtained from organic functional group composition; this division also leads to precise and accurate OC predictions. Low OC concentrations have higher bias and normalized error due to TOR analytical errors and artifact correction errors, not due to the range of OC mass of the samples in the calibration set. However, samples with low OC mass can be used to predict samples with high OC mass indicating that the

Theoretical modeling of infrared spectra of the hydrogen and deuterium bond in aspirin crystal

Science.gov (United States)

Ghalla, Houcine; Rekik, Najeh; Michta, Anna; Oujia, Brahim; Flakus, Henryk T.

2010-01-01

An extended quantum theoretical approach of the ν IR lineshape of cyclic dimers of weakly H-bonded species is proposed. We have extended a previous approach [M.E.-A. Benmalti, P. Blaise, H.T. Flakus, O. Henri-Rousseau, Chem. Phys. 320 (2006) 267] by accounting for the anharmonicity of the slow mode which is described by a "Morse" potential in order to reproduce the polarized infrared spectra of the hydrogen and deuterium bond in acetylsalicylic acid (aspirin) crystals. From comparison of polarized IR spectra of isotopically neat and isotopically diluted aspirin crystals it resulted that centrosymmetric aspirin dimer was the bearer of the crystal main spectral properties. In this approach, the adiabatic approximation is performed for each separate H-bond bridge of the dimer and a strong non-adiabatic correction is introduced into the model via the resonant exchange between the fast mode excited states of the two moieties. Within the strong anharmonic coupling theory, according to which the X-H→⋯Y high-frequency mode is anharmonically coupled to the H-bond bridge, this model incorporated the Davydov coupling between the excited states of the two moieties, the quantum direct and indirect dampings and the anharmonicity for the H-bond bridge. The spectral density is obtained within the linear response theory by Fourier transform of the damped autocorrelation functions. The evaluated spectra are in fairly good agreement with the experimental ones by using a minimum number of independent parameters. The effect of deuteration has been well reproduced by reducing simply the angular frequency of the fast mode and the anharmonic coupling parameter.

Parallel β-sheet vibrational couplings revealed by 2D IR spectroscopy of an isotopically labeled macrocycle: quantitative benchmark for the interpretation of amyloid and protein infrared spectra.

Science.gov (United States)

Woys, Ann Marie; Almeida, Aaron M; Wang, Lu; Chiu, Chi-Cheng; McGovern, Michael; de Pablo, Juan J; Skinner, James L; Gellman, Samuel H; Zanni, Martin T

2012-11-21

Infrared spectroscopy is playing an important role in the elucidation of amyloid fiber formation, but the coupling models that link spectra to structure are not well tested for parallel β-sheets. Using a synthetic macrocycle that enforces a two stranded parallel β-sheet conformation, we measured the lifetimes and frequency for six combinations of doubly (13)C═(18)O labeled amide I modes using 2D IR spectroscopy. The average vibrational lifetime of the isotope labeled residues was 550 fs. The frequencies of the labels ranged from 1585 to 1595 cm(-1), with the largest frequency shift occurring for in-register amino acids. The 2D IR spectra of the coupled isotope labels were calculated from molecular dynamics simulations of a series of macrocycle structures generated from replica exchange dynamics to fully sample the conformational distribution. The models used to simulate the spectra include through-space coupling, through-bond coupling, and local frequency shifts caused by environment electrostatics and hydrogen bonding. The calculated spectra predict the line widths and frequencies nearly quantitatively. Historically, the characteristic features of β-sheet infrared spectra have been attributed to through-space couplings such as transition dipole coupling. We find that frequency shifts of the local carbonyl groups due to nearest neighbor couplings and environmental factors are more important, while the through-space couplings dictate the spectral intensities. As a result, the characteristic absorption spectra empirically used for decades to assign parallel β-sheet secondary structure arises because of a redistribution of oscillator strength, but the through-space couplings do not themselves dramatically alter the frequency distribution of eigenstates much more than already exists in random coil structures. Moreover, solvent exposed residues have amide I bands with >20 cm(-1) line width. Narrower line widths indicate that the amide I backbone is solvent

A NEAR-INFRARED SPECTROSCOPIC STUDY OF YOUNG FIELD ULTRACOOL DWARFS

Energy Technology Data Exchange (ETDEWEB)

Allers, K. N. [Department of Physics and Astronomy, Bucknell University, Lewisburg, PA 17837 (United States); Liu, Michael C., E-mail: k.allers@bucknell.edu [Institute for Astronomy, University of Hawaii, 2680 Woodlawn Drive, Honolulu, HI 96822 (United States)

2013-08-01

We present a near-infrared (0.9-2.4 {mu}m) spectroscopic study of 73 field ultracool dwarfs having spectroscopic and/or kinematic evidence of youth ( Almost-Equal-To 10-300 Myr). Our sample is composed of 48 low-resolution (R Almost-Equal-To 100) spectra and 41 moderate-resolution spectra (R {approx}> 750-2000). First, we establish a method for spectral typing M5-L7 dwarfs at near-IR wavelengths that is independent of gravity. We find that both visual and index-based classification in the near-IR provides consistent spectral types with optical spectral types, though with a small systematic offset in the case of visual classification at J and K band. Second, we examine features in the spectra of {approx}10 Myr ultracool dwarfs to define a set of gravity-sensitive indices based on FeH, VO, K I, Na I, and H-band continuum shape. We then create an index-based method for classifying the gravities of M6-L5 dwarfs that provides consistent results with gravity classifications from optical spectroscopy. Our index-based classification can distinguish between young and dusty objects. Guided by the resulting classifications, we propose a set of low-gravity spectral standards for the near-IR. Finally, we estimate the ages corresponding to our gravity classifications.

Measurement and modelization of silica opal reflection properties: Optical determination of the silica index

Science.gov (United States)

Avoine, Amaury; Hong, Phan Ngoc; Frederich, Hugo; Frigerio, Jean-Marc; Coolen, Laurent; Schwob, Catherine; Nga, Pham Thu; Gallas, Bruno; Maître, Agnès

2012-10-01

Self-assembled artificial opals (in particular silica opals) constitute a model system to study the optical properties of three-dimensional photonic crystals. The silica optical index is a key parameter to correctly describe an opal but is difficult to measure at the submicrometer scale and usually treated as a free parameter. Here, we propose a method to extract the silica index from the opal reflection spectra and we validate it by comparison with two independent methods based on infrared measurements. We show that this index gives a correct description of the opal reflection spectra, either by a band structure or by a Bragg approximation. In particular, we are able to provide explanations in quantitative agreement with the measurements for two features : the observation of a second reflection peak in specular direction, and the quasicollapse of the p-polarized main reflection peak at a typical angle of 54∘.

Control of Refining Processes on Mid-Distillates by Near Infrared Spectroscopy

Directory of Open Access Journals (Sweden)

Zanier-Szydlowski N.

1999-07-01

Full Text Available The purpose of this paper is to demonstrate the accuracy of physicochemical determinations based on equations calculated by multivariate analysis of near infrared spectra which gives access to simultaneous analyses both on-line and off-line. Detailed results concerning the determination of the refractive index at 20°C, the density, the weight% of hydrogen, the % of aromatic carbon, the weight% of mono-, di- and total aromatics and the cetane number on mid-distillates are given in a shorter time than using the conventional approach by standardized methods. It is shown that near infrared spectroscopy combined with chemometrics should allow detailed and precise comparisons of the hydrotreatment process efficiencies.

Infrared refractive index of thin YBa2Cu3O7 superconducting films

International Nuclear Information System (INIS)

Zhang, Z.M.; Choi, B.I.; Le, T.A.; Flik, M.I.; Siegal, M.P.; Phillips, J.M.

1992-01-01

This work investigates whether thin-film optics with a constant refractive index can be applied to high-T c superconducting thin films. The reflectance and transmittance of YBa 2 Cu 3 O 7 films on LaAlO 3 substrates are measured using a Fourier-transform infrared spectrometer at wavelengths from 1 to 100 μm at room temperature. The reflectance of these superconducting films at 10K in the wavelength region from 2.5 to 25 μm is measured using a cryogenic reflectance accessory. The film thickness varies from 10 to 200 nm. By modeling the frequency-dependent complex conductivity in the normal and superconducting states and applying electromagnetic-wave theory, the complex refractive index of YBa 2 Cu 3 O 7 films is obtained with a fitting technique. It is found that a thickness-independent refractive index can be applied even to a 25nm film, and average values of the spectral refractive index for film thicknesses between 25 and 200 nm are recommended for engineering applications

Experimental determination of soot refractive index in the infrared

International Nuclear Information System (INIS)

Ouf, F.X.; Vendel, J.; Ouf, F.X.; Coppalle, A.; Weil, M.E.; Yon, J.

2007-01-01

The study of physical properties of soot particles produced during combustion is a complex subject but of a great interest within the framework of the study of the safety of an installation, with respect to the fire hazard. These characteristics are, in this case, particularly useful in order to predict the behaviour of containment barriers in situation of fire, but also in order to estimate the contribution of these particles to radiative transfers. The aim of this study is to determine the radiative properties of soot particles produced during combustion. A specific device, which establishes extinction and vertical-vertical scattering coefficients, has been developed and has allowed to determine the refractive index of soot particles in the infrared. This determination also needed the establishment of size distribution and morphological properties of soot aggregates. We present in this document the experimental device developed, and the validation of this device on latex spheres which optical properties are well known. First results of extinction coefficients will be presented and will underline the similar optical behaviour of different soot aggregates. Values of refractive index will be detailed and discussed, and a direct application of these values will be carried out in order to determine the soot volume fraction. A comparison with reference method will underline the efficiency of our method. We will conclude on the validity of the information brought by this device and on the prospects of this study. A discussion is included, on the utility of mean values of refractive index and on the determination of total emissivity of soot particles. (authors)

MID-INFRARED PROPERTIES OF DISK AVERAGED OBSERVATIONS OF EARTH WITH AIRS

International Nuclear Information System (INIS)

Hearty, Thomas; Song, Inseok; Kim, Sam; Tinetti, Giovanna

2009-01-01

We have investigated mid-infrared spectra of Earth obtained by the Atmospheric Infrared Sounder (AIRS) instrument on-board the AQUA spacecraft to explore the characteristics that may someday be observed in extrasolar terrestrial planets. We have used the AIRS infrared (R ∼ 1200; 3.75-15.4 μm) spectra to construct directly observed high-resolution spectra of the only known life bearing planet, Earth. The AIRS spectra are the first such spectra that span the seasons. We investigate the rotational and seasonal spectral variations that would arise due to varying cloud amount and viewing geometry and we explore what signatures may be observable in the mid-infrared by the next generation of telescopes capable of observing extrasolar terrestrial planets.

Assignment of phantom bands in the solid-state infrared and Raman spectra of coronene: the importance of a minute out-of-plane distortion

NARCIS (Netherlands)

Todorov, P.D.; Jenneskens, L.W.; van Lenthe, J.H.

2010-01-01

The molecular geometry and the normal modes properties of coronene are investigated by means of DFT B3LYP and restricted/Hartree–Fock calculations utilizing basis sets of triple zeta +polarization quality. The interpretation of the infrared and Raman spectra of coronene, especially in solid state,

Predicting ambient aerosol thermal-optical reflectance measurements from infrared spectra: elemental carbon

Science.gov (United States)

Dillner, A. M.; Takahama, S.

2015-10-01

Elemental carbon (EC) is an important constituent of atmospheric particulate matter because it absorbs solar radiation influencing climate and visibility and it adversely affects human health. The EC measured by thermal methods such as thermal-optical reflectance (TOR) is operationally defined as the carbon that volatilizes from quartz filter samples at elevated temperatures in the presence of oxygen. Here, methods are presented to accurately predict TOR EC using Fourier transform infrared (FT-IR) absorbance spectra from atmospheric particulate matter collected on polytetrafluoroethylene (PTFE or Teflon) filters. This method is similar to the procedure developed for OC in prior work (Dillner and Takahama, 2015). Transmittance FT-IR analysis is rapid, inexpensive and nondestructive to the PTFE filter samples which are routinely collected for mass and elemental analysis in monitoring networks. FT-IR absorbance spectra are obtained from 794 filter samples from seven Interagency Monitoring of PROtected Visual Environment (IMPROVE) sites collected during 2011. Partial least squares regression is used to calibrate sample FT-IR absorbance spectra to collocated TOR EC measurements. The FT-IR spectra are divided into calibration and test sets. Two calibrations are developed: one developed from uniform distribution of samples across the EC mass range (Uniform EC) and one developed from a uniform distribution of Low EC mass samples (EC < 2.4 μg, Low Uniform EC). A hybrid approach which applies the Low EC calibration to Low EC samples and the Uniform EC calibration to all other samples is used to produce predictions for Low EC samples that have mean error on par with parallel TOR EC samples in the same mass range and an estimate of the minimum detection limit (MDL) that is on par with TOR EC MDL. For all samples, this hybrid approach leads to precise and accurate TOR EC predictions by FT-IR as indicated by high coefficient of determination (R2; 0.96), no bias (0.00 μg m-3, a

Influence of spectral resolution, spectral range and signal-to-noise ratio of Fourier transform infra-red spectra on identification of high explosive substances

Science.gov (United States)

Banas, Krzysztof; Banas, Agnieszka M.; Heussler, Sascha P.; Breese, Mark B. H.

2018-01-01

In the contemporary spectroscopy there is a trend to record spectra with the highest possible spectral resolution. This is clearly justified if the spectral features in the spectrum are very narrow (for example infra-red spectra of gas samples). However there is a plethora of samples (in the liquid and especially in the solid form) where there is a natural spectral peak broadening due to collisions and proximity predominately. Additionally there is a number of portable devices (spectrometers) with inherently restricted spectral resolution, spectral range or both, which are extremely useful in some field applications (archaeology, agriculture, food industry, cultural heritage, forensic science). In this paper the investigation of the influence of spectral resolution, spectral range and signal-to-noise ratio on the identification of high explosive substances by applying multivariate statistical methods on the Fourier transform infra-red spectral data sets is studied. All mathematical procedures on spectral data for dimension reduction, clustering and validation were implemented within R open source environment.

Accurate Molecular Orientation Analysis Using Infrared p-Polarized Multiple-Angle Incidence Resolution Spectrometry (pMAIRS) Considering the Refractive Index of the Thin Film Sample.

Science.gov (United States)

Shioya, Nobutaka; Shimoaka, Takafumi; Murdey, Richard; Hasegawa, Takeshi

2017-06-01

Infrared (IR) p-polarized multiple-angle incidence resolution spectrometry (pMAIRS) is a powerful tool for analyzing the molecular orientation in an organic thin film. In particular, pMAIRS works powerfully for a thin film with a highly rough surface irrespective of degree of the crystallinity. Recently, the optimal experimental condition has comprehensively been revealed, with which the accuracy of the analytical results has largely been improved. Regardless, some unresolved matters still remain. A structurally isotropic sample, for example, yields different peak intensities in the in-plane and out-of-plane spectra. In the present study, this effect is shown to be due to the refractive index of the sample film and a correction factor has been developed using rigorous theoretical methods. As a result, with the use of the correction factor, organic materials having atypical refractive indices such as perfluoroalkyl compounds ( n = 1.35) and fullerene ( n = 1.83) can be analyzed with high accuracy comparable to a compound having a normal refractive index of approximately 1.55. With this improved technique, we are also ready for discriminating an isotropic structure from an oriented sample having the magic angle of 54.7°.

Introduction to experimental infrared spectroscopy fundamentals and practical methods

CERN Document Server

Tasumi, Mitsuo; Ochiai, Shukichi

2014-01-01

Infrared spectroscopy is generally understood to mean the science of spectra relating to infrared radiation, namely electromagnetic waves, in the wavelength region occurring intermediately between visible light and microwaves. Measurements of infrared spectra have been providing useful information, for a variety of scientific research and industrial studies, for over half a century; this is set to continue in the foreseeable future. Introduction to Experimental Infrared Spectroscopy is intended to be a handy guide for those who have no, or limited, experience in infrared spectroscopi

Thermal Infrared and Visible to Near-Infrared Spectral Analysis of Chert and Amorphous Silica

Science.gov (United States)

McDowell, M. L.; Hamilton, V. E.; Cady, S. L.; Knauth, P.

2009-03-01

We look in detail at the thermal infrared and visible to near-infrared spectra of various forms of chert and amorphous silica and compare the spectral variations between samples with variations in physical and chemical characteristics.

Understanding the interface between silicon-based materials and water: Molecular-dynamics exploration of infrared spectra

Directory of Open Access Journals (Sweden)

José A. Martinez-Gonzalez

2017-11-01

Full Text Available Molecular-dynamics simulations for silicon, hydrogen- and hydroxyl-terminated silicon in contact with liquid water, at 220 and 300 K, display water-density ‘ordering’ along the laboratory z-axis, emphasising the hydrophobicity of the different systems and the position of this first adsorbed layer. Density of states (DOS of the oxygen and proton velocity correlation functions (VACFs and infrared (IR spectra of the first monolayer of adsorbed water, calculated via Fourier transformation, indicate similarities to more confined, ice-like dynamical behaviour (redolent of ice. It was observed that good qualitative agreement is obtained between the DOS for this first layer in all systems. The DOS for the lower-frequency zone indicates that for the interface studied (i.e., the first layer near the surface, the water molecules try to organise in a similar form, and that this form is intermediate between liquid water and ice. For IR spectra, scrutiny of the position of the highest-intensity peaks for the stretching and bending bands indicate that such water molecules in the first solvating layer are organised in an intermediate fashion between ice and liquid water.

Partial least squares modeling of combined infrared, 1H NMR and 13C NMR spectra to predict long residue properties of crude oils

NARCIS (Netherlands)

de Peinder, P.; Visser, T.; Petrauskas, D.D.; Salvatori, F.; Soulimani, F.; Weckhuysen, B.M.

2009-01-01

Research has been carried out to determine the potential of partial least squares (PLS) modeling of mid-infrared (IR) spectra of crude oils combined with the corresponding 1H and 13C nuclear magnetic resonance (NMR) data, to predict the long residue (LR) properties of these substances. The study

New Fe i Level Energies and Line Identifications from Stellar Spectra. II. Initial Results from New Ultraviolet Spectra of Metal-poor Stars

Energy Technology Data Exchange (ETDEWEB)

Peterson, Ruth C. [SETI Institute and Astrophysical Advances, 607 Marion Place, Palo Alto, CA 94301 (United States); Kurucz, Robert L. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Ayres, Thomas R., E-mail: peterson@ucolick.org [Center for Astrophysics and Space Astronomy, University of Colorado, 389 UCB, Boulder, CO 80309-0389 (United States)

2017-04-01

The Fe i spectrum is critical to many areas of astrophysics, yet many of the high-lying levels remain uncharacterized. To remedy this deficiency, Peterson and Kurucz identified Fe i lines in archival ultraviolet and optical spectra of metal-poor stars, whose warm temperatures favor moderate Fe i excitation. Sixty-five new levels were recovered, with 1500 detectable lines, including several bound levels in the ionization continuum of Fe i. Here, we extend the previous work by identifying 59 additional levels, with 1400 detectable lines, by incorporating new high-resolution UV spectra of warm metal-poor stars recently obtained by the Hubble Space Telescope Imaging Spectrograph. We provide gf values for these transitions, both computed as well as adjusted to fit the stellar spectra. We also expand our spectral calculations to the infrared, confirming three levels by matching high-quality spectra of the Sun and two cool stars in the H -band. The predicted gf values suggest that an additional 3700 Fe i lines should be detectable in existing solar infrared spectra. Extending the empirical line identification work to the infrared would help confirm additional Fe i levels, as would new high-resolution UV spectra of metal-poor turnoff stars below 1900 Å.

Far infrared supplement: Catalog of infrared observations, second edition

International Nuclear Information System (INIS)

Gezari, D.Y.; Schmitz, M.; Mead, J.M.

1988-08-01

The Far Infrared Supplement: Catalog of Infrared Observations summarizes all infrared astronomical observations at far infrared wavelengths (5 to 1000 microns) published in the scientific literature from 1965 through 1986. The Supplement list contain 25 percent of the observations in the full Catalog of Infrared Observations (CIO), and essentially eliminates most visible stars from the listings. The Supplement is thus more compact than the main catalog, and is intended for easy reference during astronomical observations. The Far Infrared Supplement (2nd Edition) includes the Index of Infrared Source Positions and the Bibliography of Infrared Astronomy for the subset of far infrared observations listed

Fourier transform infrared spectra applications to chemical systems

CERN Document Server

Ferraro, John R

1978-01-01

Fourier Transform Infrared Spectroscopy: Applications to Chemical Systems presents the chemical applications of the Fourier transform interferometry (FT-IR).The book contains discussions on the applications of FT-IR in the fields of chromatography FT-IR, polymers and biological macromolecules, emission spectroscopy, matrix isolation, high-pressure interferometry, and far infrared interferometry. The final chapter is devoted to the presentation of the use of FT-IR in solving national technical problems such as air pollution, space exploration, and energy related subjects.Researc

The Infrared Spectra of Polycyclic Aromatic Hydrocarbons with Excess Peripheral H Atoms (H(sub n)-PAHs) and their Relation to the 3.4 and 6.9 Micrometer PAH Emission Features

Science.gov (United States)

Sandford, Scott A.; Bernstein, Max P.; Materese, Christopher K.

2013-01-01

A population of polycyclic aromatic hydrocarbons (PAHs) and related materials are thought to be responsible for the family of infrared emission features that are seen towards a wide variety of astrophysical environments. A potentially important subclass of these materials are polycyclic aromatic hydrocarbons whose edges contain excess H atoms (H(sub n)-PAHs). While it has been suggested that this type of compound may be present in the interstellar population, it has been difficult to properly assess this possibility because of a lack of suitable infrared laboratory spectra to assist with analysis of the astronomical data. We present the 4000-500 cm(exp -1) (2.5-20 micrometers) infrared spectra of 23 H(sub n)-PAHs and related molecules isolated in argon matrices, under conditions suitable for use in the interpretation of astronomical data. The spectra of molecules with mixed aromatic and aliphatic domains show unique characteristics that distinguish them from their fully aromatic PAH equivalents. We discuss the changes to the spectra of these types of molecules as they transition from fully aromatic to fully aliphatic forms. The implications for the interpretation of astronomical spectra are discussed with specific emphasis on the 3.4 and 6.9 micrometer features. Laboratory data is compared with emission spectra from IRAS 21282+5050, an object with normal PAH emission features, in addition to IRAS 22272+5435 and IRAS 0496+3429, two protoplanetary nebulae with abnormally large 3.4 micrometer features. We show that 'normal' PAH emission objects contain relatively few H(sub n)-PAHs in their emitter populations, but less evolved protoplanetary nebulae may contain significant abundances of these molecules.

Critical Dispersion-Theory Tests of Silicon's IR Refractive Index

Science.gov (United States)

Karstens, William; Smith, D. Y.

Silicon strongly absorbs both visible and UV light, but is highly transparent in the IR. Hence, it is a common choice for infrared windows and lenses. However, optical design is hindered by literature index values that disagree by up to 1%. In contrast optical-glass indices are known to 0.01% or better. The most widely available silicon IR indices are based on bulk measurements using either Snell's-Law refraction by a prism or channel-spectra interference of front- and backsurface reflections from a planar sample. To test the physical acceptability of these data, we have developed criteria based on a Taylor expansion of the Kramers-Kronig relation for the index at energies below strong inter-band transitions. These tests require that the coefficients of the series in powers of energy squared must be positive within the region of transparency. This is satisfied by essentially all prism measurements; their small scatter arises primarily from impurities and doping. In contrast, channel-spectra data fail in the second and third coefficients. A review of the experimental analysis indicates three problems besides purity: incorrect channel number arising from a channel-spectra model that neglects spectrum distortion by the weak lattice absorption; use of a series expansion of mixed parity in photon energy to describe the even-parity index; and use of an incorrect absorption energy in the Li-Sellmeier dispersion formula. Recommendations for IR index values for pure silicon will be discussed. Supported in part by the US Department of Energy, Office of Science, Office of Nuclear Physics under contract DE-AC02-06CH11357.

Mid-infrared upconversion spectroscopy

DEFF Research Database (Denmark)

Tidemand-Lichtenberg, Peter; Dam, Jeppe Seidelin; Andersen, H. V.

2016-01-01

Mid-infrared (MIR) spectroscopy is emerging as an attractive alternative to near-infrared or visible spectroscopy. MIR spectroscopy offers a unique possibility to probe the fundamental absorption bands of a large number of gases as well as the vibrational spectra of complex molecules. In this paper...

Downwelling Far-Infrared Radiance Spectra Measured by FIRST at Cerro Toco, Chile

Science.gov (United States)

Mast, J. C.; Mlynczak, M. G.; Cageao, R.; Kratz, D. P.; Latvakoski, H.; Johnson, D. G.; Mlawer, E. J.; Turner, D. D.

2015-12-01

The Far-Infrared Spectroscopy of the Troposphere (FIRST) instrument is a Fourier transform spectrometer developed by NASA Langley Research Center in collaboration with the Space Dynamics Laboratory and the Harvard-Smithsonian Center for Astrophysics. FIRST was initially developed for measuring the far-infrared portion of Earth's longwave spectrum as a balloon borne instrument and later was reconfigured to operate as a ground-based instrument. In its current ground-based configuration FIRST was deployed at 17500 ft on Cerro Toco, a mountain in the Atacama Desert of Chile, from August to October, 2009. There the integrated precipitable water (IPW) was as low as 0.02 cm. FIRST measurements from days with IPW between 0.024 and 0.035 cm during the campaign are presented here between 200 cm-1 and 800 cm-1. Significant spectral development in the far-IR is observed over the entire 200 cm-1 to 800 cm-1 band. Water vapor and temperature profiles from radiosonde and GVRP measurements are used as inputs to the AER Line-by-Line Radiative Transfer Model (LBLRTM) utilizing the AER v3.2 line parameter database. Uncertainties in both the measured and modeled radiances are accounted for in this study. The residual LBLRTM - FIRST is calculated to assess agreement between the measured and modeled spectra. Measured and model radiances generally agree to within the combined uncertainties for wavenumbers greater than 360 cm-1. At wavenumbers less than 360 cm-1 persistent troughs in the residual are present outside of the combined uncertainties. These features are present on different days and at different water vapor amounts. Possible solutions for these features are discussed.

Far Infrared spectroscopy of proteinogenic and other less common amino acids

Science.gov (United States)

Iglesias-Groth, S.; Cataldo, F.

2018-05-01

Far infrared spectroscopy is a powerful tool complementing the potential of mid infrared spectroscopy for the search and identification of organic molecules in space. The far infrared spectra of a total of 29 amino acids are reported in this study. In addition to the spectra of 20 common proteinogenic amino acids, spectra of a selection of 9 non-proteinogenic amino acids are also reported, including the 2-aminoisobutyric acid or α-aminoisobutyric acid which, with glycine, it is one of the most abundant amino acids found in meteorites. The present database of 29 far infrared spectra may serve as reference in the search for amino acids in space environments, given the new apportunities that JWST offers for mid and far IR spectroscopy.

HARDERSEN IRTF ASTEROID NIR REFLECTANCE SPECTRA V1.0

Data.gov (United States)

National Aeronautics and Space Administration — This dataset includes average near-infrared (NIR) reflectance spectra for 68 main-belt asteroids that were observed at the NASA Infrared Telescope Facility (IRTF),...

[Analysis of the stability and adaptability of near infrared spectra qualitative analysis model].

Science.gov (United States)

Cao, Wu; Li, Wei-jun; Wang, Ping; Zhang, Li-ping

2014-06-01

The stability and adaptability of model of near infrared spectra qualitative analysis were studied. Method of separate modeling can significantly improve the stability and adaptability of model; but its ability of improving adaptability of model is limited. Method of joint modeling can not only improve the adaptability of the model, but also the stability of model, at the same time, compared to separate modeling, the method can shorten the modeling time, reduce the modeling workload; extend the term of validity of model, and improve the modeling efficiency. The experiment of model adaptability shows that, the correct recognition rate of separate modeling method is relatively low, which can not meet the requirements of application, and joint modeling method can reach the correct recognition rate of 90%, and significantly enhances the recognition effect. The experiment of model stability shows that, the identification results of model by joint modeling are better than the model by separate modeling, and has good application value.

Matrix radiolysis and photoionization of CFCl3. Infrared spectra of CFCl+2 and the parent cation

International Nuclear Information System (INIS)

Prochaska, F.T.; Andrews, L.

1978-01-01

The ''Freon'' compound CFCl 3 has been subjected to radiolysis and photoionization during condensation with excess argon at 15 K. Infrared spectra of the matrix samples identified stable and free radical products and new absorptions which are attributed to charged species. The molecular ion bands exhibited three different behavior patterns on filtered mercury arc photolysis: The most photosensitive bands, destroyed by 420--1000 nm light, are assigned to the parent cation; several absorptions which photodissociated with 290--1000 nm radiation are due to a molecular anionic species; and new bands reduced by 220--1000 nm light are assigned to the daughter cation CFCl + 2 . The vibrational assignments were confirmed by carbon-13 substitution

Communications: On artificial frequency shifts in infrared spectra obtained from centroid molecular dynamics: Quantum liquid water

Science.gov (United States)

Ivanov, Sergei D.; Witt, Alexander; Shiga, Motoyuki; Marx, Dominik

2010-01-01

Centroid molecular dynamics (CMD) is a popular method to extract approximate quantum dynamics from path integral simulations. Very recently we have shown that CMD gas phase infrared spectra exhibit significant artificial redshifts of stretching peaks, due to the so-called "curvature problem" imprinted by the effective centroid potential. Here we provide evidence that for condensed phases, and in particular for liquid water, CMD produces pronounced artificial redshifts for high-frequency vibrations such as the OH stretching band. This peculiar behavior intrinsic to the CMD method explains part of the unexpectedly large quantum redshifts of the stretching band of liquid water compared to classical frequencies, which is improved after applying a simple and rough "harmonic curvature correction."

Predicting ambient aerosol thermal-optical reflectance (TOR) measurements from infrared spectra: organic carbon

Science.gov (United States)

Dillner, A. M.; Takahama, S.

2015-03-01

Organic carbon (OC) can constitute 50% or more of the mass of atmospheric particulate matter. Typically, organic carbon is measured from a quartz fiber filter that has been exposed to a volume of ambient air and analyzed using thermal methods such as thermal-optical reflectance (TOR). Here, methods are presented that show the feasibility of using Fourier transform infrared (FT-IR) absorbance spectra from polytetrafluoroethylene (PTFE or Teflon) filters to accurately predict TOR OC. This work marks an initial step in proposing a method that can reduce the operating costs of large air quality monitoring networks with an inexpensive, non-destructive analysis technique using routinely collected PTFE filter samples which, in addition to OC concentrations, can concurrently provide information regarding the composition of organic aerosol. This feasibility study suggests that the minimum detection limit and errors (or uncertainty) of FT-IR predictions are on par with TOR OC such that evaluation of long-term trends and epidemiological studies would not be significantly impacted. To develop and test the method, FT-IR absorbance spectra are obtained from 794 samples from seven Interagency Monitoring of PROtected Visual Environment (IMPROVE) sites collected during 2011. Partial least-squares regression is used to calibrate sample FT-IR absorbance spectra to TOR OC. The FTIR spectra are divided into calibration and test sets by sampling site and date. The calibration produces precise and accurate TOR OC predictions of the test set samples by FT-IR as indicated by high coefficient of variation (R2; 0.96), low bias (0.02 μg m-3, the nominal IMPROVE sample volume is 32.8 m3), low error (0.08 μg m-3) and low normalized error (11%). These performance metrics can be achieved with various degrees of spectral pretreatment (e.g., including or excluding substrate contributions to the absorbances) and are comparable in precision to collocated TOR measurements. FT-IR spectra are also

Predicting ambient aerosol Thermal Optical Reflectance (TOR) measurements from infrared spectra: elemental carbon

Science.gov (United States)

Dillner, A. M.; Takahama, S.

2015-06-01

Elemental carbon (EC) is an important constituent of atmospheric particulate matter because it absorbs solar radiation influencing climate and visibility and it adversely affects human health. The EC measured by thermal methods such as Thermal-Optical Reflectance (TOR) is operationally defined as the carbon that volatilizes from quartz filter samples at elevated temperatures in the presence of oxygen. Here, methods are presented to accurately predict TOR EC using Fourier Transform Infrared (FT-IR) absorbance spectra from atmospheric particulate matter collected on polytetrafluoroethylene (PTFE or Teflon) filters. This method is similar to the procedure tested and developed for OC in prior work (Dillner and Takahama, 2015). Transmittance FT-IR analysis is rapid, inexpensive, and non-destructive to the PTFE filter samples which are routinely collected for mass and elemental analysis in monitoring networks. FT-IR absorbance spectra are obtained from 794 filter samples from seven Interagency Monitoring of PROtected Visual Environment (IMPROVE) sites collected during 2011. Partial least squares regression is used to calibrate sample FT-IR absorbance spectra to collocated TOR EC measurements. The FTIR spectra are divided into calibration and test sets. Two calibrations are developed, one which is developed from uniform distribution of samples across the EC mass range (Uniform EC) and one developed from a~uniform distribution of low EC mass samples (EC < 2.4 μg, Low Uniform EC). A hybrid approach which applies the low EC calibration to low EC samples and the Uniform EC calibration to all other samples is used to produces predictions for low EC samples that have mean error on par with parallel TOR EC samples in the same mass range and an estimate of the minimum detection limit (MDL) that is on par with TOR EC MDL. For all samples, this hybrid approach leads to precise and accurate TOR EC predictions by FT-IR as indicated by high coefficient of variation (R2; 0.96), no

Infrared Fe II lines in Eta Carinae and a possible interpretation of infrared excesses

International Nuclear Information System (INIS)

Thackeray, A.D.

1978-01-01

The identification of very strong emission lines in the near infrared spectrum of Eta Carinae with newly recognised high-level transitions of Fe II raises the possibility that the infrared excesses of hot emission-line stars may be due to dielectronic recombination of Fe II. Johansson's Fe II lines also need to be considered in the interpretation of the infrared spectra of supernovae. (author)

Optimization of experimental conditions for the installation of an infrared spectra library for the characterization of sulfato and thio-sulfato-reducing bacteria

International Nuclear Information System (INIS)

Boudaud, N.; Carayon, A.; Amiel, C.; Mariey, L.; Travert, J.

2005-01-01

The presence of particular bacteria strains in bio-films can accelerate corrosion process or induce auspicious corrosion conditions. Bacteria most often described to be aggressive against metallic materials are Sulfato and Thio-sulfato Reducing Bacteria (SRB and TRB). Preliminary studies showed the potentialities of Fourier Transform InfraRed (FTIR) Spectroscopy for the discrimination of these two groups. The realization of a reference spectra library requires the working out of common standardized culture conditions for the whole flora studied. A first spectra library including 6 SRB and 6 TRB collection strains was achieved. Hierarchical cluster analysis of the spectra of these twelve strains allows to obtain three distinct clusters (SRB, TRB and mixed cluster), and to discriminate these strains at the genus level (11 out of 12) and at the species level (12 out of 12). Ten strains isolated from the environment were tested on this spectra library. The enrichment of the database will enable us to carry on the identification of higher number of wild SRB and TRB strains. (authors)

A rapid method to screen for cell-wall mutants using discriminant analysis of Fourier transform infrared spectra

International Nuclear Information System (INIS)

Chen LiMei; Carpita, N.C.; Reiter, W.D.; Wilson, R.H.; Jeffries, C.; McCann, M.C.

1998-01-01

We have developed a rapid method to screen large numbers of mutant plants for a broad range of cell wall phenotypes using Fourier transform infrared (FTIR) microspectroscopy of leaves. We established and validated a model that can discriminate between the leaves of wild-type and a previously defined set of cell-wall mutants of Arabidopsis. Exploratory principal component analysis indicated that mutants deficient in different cell-wall sugars can be distinguished from each other. Discrimination of cell-wall mutants from wild-type was independent of variability in starch content or additional unrelated mutations that might be present in a heavily mutagenised population. We then developed an analysis of FTIR spectra of leaves obtained from over 1000 mutagenised flax plants, and selected 59 plants whose spectral variation from wild-type was significantly out of the range of a wild-type population, determined by Mahalanobis distance. Cell wall sugars from the leaves of selected putative mutants were assayed by gas chromatography-mass spectrometry and 42 showed significant differences in neutral sugar composition. The FTIR spectra indicated that six of the remaining 17 plants have altered ester or protein content. We conclude that linear discriminant analysis of FTIR spectra is a robust method to identify a broad range of structural and architectural alterations in cell walls, appearing as a consequence of developmental regulation, environmental adaptation or genetic modification. (author)

Comment on "A spectroscopic comparison of selected Chinese kaolinite, coal bearing kaolinite and halloysite--a mid-infrared and near-infrared study" and "Infrared and infrared emission spectroscopic study of typical Chinese kaolinite and halloysite" by Hongfei Cheng et al. (2010).

Science.gov (United States)

Kloprogge, J Theo

2015-02-05

In two papers Cheng et al. (2010) reported in this journal on the mid-infrared, near-infrared and infrared emission spectroscopy of a halloysite from Hunan Xianrenwan, China. This halloysite contains around 8% of quartz (SiO2) and nearly 9% gibbsite (Al(OH)3). In their interpretation of the spectra these impurities were completely ignored. Careful comparison with a phase pure halloysite from Southern Belgium, synthetic gibbsite, gibbsite from Minas Gerais, and quartz show that these impurities do have a marked influence on the mid-infrared and infrared emission spectra. In the near-infrared, the effect is much less pronounced. Quartz does not show bands in this region and the gibbsite bands will be very weak. Comparison still show that the presence of gibbsite does contribute to the overall spectrum and bands that were ascribed to the halloysite alone do coincide with those of gibbsite. Copyright © 2014 Elsevier B.V. All rights reserved.

The application of chemometrics on Infrared and Raman spectra as a tool for the forensic analysis of paints.

Science.gov (United States)

Muehlethaler, Cyril; Massonnet, Genevieve; Esseiva, Pierre

2011-06-15

The aim of this work is to evaluate the capabilities and limitations of chemometric methods and other mathematical treatments applied on spectroscopic data and more specifically on paint samples. The uniqueness of the spectroscopic data comes from the fact that they are multivariate - a few thousands variables - and highly correlated. Statistical methods are used to study and discriminate samples. A collection of 34 red paint samples was measured by Infrared and Raman spectroscopy. Data pretreatment and variable selection demonstrated that the use of Standard Normal Variate (SNV), together with removal of the noisy variables by a selection of the wavelengths from 650 to 1830 cm(-1) and 2730-3600 cm(-1), provided the optimal results for infrared analysis. Principal component analysis (PCA) and hierarchical clusters analysis (HCA) were then used as exploratory techniques to provide evidence of structure in the data, cluster, or detect outliers. With the FTIR spectra, the Principal Components (PCs) correspond to binder types and the presence/absence of calcium carbonate. 83% of the total variance is explained by the four first PCs. As for the Raman spectra, we observe six different clusters corresponding to the different pigment compositions when plotting the first two PCs, which account for 37% and 20% respectively of the total variance. In conclusion, the use of chemometrics for the forensic analysis of paints provides a valuable tool for objective decision-making, a reduction of the possible classification errors, and a better efficiency, having robust results with time saving data treatments. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

Synthesis and purification of some alkyl phenanthrenes and presentation of their infrared, ultraviolet, nuclear magnetic resonance and mass spectra

International Nuclear Information System (INIS)

Persaud, K.

1965-01-01

We have carried out the synthesis of: - phenanthrene - its five monomethyl derivatives - three dimethyl derivatives - two trimethyl derivatives. We have then purified these products as well as a certain number of others obtained from various sources. We have been able to obtain in the majority of cases, a purity of 99.5 per cent or over, these figures being obtained by low voltage mass spectrometry. Finally we have recorded the infrared, ultraviolet, nuclear magnetic resonance and mass spectra of these products for which an atlas has been drawn up. (author) [fr

Mid-infrared, long wave infrared (4-12 μm) molecular emission signatures from pharmaceuticals using laser-induced breakdown spectroscopy (LIBS).

Science.gov (United States)

Yang, Clayton S-C; Brown, Ei E; Kumi-Barimah, Eric; Hommerich, Uwe H; Jin, Feng; Trivedi, Sudhir B; Samuels, Alan C; Snyder, A Peter

2014-01-01

In an effort to augment the atomic emission spectra of conventional laser-induced breakdown spectroscopy (LIBS) and to provide an increase in selectivity, mid-wave to long-wave infrared (IR), LIBS studies were performed on several organic pharmaceuticals. Laser-induced breakdown spectroscopy signature molecular emissions of target organic compounds are observed for the first time in the IR fingerprint spectral region between 4-12 μm. The IR emission spectra of select organic pharmaceuticals closely correlate with their respective standard Fourier transform infrared spectra. Intact and/or fragment sample molecular species evidently survive the LIBS event. The combination of atomic emission signatures derived from conventional ultraviolet-visible-near-infrared LIBS with fingerprints of intact molecular entities determined from IR LIBS promises to be a powerful tool for chemical detection.

Infrared characterization of environmental samples by pulsed photothermal spectroscopy

International Nuclear Information System (INIS)

Seidel, W.; Foerstendorf, H.; Heise, K.H.; Nicolai, R.; Schamlott, A.; Ortega, J.M.; Glotin, F.; Prazeres, R.

2004-01-01

Low concentration of toxic radioactive metals in environmental samples often limits the interpretation of results of infrared studies investigating the interaction processes between the metal ions and environmental compartments. For the first time, we could show that photothermal infrared spectroscopy performed with a pulsed free electron laser can provide reliable infrared spectra throughout a distinct spectral range of interest. In this model investigation, we provide vibrational absorption spectra of a rare earth metal salt dissolved in a KBr matrix and a natural calcite sample obtained by photothermal beam deflection (PTBD) technique and FT-IR (Fourier-transform infrared) spectroscopy, respectively. General agreement was found between all spectra of the different recording techniques. Spectral deviations were observed with samples containing low concentration of the rare earth metal salt indicating a lower detection limit of the photothermal method as compared to conventional FT-IR spectroscopy. (authors)

Broadband Terahertz Refraction Index Dispersion and Loss of Polymeric Dielectric Substrate and Packaging Materials

Science.gov (United States)

Motaharifar, E.; Pierce, R. G.; Islam, R.; Henderson, R.; Hsu, J. W. P.; Lee, Mark

2018-01-01

In the effort to push the high-frequency performance of electronic circuits and signal interconnects from millimeter waves to beyond 1 THz, a quantitative knowledge of complex refraction index values and dispersion in potential dielectric substrate, encapsulation, waveguide, and packaging materials becomes critical. Here we present very broadband measurements of the real and imaginary index spectra of four polymeric dielectric materials considered for use in high-frequency electronics: benzocyclobutene (BCB), polyethylene naphthalate (PEN), the photoresist SU-8, and polydimethylsiloxane (PDMS). Reflectance and transmittance spectra from 3 to 75 THz were made using a Fourier transform spectrometer on freestanding material samples. These data were quantitatively analyzed, taking into account multiple partial reflections from front and back surfaces and molecular bond resonances, where applicable, to generate real and imaginary parts of the refraction index as a function of frequency. All materials showed signatures of infrared active organic molecular bond resonances between 10 and 50 THz. Low-loss transmission windows as well as anti-window bands of high dispersion and loss can be readily identified and incorporated into high-frequency design models.

Photographic infrared spectra of symbiotic stars

International Nuclear Information System (INIS)

Andrillat, Y.; Houziaux, L.

1982-01-01

The authors have observed six symbiotic stars during the period 1962-1977 with a grating spectrograph attached to the newtonian focus of the 120-cm telescope at Observatoire de Haute Provence. The reciprocal dispersion is 230 A.mm -1 and the region 5800 to 8800 A has been covered using hypersensitized IN plates. The minimum equivalent width for an emission line to be seen is about 0.5 A. The spectra are displayed and the main spectral characteristics are reviewed briefly. (Auth.)

Infrared spectra of peculiar emission-line stars

International Nuclear Information System (INIS)

Andrillat, Yvette; Houziaux, Leo

1975-01-01

230A/mm spectra of HD51585, V1016Cyg, HBV475 and XXOph between 8,000 and 11,000A are described. Important spectral variations have been noted between 1974 and 1975. Satisfactory identifications cannot be proposed for lines at 9,180 and 9,204A [fr

Effects of varying environmental conditions on emissivity spectra of bulk lunar soils: Application to Diviner thermal infrared observations of the Moon

Science.gov (United States)

Donaldson Hanna, K. L.; Greenhagen, B. T.; Patterson, W. R.; Pieters, C. M.; Mustard, J. F.; Bowles, N. E.; Paige, D. A.; Glotch, T. D.; Thompson, C.

2017-02-01

Currently, few thermal infrared measurements exist of fine particulate (samples (e.g. minerals, mineral mixtures, rocks, meteorites, and lunar soils) measured under simulated lunar conditions. Such measurements are fundamental for interpreting thermal infrared (TIR) observations by the Diviner Lunar Radiometer Experiment (Diviner) onboard NASA's Lunar Reconnaissance Orbiter as well as future TIR observations of the Moon and other airless bodies. In this work, we present thermal infrared emissivity measurements of a suite of well-characterized Apollo lunar soils and a fine particulate (sample as we systematically vary parameters that control the near-surface environment in our vacuum chamber (atmospheric pressure, incident solar-like radiation, and sample cup temperature). The atmospheric pressure is varied between ambient (1000 mbar) and vacuum (radiation is varied between 52 and 146 mW/cm2, and the sample cup temperature is varied between 325 and 405 K. Spectral changes are characterized as each parameter is varied, which highlight the sensitivity of thermal infrared emissivity spectra to the atmospheric pressure and the incident solar-like radiation. Finally spectral measurements of Apollo 15 and 16 bulk lunar soils are compared with Diviner thermal infrared observations of the Apollo 15 and 16 sampling sites. This comparison allows us to constrain the temperature and pressure conditions that best simulate the near-surface environment of the Moon for future laboratory measurements and to better interpret lunar surface compositions as observed by Diviner.

The TApIR experiment. IR absorption spectra of liquid hydrogen isotopologues

International Nuclear Information System (INIS)

Groessle, Robin

2015-01-01

The scope of the thesis is the infrared absorption spectroscopy of liquid hydrogen isotopologues with the tritium absorption infrared spectroscopy (TApIR) experiment at the tritium laboratory Karlsruhe (TLK). The calibration process from the sample preparation to the reference measurements are described. A further issue is the classical evaluation of FTIR absorption spectra and the extension using the rolling circle filter (RCF) including the effects on statistical and systematical errors. The impact of thermal and nuclear spin temperature on the IR absorption spectra is discussed. An empirical based modeling for the IR absorption spectra of liquid hydrogen isotopologues is performed.

Comet Mineralogy as Inferred from Infrared Spectra of Comets

Science.gov (United States)

Wooden, Diane H.

2006-01-01

For most comets, infrared (IR) spectroscopy (remote sensing) is the method through which we diagnose the mineralogy and size distribution of dust in their comae. The shape and contrast of the IR spectral features depend on the particle size: optically active minerals (absorbing of visible and near-IR solar photons) and submicron solid grains or highly porous (> 90% vacuum) grains primarily contribute to the shapes of the observed resonances. Comet mineralogies typically are determined by fitting thermal emission models of ensembles of discrete mineral grains to observed IR spectral energy distributions. The absorptivities (Q-abs) and scattering efficiencies (Q-scat) of the discrete mineral grains are computed using Mie scattering, Maxwell-Garnet mixing, Discrete Dipole Approximation, and Multi-Layered Sphere codes. These techniques when applied to crystalline minerals, specifically olivine (Mg_x, Fe_1-x)2 Si04, x>0.9, require the use of ellipsoidal shaped particles with elongated axial ratios or hollow spheres to produce the shapes of the resonances observed both from comet comae and laboratory samples. The wavelength positions of the distinct resonances from submicron-radii crystalline silicates, as well as their thermal equilibrium temperatures, constrain the crystalline olivine to have a relatively high Mg-content (x>0.9, or Fo>90). Only resonances computed for submicron Mg-rich crystalline olivine and crystalline orthopyroxene match the observed IR spectral features. However, this has led to the interpretation that micron-radii and larger crystals are absent from comet comae. Furthermore, the mass fraction of silicate crystals is dependent upon whether just the submicron portion of the size distribution is being compared or the submicron crystals compare to the aggregates of porous amorphous silicates that are computationally tractable as porous spheres. We will discuss the Deep Impact results as examples of these challenges to interpreting mid-IR spectra of

Infrared and Microwave Spectra and Force Field of DBO: The Coriolis Interaction between the nu1 and nu2 + nu3 States.

Science.gov (United States)

Kawashima; Colarusso; Zhang; Bernath; Hirota

1998-11-01

The nu1 and nu3 bands of D11BO and the nu1 band of D10BO were observed by using an infrared diode laser spectrometer. The DBO molecule was generated by an ac discharge in a mixture of BCl3, D2, O2, and He. As inferred previously, a strong Coriolis interaction was in fact found to take place between the nu1 and nu2 + nu3 states, and an analysis of the observed nu1 spectra, which explicitly took into account this Coriolis interaction, predicted the pure rotational transition frequencies of DBO in the nu1 state. Pure rotational lines were then detected by microwave spectroscopy, confirming the validity of the infrared assignment. In the microwave experiment DBO molecules were generated by a discharge in a mixture of B2D6 and O2. The three fundamental bands and a hot band of D11BO, as well as the nu1 and nu3 bands of D10BO, were subsequently recorded in emission with a Fourier transform infrared spectrometer. DBO molecules were generated by the reaction of D2 with HBO at temperatures above 800 degreesC in a ceramic tube furnace. All of the observed spectra were simultaneously subjected to a least-squares analysis to obtain molecular parameters in the ground, nu1, nu2, nu3, and nu2 + nu3 states. The results thus obtained improved the force field and molecular structure of the HBO/DBO molecules reported in a previous study (Y. Kawashima, Y. Endo, and E. Hirota, 1989, J. Mol. Spectrosc. 133, 116-127). Copyright 1998 Academic Press.

Infrared and Microwave Spectra and Force Field of DBO: The Coriolis Interaction between the ν 1and ν 2+ ν 3States

Science.gov (United States)

Kawashima, Yoshiyuki; Colarusso, Pina; Zhang, K. Q.; Bernath, Peter; Hirota, Eizi

1998-11-01

The ν1and ν3bands of D11BO and the ν1band of D10BO were observed by using an infrared diode laser spectrometer. The DBO molecule was generated by an ac discharge in a mixture of BCl3, D2, O2, and He. As inferred previously, a strong Coriolis interaction was in fact found to take place between the ν1and ν2+ ν3states, and an analysis of the observed ν1spectra, which explicitly took into account this Coriolis interaction, predicted the pure rotational transition frequencies of DBO in the ν1state. Pure rotational lines were then detected by microwave spectroscopy, confirming the validity of the infrared assignment. In the microwave experiment DBO molecules were generated by a discharge in a mixture of B2D6and O2. The three fundamental bands and a hot band of D11BO, as well as the ν1and ν3bands of D10BO, were subsequently recorded in emission with a Fourier transform infrared spectrometer. DBO molecules were generated by the reaction of D2with HBO at temperatures above 800°C in a ceramic tube furnace. All of the observed spectra were simultaneously subjected to a least-squares analysis to obtain molecular parameters in the ground, ν1, ν2, ν3, and ν2+ ν3states. The results thus obtained improved the force field and molecular structure of the HBO/DBO molecules reported in a previous study (Y. Kawashima, Y. Endo, and E. Hirota, 1989,J. Mol. Spectrosc.133, 116-127).

Raman spectra of lithium compounds

Science.gov (United States)

Gorelik, V. S.; Bi, Dongxue; Voinov, Y. P.; Vodchits, A. I.; Gorshunov, B. P.; Yurasov, N. I.; Yurasova, I. I.

2017-11-01

The paper is devoted to the results of investigating the spontaneous Raman scattering spectra in the lithium compounds crystals in a wide spectral range by the fibre-optic spectroscopy method. We also present the stimulated Raman scattering spectra in the lithium hydroxide and lithium deuteride crystals obtained with the use of powerful laser source. The symmetry properties of the lithium hydroxide, lithium hydroxide monohydrate and lithium deuteride crystals optical modes were analyzed by means of the irreducible representations of the point symmetry groups. We have established the selection rules in the Raman and infrared absorption spectra of LiOH, LiOH·H2O and LiD crystals.

Oxygen infrared spectra of oxyhemoglobins and oxymyoglobins. Evidence of two major liganded O2 structures

International Nuclear Information System (INIS)

Potter, W.T.; Tucker, M.P.; Houtchens, R.A.; Caughey, W.S.

1987-01-01

The dioxygen stretch bands in infrared spectra for solutions of oxy species of human hemoglobin A and its separated subunits, human mutant hemoglobin Zurich (β63His to Arg), rabbit hemoglobin, lamprey, hemoglobin, sperm whale myoglobin, bovine myoglobin, and a sea worm chlorocruorin are examined. Each protein exhibits multiple isotope-sensitive bands between 1160 and 1060 cm -1 for the liganded 16 O 2 , 17 O 2 , and 18 O 2 . The O-O stretch bands for each of the mammalian myoglobins and hemoglobins are similar, with frequencies that differ between proteins by only 3-5 cm -1 . The spectra for the lamprey and sea worm hemoglobins exhibit greater diversity. For all proteins an O-O stretch band expected to occur near 1125 cm -1 for 16 O 2 and 17 O 2 , but not 18 O 2 , appears split by ∼25 cm -1 due to an unidentified perturbation. The spectrum for each dioxygen isotope, if unperturbed, would contain two strong bands for the mammalian myoglobins (1150 and 1120 cm -1 ) and hemoglobins (1155 and 1125 cm -1 ). Two strong bands separated by ∼30 cm -1 for each oxy heme protein subunit indicate that two major protein conformations (structure) that differ substantially in O 2 bonding are present. The two dioxygen structures can result from a combination of dynamic distal and proximal effects upon the O 2 ligand bound in a bent-end-on stereochemistry

[Infrared spectroscopic analysis of Guilin watermelon frost products].

Science.gov (United States)

Huang, Dong-lan; Chen, Xiao-kang; Xu, Yong-qun; Sun, Su-qin; Zhou, Qun; Lu, Wen-guan

2012-08-01

The objective of the present study is to analyze different products of Guilin watermelon frost by Fourier transform infrared spectroscopy (FTIR), second derivative infrared spectroscopy and two-dimensional correlation spectroscopy (2D-IR) under thermal perturbation. The structural information of the samples indicates that samples from the same factory but of different brands had some dissimilarities in the IR spectra, and the type and content of accessories of them were different compared with conventional IR spectra of samples, peaks at 638 and 616 cm(-1) all arise from anhydrous sodium sulfate in watermelon frost spray and watermelon frost capsule; the characteristic absorption peaks of the sucrose, dextrin or other accessories can be seen clearly in the spectra of watermelon frost throat-clearing buccal tablets, watermelon frost throat tablets and watermelon frost lozenge. And the IR spectra of watermelon frost lozenge is very similar to the IR spectra of sucrose, so it can be easily proved that the content of sucrose in watermelon frost lozenge is high. In the 2D-IR correlation spectra, the samples presented the differences in the position, number and relative intensity of autopeaks and correlation peak clusters. Consequently, the macroscopical fingerprint characters of FTIR, second derivative infrared spectra and 2D-IR spectra can not only provide the information about main chemical constituents in medical materials, but also analyze and identify the type and content of accessories in Guilin watermelon frost. In conclusion, the multi-steps IR macro-fingerprint method is rapid, effective, visual and accurate for pharmaceutical research.

Far-infrared spectroscopic study of CeO2 nanocrystals

International Nuclear Information System (INIS)

Popović, Z. V.; Grujić-Brojčin, M.; Paunović, N.; Radonjić, M. M.; Araújo, V. D.; Bernardi, M. I. B.; Lima, M. M. de; Cantarero, A.

2015-01-01

We present the far-infrared reflectivity spectra of 5 nm-sized pure and copper-doped Ce 1−x Cu x O 2−y (x = 0; 0.01 and 0.10) nanocrystals measured at room temperature in the 50–650 cm −1 spectral range. Reflectivity spectra were analyzed using the factorized form of the dielectric function, which includes the phonon and the free carriers contribution. Four oscillators with TO energies of approximately 135, 280, 370, and 490 cm −1 were included in the fitting procedure. These oscillators represent local maxima of the CeO 2 phonon density of states, which is also calculated using the density functional theory. The lowest energy oscillator represents TA(L)/TA(X) phonon states, which become infrared-active E u modes at the L and X points of the Brillouin zone (BZ). The second oscillator originates from TO(Γ) phonon states. The oscillator at ∼400 cm −1 originates from Raman mode phonon states, which at the L point of BZ also becomes infrared-active E u mode. The last oscillator describes phonons with dominantly LO(Γ) infrared mode character. The appearance of phonon density of states related oscillators, instead of single F 2u infrared-active mode in the far-infrared reflectivity spectra, is a consequence of the nanosized dimension of the CeO 2 particles. The best fit spectra are obtained using the generalized Bruggeman model for inhomogeneous media, which takes into account the nanocrystal volume fraction and the pore shape

Extraction of Curcumin Pigment from Indonesian Local Turmeric with Its Infrared Spectra and Thermal Decomposition Properties

Science.gov (United States)

Nandiyanto, A. B. D.; Wiryani, A. S.; Rusli, A.; Purnamasari, A.; Abdullah, A. G.; Ana; Widiaty, I.; Hurriyati, R.

2017-03-01

Curcumin is one of the pigments which is used as a spice in Asian cuisine, traditional cosmetic, and medicine. Therefore, process for getting curcumin has been widely studied. Here, the purpose of this study was to demonstrate the simple method for extracting curcumin from Indonesian local turmeric and investigate the infrared spectra and thermal decomposition properties. In the experimental procedure, the washed turmeric was dissolved into an ethanol solution, and then put into a rotary evaporator to enrich curcumin concentration. The result showed that the present method is effective to isolate curcumin compound from Indonesian local turmeric. Since the process is very simple, this method can be used for home industrial application. Further, understanding the thermal decomposition properties of curcumin give information, specifically relating to the selection of treatment when curcumin must face the thermal-related process.

Infrared thermometry and the crop water stress index. II. Sampling procedures and interpretation

International Nuclear Information System (INIS)

Gardner, B.R.; Nielsen, D.C.; Shock, C.C.

1992-01-01

Infrared thermometry can be a valuable research and production tool for detecting and quantifying water stress in plants, as shown by a large volume of published research. Users of infrared thermometers (IRT) should be aware of the many equipment, environmental, and plant factors influencing canopy temperature measured by an IRT. The purpose of this paper is to describe factors influencing measured plant temperature, outline sampling procedures that will produce reliable Crop Water Stress Index (CWSI) values, and offer interpretations of CWSI and plant temperatures relative to crop production and other water stress parameters by reviewing previously conducted research. Factors that are considered are IRT condition, configuration, and position; psychrometer location; wind speed; solar radiation; time of day; leaf area and orientation; and appropriate non-water-stressed baseline equation. Standard sampling and CWSI calculation procedures are proposed. Use of CWSI with crops varying in type of response to water stress is described. Previously conducted research on plant temperatures or CWSI is tabulated by crop and water stress parameters measured. The paper provides valuable information to assist interested users of IRTs in making reliable water stress measurements. (author)

Infrared thermometry and the crop water stress index. II. Sampling procedures and interpretation

Energy Technology Data Exchange (ETDEWEB)

Gardner, B. R. [BP Research, Cleveland, OH (United States); Nielsen, D. C.; Shock, C. C.

1992-10-15

Infrared thermometry can be a valuable research and production tool for detecting and quantifying water stress in plants, as shown by a large volume of published research. Users of infrared thermometers (IRT) should be aware of the many equipment, environmental, and plant factors influencing canopy temperature measured by an IRT. The purpose of this paper is to describe factors influencing measured plant temperature, outline sampling procedures that will produce reliable Crop Water Stress Index (CWSI) values, and offer interpretations of CWSI and plant temperatures relative to crop production and other water stress parameters by reviewing previously conducted research. Factors that are considered are IRT condition, configuration, and position; psychrometer location; wind speed; solar radiation; time of day; leaf area and orientation; and appropriate non-water-stressed baseline equation. Standard sampling and CWSI calculation procedures are proposed. Use of CWSI with crops varying in type of response to water stress is described. Previously conducted research on plant temperatures or CWSI is tabulated by crop and water stress parameters measured. The paper provides valuable information to assist interested users of IRTs in making reliable water stress measurements. (author)

Infrared thermometry and the crop water stress index. I. History, theory, and baselines

International Nuclear Information System (INIS)

Gardner, B.R.; Nielsen, D.C.; Shock, C.C.

1992-01-01

Development of portable infrared thermometers and the definition of the Crop Water Stress Index (CWSI) have led to widespread interest in infrared thermometry to monitor water stress and schedule irrigations. But the CWSI concept is still new and poorly understood by many. The purpose of this paper is to review the definition of CWSI, and the determination and interpretation of the non-water-stressed baselines used to compute CWSI. The non-water-stressed baseline equation normalizes the canopy minus air temperature differential for variations in vapor pressure deficit. Non-water-stressed baselines can be determined empirically from measurements of canopy and air temperatures and vapor pressure deficit, made diurnally on a single day, or at a single time of day over many days, on well-watered plants. The value of the maximum canopy minus air temperature differential under maximum water stress should also be determined empirically. Causes for CWSI values falling outside of the defined 0 to 10 unit range are reviewed. Non-water-stressed baselines may shift with plant growth stage. Effective use of CWSI is dependent on understanding the definition of CWSI, and the proper determination and use of non-water-stressed baselines. (author)

Tips for deciphering and quick calculation of radiation spectra

Science.gov (United States)

Bondarenco, M. V.

2018-04-01

Radiation spectra from ultra-relativistic electrons in thin [Tll lf(ω)] and thick [Tgg lf(ω)] targets are discussed. The method of simplified averaging is described by examples of Landau-Pomeranchuk-Migdal effect and radiation at doughnut scattering. General infrared and ultraviolet asymptotic properties of radiation spectra are discussed.

Analysis of Chuanxiong Rhizoma and its active components by Fourier transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy.

Science.gov (United States)

Guo, Yizhen; Lv, Beiran; Wang, Jingjuan; Liu, Yang; Sun, Suqin; Xiao, Yao; Lu, Lina; Xiang, Li; Yang, Yanfang; Qu, Lei; Meng, Qinghong

2016-01-15

As complicated mixture systems, active components of Chuanxiong Rhizoma are very difficult to identify and discriminate. In this paper, the macroscopic IR fingerprint method including Fourier transform infrared spectroscopy (FT-IR), the second derivative infrared spectroscopy (SD-IR) and two-dimensional correlation infrared spectroscopy (2DCOS-IR), was applied to study and identify Chuanxiong raw materials and its different segmented production of HPD-100 macroporous resin. Chuanxiong Rhizoma is rich in sucrose. In the FT-IR spectra, water eluate is more similar to sucrose than the powder and the decoction. Their second derivative spectra amplified the differences and revealed the potentially characteristic IR absorption bands and combined with the correlation coefficient, concluding that 50% ethanol eluate had more ligustilide than other eluates. Finally, it can be found from 2DCOS-IR spectra that proteins were extracted by ethanol from Chuanxiong decoction by HPD-100 macroporous resin. It was demonstrated that the above three-step infrared spectroscopy could be applicable for quick, non-destructive and effective analysis and identification of very complicated and similar mixture systems of traditional Chinese medicines. Copyright © 2015 Elsevier B.V. All rights reserved.

Infrared Spectra of the n-PROPYL and i-PROPYL Radicals in Solid Para-Hydrogen

Science.gov (United States)

Pullen, Gregory T.; Franke, Peter R.; Douberly, Gary E.; Lee, Yuan-Pern

2017-06-01

We report the infrared spectra of the n-propyl and i-propyl radicals measured in solid para-hydrogen (p-H_2) matrices at 3.2 K. n-Propyl and i-propyl radicals were produced via the 248 nm irradiation of matrices formed by co-depositing p-H_2 and either 1-Iodopropane (n-propyl) or 2-Iodopropane (i-propyl). Secondary photolysis was used to group spectral lines all due to the same species. Lines in the C-H stretching region were compared to previous work using the Helium Nanodroplet Isolation (HENDI) technique, and are in excellent agreement. In addition to a few lines previously measured in Ar matrices, we observe many previously unreported bands below 2000 \\wn, which we attribute to the n-propyl and i-propyl radicals. The assignment of features below 2000 \\wn are made via comparisons to anharmonic VPT2+K frequency computations. Peter R. Franke, Daniel P. Tabor, Christopher P. Moradi, Gary E. Douberly, Jay Agarwal, Henry F. Schaefer III, and Edwin L. Sibert III, Journal of Chemical Physics 145, 224304 (2016).

AKARI INFRARED CAMERA SURVEY OF THE LARGE MAGELLANIC CLOUD. II. THE NEAR-INFRARED SPECTROSCOPIC CATALOG

International Nuclear Information System (INIS)

Shimonishi, Takashi; Onaka, Takashi; Kato, Daisuke; Sakon, Itsuki; Ita, Yoshifusa; Kawamura, Akiko; Kaneda, Hidehiro

2013-01-01

We performed a near-infrared spectroscopic survey toward an area of ∼10 deg 2 of the Large Magellanic Cloud (LMC) with the infrared satellite AKARI. Observations were carried out as part of the AKARI Large-area Survey of the Large Magellanic Cloud (LSLMC). The slitless multi-object spectroscopic capability of the AKARI/IRC enabled us to obtain low-resolution (R ∼ 20) spectra in 2-5 μm for a large number of point sources in the LMC. As a result of the survey, we extracted about 2000 infrared spectra of point sources. The data are organized as a near-infrared spectroscopic catalog. The catalog includes various infrared objects such as young stellar objects (YSOs), asymptotic giant branch (AGB) stars, supergiants, and so on. It is shown that 97% of the catalog sources have corresponding photometric data in the wavelength range from 1.2 to 11 μm, and 67% of the sources also have photometric data up to 24 μm. The catalog allows us to investigate near-infrared spectral features of sources by comparison with their infrared spectral energy distributions. In addition, it is estimated that about 10% of the catalog sources are observed at more than two different epochs. This enables us to study a spectroscopic variability of sources by using the present catalog. Initial results of source classifications for the LSLMC samples are presented. We classified 659 LSLMC spectra based on their near-infrared spectral features by visual inspection. As a result, it is shown that the present catalog includes 7 YSOs, 160 C-rich AGBs, 8 C-rich AGB candidates, 85 O-rich AGBs, 122 blue and yellow supergiants, 150 red super giants, and 128 unclassified sources. Distributions of the classified sources on the color-color and color-magnitude diagrams are discussed in the text. Continuous wavelength coverage and high spectroscopic sensitivity in 2-5 μm can only be achieved by space observations. This is an unprecedented large-scale spectroscopic survey toward the LMC in the near-infrared

Far-infrared spectroscopic study of CeO2 nanocrystals

Science.gov (United States)

Popović, Z. V.; Grujić-Brojčin, M.; Paunović, N.; Radonjić, M. M.; Araújo, V. D.; Bernardi, M. I. B.; de Lima, M. M.; Cantarero, A.

2015-01-01

We present the far-infrared reflectivity spectra of 5 nm-sized pure and copper-doped Ce1- x Cu x O2- y ( x = 0; 0.01 and 0.10) nanocrystals measured at room temperature in the 50-650 cm-1 spectral range. Reflectivity spectra were analyzed using the factorized form of the dielectric function, which includes the phonon and the free carriers contribution. Four oscillators with TO energies of approximately 135, 280, 370, and 490 cm-1 were included in the fitting procedure. These oscillators represent local maxima of the CeO2 phonon density of states, which is also calculated using the density functional theory. The lowest energy oscillator represents TA(L)/TA(X) phonon states, which become infrared-active E u modes at the L and X points of the Brillouin zone (BZ). The second oscillator originates from TO(Γ) phonon states. The oscillator at 400 cm-1 originates from Raman mode phonon states, which at the L point of BZ also becomes infrared-active E u mode. The last oscillator describes phonons with dominantly LO(Γ) infrared mode character. The appearance of phonon density of states related oscillators, instead of single F 2uinfrared-active mode in the far-infrared reflectivity spectra, is a consequence of the nanosized dimension of the CeO2 particles. The best fit spectra are obtained using the generalized Bruggeman model for inhomogeneous media, which takes into account the nanocrystal volume fraction and the pore shape.

Infrared spectroscopy of molecular submonolayers on surfaces by infrared scanning tunneling microscopy: tetramantane on Au111.

Science.gov (United States)

Pechenezhskiy, Ivan V; Hong, Xiaoping; Nguyen, Giang D; Dahl, Jeremy E P; Carlson, Robert M K; Wang, Feng; Crommie, Michael F

2013-09-20

We have developed a new scanning-tunneling-microscopy-based spectroscopy technique to characterize infrared (IR) absorption of submonolayers of molecules on conducting crystals. The technique employs a scanning tunneling microscope as a precise detector to measure the expansion of a molecule-decorated crystal that is irradiated by IR light from a tunable laser source. Using this technique, we obtain the IR absorption spectra of [121]tetramantane and [123]tetramantane on Au(111). Significant differences between the IR spectra for these two isomers show the power of this new technique to differentiate chemical structures even when single-molecule-resolved scanning tunneling microscopy (STM) images look quite similar. Furthermore, the new technique was found to yield significantly better spectral resolution than STM-based inelastic electron tunneling spectroscopy, and to allow determination of optical absorption cross sections. Compared to IR spectroscopy of bulk tetramantane powders, infrared scanning tunneling microscopy (IRSTM) spectra reveal narrower and blueshifted vibrational peaks for an ordered tetramantane adlayer. Differences between bulk and surface tetramantane vibrational spectra are explained via molecule-molecule interactions.

Infrared absorption and Raman scattering spectroscopic studies of condensed ions

International Nuclear Information System (INIS)

Dao, N.Q.; Knidiri, M.

1975-01-01

Infrared and Raman spectra of the complex K 5 (UO 2 ) 2 F 9 were recorded in the region 4000 to 80 cm -1 . Factor group analysis was used to classify the internal vibrations of the binuclear ion (UO 2 ) 2 F 9 5- . Infrared and Raman spectra were assigned and splitting of the internal modes of the (UO 2 ) 2 F 9 5- anion interpreted. (author)

RESOLVING THE ACTIVE GALACTIC NUCLEUS AND HOST EMISSION IN THE MID-INFRARED USING A MODEL-INDEPENDENT SPECTRAL DECOMPOSITION

Energy Technology Data Exchange (ETDEWEB)

Hernán-Caballero, Antonio; Alonso-Herrero, Almudena [Instituto de Física de Cantabria, CSIC-UC, Avenida de los Castros s/n, E-39005, Santander (Spain); Hatziminaoglou, Evanthia [European Southern Observatory, Karl-Schwarzschild-Strasse 2, D-85748 Garching bei München (Germany); Spoon, Henrik W. W. [Cornell University, CRSR, Space Sciences Building, Ithaca, NY 14853 (United States); Almeida, Cristina Ramos [Instituto de Astrofísica de Canarias, Vía Láctea s/n, E-38205 La Laguna, Tenerife (Spain); Santos, Tanio Díaz [Núcleo de Astronomía de la Facultad de Ingeniería, Universidad Diego Portales, Av. Ejército Libertador 441, Santiago (Chile); Hönig, Sebastian F. [School of Physics and Astronomy, University of Southampton, Southampton SO18 1BJ (United Kingdom); González-Martín, Omaira [Centro de Radioastronomía y Astrofísica (CRyA-UNAM), 3-72 (Xangari), 8701, Morelia (Mexico); Esquej, Pilar, E-mail: ahernan@ifca.unican.es [Departamento de Astrofísica, Facultad de CC. Físicas, Universidad Complutense de Madrid, E-28040 Madrid (Spain)

2015-04-20

We present results on the spectral decomposition of 118 Spitzer Infrared Spectrograph (IRS) spectra from local active galactic nuclei (AGNs) using a large set of Spitzer/IRS spectra as templates. The templates are themselves IRS spectra from extreme cases where a single physical component (stellar, interstellar, or AGN) completely dominates the integrated mid-infrared emission. We show that a linear combination of one template for each physical component reproduces the observed IRS spectra of AGN hosts with unprecedented fidelity for a template fitting method with no need to model extinction separately. We use full probability distribution functions to estimate expectation values and uncertainties for observables, and find that the decomposition results are robust against degeneracies. Furthermore, we compare the AGN spectra derived from the spectral decomposition with sub-arcsecond resolution nuclear photometry and spectroscopy from ground-based observations. We find that the AGN component derived from the decomposition closely matches the nuclear spectrum with a 1σ dispersion of 0.12 dex in luminosity and typical uncertainties of ∼0.19 in the spectral index and ∼0.1 in the silicate strength. We conclude that the emission from the host galaxy can be reliably removed from the IRS spectra of AGNs. This allows for unbiased studies of the AGN emission in intermediate- and high-redshift galaxies—currently inaccesible to ground-based observations—with archival Spitzer/IRS data and in the future with the Mid-InfraRed Instrument of the James Webb Space Telescope. The decomposition code and templates are available at http://denebola.org/ahc/deblendIRS.

Fourier transform infrared spectroscopy in physics laboratory courses

International Nuclear Information System (INIS)

Möllmann, K-P; Vollmer, M

2013-01-01

Infrared spectrometry is one of the most important tools in the field of spectroscopic analysis. This is due to the high information content of spectra in the so-called spectroscopic fingerprint region, which enables measurement not only of gases, but also of liquids and solids. Today, infrared spectroscopy is almost completely dominated by Fourier transform infrared (FTIR) spectroscopy. FTIR spectroscopy is able to detect minute quantities in the ppm and ppb ranges, and the respective analyses are now standard tools in science as well as industry. Therefore FTIR spectroscopy should be taught within the standard curriculum at university to physicists and engineers. Here we present respective undergraduate laboratory experiments designed for students at the end of their third year. Experiments deal first with understanding the spectrometer and second with recording and analysing spectra. On the one hand, transmission spectra of gases are treated which relate to environmental analytics (being probably the most prominent and well-known examples), and on the other hand, the focus is on the transmission and reflection spectra of solids. In particular, silicon wafers are studied—as is regularly done in the microelectronics industry—in order to characterize their thickness, oxygen content and phonon modes. (paper)

Vibrational spectra of aminoacetonitrile

International Nuclear Information System (INIS)

Bak, B.; Hansen, E.L.; Nicolaisen, F.M.; Nielsen, O.F.

1975-01-01

The preparation of pure, stable aminoacetonitrile(1-amino, 1'-cyanomethane)CH 2 NH 2 CN (1) is described. The Raman spectrum, now complete, and a novel infrared spectrum extending over the 50-3600 cm -1 region are reported. A tentative normal vibration analysis is presented and supported by Raman and infrared data from the spectra of CH 2 NHDCN (2) and CH 2 ND 2 CN (3). The predominance of the trans rotamer may be attributed to intramolecular hydrogen bonding but this is too unimportant to influence the vibrational frequencies of gaseous 1, 2, and 3. However, large gas/liquid frequency shifts occur. (author)

Mapping SOC in a river catchment by integrating laboratory spectra wavelength with remote sensing spectra

DEFF Research Database (Denmark)

Peng, Yi; Xiong, Xiong; Knadel, Maria

There is potential to use soil ·-proximal and remote sensing derived spectra concomitantly to develop soil organic carbon (SOC) models. Yet mixing spectral data from different sources and technologies to improve soil models is still in its infancy. The objective of this study was to incorporate...... soil spectral features indicative of SOC from laboratory visible near-infrared reflectance (vis-NlR) spectra and incorporate them with remote sensing (RS) images to improve predictions of top SOC in the Skjem river catchment, Denmark. The secondary objective was to improve prediction results...

Comparison of various molecular forms of bovine trypsin: Correlation of infrared spectra with X-ray crystal structures

Energy Technology Data Exchange (ETDEWEB)

Prestrelski, S.J. (Mount Sinai School of Medicine of the City Univ. of New York (USA)); Byler, D.M. (U.S. Department of Agriculture, Philadelphia, PA (USA)); Liebman, M.N. (AMOCO Technology Corporation, Naperville, IL (USA))

1991-01-01

Fourier-transform infrared spectroscopy is a valuable method for the study of protein conformation in solution primarily because of the sensitivity to conformation of the amide I band (1700-1620 cm{sup {minus}1}) which arises from the backbone C{double bond}O stretching vibration. Combined with resolution-enhancement techniques such as derivative spectroscopy and self-deconvolution, plus the application of iterative curve-fitting techniques, this method provides a wealth of information concerning protein secondary structure. Further extraction of conformational information from the amide I band is dependent upon discerning the correlations between specific conformation types and component bands in the amide I region. In this paper the authors report spectra-structure correlations derived from conformational perturbations in bovine trypsin which arise from autolytic processing, zymogen activation, and active-site inhibition. IR spectra were collected for the single-chain ({beta}-trypsin) and once-cleaved, double-chain ({alpha}-trypsin) forms as well as at various times during the course of autolysis and also for zymogen, trypsinogen, and {beta}-trypsin inhibited with diisopropyl fluorophosphate. Spectral differences among the various molecular forms were interpreted in light of previous biochemical studies of autolysis and the known three-dimensional structures of the zymogen, the active enzyme, and the DIP-inhibited form. The spectroscopic results from these proteins in D{sub 2}O imply that certain loop structures may absorb in the region of 1655 cm{sup {minus}1}. They estimate that this approach to data analysis and interpretation is sensitive to changes of 0.01 unit or less in the relative integrated intensities of component bands in spectra whose peaks are well resolved.

Signatures of charge inhomogeneities in the infrared spectra of topological insulators Bi2Se3, Bi2Te3 and Sb2Te3

International Nuclear Information System (INIS)

Dordevic, S V; Wolf, M S; Stojilovic, N; Lei Hechang; Petrovic, C

2013-01-01

We present the results of an infrared spectroscopy study of topological insulators Bi 2 Se 3 , Bi 2 Te 3 and Sb 2 Te 3 . Reflectance spectra of all three materials look similar, with a well defined plasma edge. However, there are some important differences. Most notably, as temperature decreases the plasma edge shifts to lower frequencies in Bi 2 Se 3 , whereas in Bi 2 Te 3 and Sb 2 Te 3 it shifts to higher frequencies. In the loss function spectra we identify asymmetric broadening of the plasmon, and assign it to the presence of charge inhomogeneities. It remains to be seen if charge inhomogeneities are characteristic of all topological insulators, and whether they are of intrinsic or extrinsic nature.

Generation of infrared supercontinuum radiation: spatial mode dispersion and higher-order mode propagation in ZBLAN step-index fibers

DEFF Research Database (Denmark)

Ramsay, Jacob Søndergaard; Dupont, Sune Vestergaard Lund; Johansen, Mikkel Willum

2013-01-01

Using femtosecond upconversion we investigate the time and wavelength structure of infrared supercontinuum generation. It is shown that radiation is scattered into higher order spatial modes (HOMs) when generating a supercontinuum using fibers that are not single-moded, such as a step-index ZBLAN...... not include scattering into HOMs, and including this provides an extra degree of freedom for tailoring supercontinuum sources....

Laboratory Thermal Infrared and Visible to Near-Infrared Spectral Analysis of Chert

Science.gov (United States)

McDowell, M. L.; Hamilton, V. E.

2007-12-01

Though basaltic materials dominate the composition of the Martian surface, a material with a relatively high silica component in an area of Eos Chasma was reported by [1] from thermal infrared (TIR) data. The spectrum of the silica phase resembles quartz or chert, but with the existing information it is difficult to tell which phase best fits the observations. Though quartz, chert, and amorphous silica are chemically identical (SiO2), their physical differences (e.g., microstructures) result in different TIR spectral characteristics. Previous studies have analyzed a limited number of chert samples using emission infrared spectroscopy [2] and transmission infrared spectroscopy [3]. We continue these preliminary studies with an investigation aiming to more completely understand and document the variation in spectral character of cherts. This knowledge may help to identify the silica phase in Eos Chasma and any future discoveries. Our study includes a more extensive sampling of geologic chert in hand sample (>15 samples) with various sources, methods of formation, surface textures, and crystallinities. We analyzed their visible to near-infrared (VNIR) reflectance spectra, as well as spectral features in TIR emission spectra. We measured multiple locations on each sample to determine spectral homogeneity across the sample and between various orientations. Where possible, natural, cut, and recently fractured surfaces were measured. We compared the collected TIR spectra for similarities and differences in shape and spectral contrast within each sample and between samples that may relate to variations in the samples' structure (e.g. crystallinity, and surface texture). VNIR measurements show features indicative of non-silica phases and water that may be present in the cherts. [1] Hamilton, V.E. (2005) Eos Trans. AGU, Fall Meeting Suppl., Abstract P24A-08. [2] Michalski, J.R. (2005) PhD Diss., ASU, Tempe. [3] Long, D. G. et al. (2001) Canadian Archaeological Assoc., 33rd

The 12C/ 13C isotopic ratio in Titan hydrocarbons from Cassini/CIRS infrared spectra

Science.gov (United States)

Nixon, C. A.; Achterberg, R. K.; Vinatier, S.; Bézard, B.; Coustenis, A.; Irwin, P. G. J.; Teanby, N. A.; de Kok, R.; Romani, P. N.; Jennings, D. E.; Bjoraker, G. L.; Flasar, F. M.

2008-06-01

We have analyzed infrared spectra of Titan recorded by the Cassini Composite Infrared Spectrometer (CIRS) to measure the isotopic ratio 12C/ 13C in each of three chemical species in Titan's stratosphere: CH 4, C 2H 2 and C 2H 6. This is the first measurement of 12C/ 13C in any C 2 molecule on Titan, and the first measurement of 12CH 4/ 13CH 4 (non-deuterated) on Titan by remote sensing. Our spectra cover five widely-spaced latitudes, 65° S to 71° N and we have searched for both latitude variability of 12C/ 13C within a given species, and also for differences between the 12C/ 13C in the three gases. For CH 4 alone, we find C12/C13=76.6±2.7 (1- σ), essentially in agreement with the 12CH 4/ 13CH 4 measured by the Huygens Gas Chromatograph/Mass Spectrometer instrument (GCMS) [Niemann, H.B., and 17 colleagues, 2005. Nature 438, 779-784]: 82.3±1.0, and also with measured values in H 13CN and 13CH 3D by CIRS at lower precision [Bézard, B., Nixon, C., Kleiner, I., Jennings, D., 2007. Icarus 191, 397-400; Vinatier, S., Bézard, B., Nixon, C., 2007. Icarus 191, 712-721]. For the C 2 species, we find C12/C13=84.8±3.2 in C 2H 2 and 89.8±7.3 in C 2H 6, a possible trend of increasingly value with molecular mass, although these values are both compatible with the Huygens GCMS value to within error bars. There are no convincing trends in latitude. Combining all fifteen measurements, we obtain a value of C12/C13=80.8±2.0, also compatible with GCMS. Therefore, the evidence is mounting that 12C/ 13C is some 8% lower on Titan than on the Earth (88.9, inorganic standard), and lower than typical for the outer planets ( 88±7 [Sada, P.V., McCabe, G.H., Bjoraker, G.L., Jennings, D.E., Reuter, D.C., 1996. Astrophys. J. 472, 903-907]). There is no current model for this enrichment, and we discuss several mechanisms that may be at work.

The application of near-infrared spectra micro-image in the imaging analysis of biology samples

Directory of Open Access Journals (Sweden)

Dong Wang

2014-07-01

Full Text Available In this research, suitable imaging methods were used for acquiring single compound images of biology samples of chicken pectorales tissue section, tobacco dry leaf, fresh leaf and plant glandular hair, respectively. The adverse effects caused by the high water content and the thermal effect of near infrared (NIR light were effectively solved during the experiment procedures and the data processing. PCA algorithm was applied to the NIR micro-image of chicken pectorales tissue. Comparing the loading vector of PC3 with the NIR spectrum of dry albumen, the information of PC3 was confirmed to be provided mainly by protein, i.e., the 3rd score image represents the distribution trend of protein mainly. PCA algorithm was applied to the NIR micro-image of tobacco dry leaf. The information of PC2 was confirmed to be provided by carbohydrate including starch mainly. Compared to the 2nd score image of tobacco dry leaf, the compared correlation image with the reference spectrum of starch had the same distribution trend as the 2nd score image. The comparative correlation images with the reference spectra of protein, glucose, fructose and the total plant alkaloid were acquired to confirm the distribution trend of these compounds in tobacco dry leaf respectively. Comparative correlation images of fresh leaf with the reference spectra of protein, starch, fructose, glucose and water were acquired to confirm the distribution trend of these compounds in fresh leaf. Chemimap imaging of plant glandular hair was acquired to show the tubular structure clearly.

The Crab pulsar and its pulsar-wind nebula in the optical and infrared

Science.gov (United States)

Tziamtzis, A.; Lundqvist, P.; Djupvik, A. A.

2009-12-01

Aims. We investigate the emission mechanism and evolution of pulsars that are associated with supernova remnants. Methods: We used imaging techniques in both the optical and near infrared, using images with very good seeing (≤0.primeprime6) to study the immediate surroundings of the Crab pulsar. In the case of the infrared, we took two data sets with a time window of 75 days to check for variability in the inner part of the Crab nebula. We also measure the spectral indices of all these wisps, the nearby knot, and the interwisp medium, using our optical and infrared data. We then compared the observational results with the existing theoretical models. Results: We report variability in the three nearby wisps located to the northwest of the pulsar and also in a nearby anvil wisp in terms of their structure, position, and emissivity within the time window of 75 days. All the wisps display red spectra with similar spectral indices (α_ν = -0.58 ± 0.08, α_ν = -0.63 ± 0.07, α_ν = -0.53 ± 0.08) for the northwest triplet. The anvil wisp (anvil wisp 1) has a spectral index of α_ν = -0.62 ± 0.10. Similarly, the interwisp medium regions also show red spectra similar to those of the wisps, with the spectral index being α_ν = -0.61 ± 0.08, α_ν = -0.50 ± 0.10, while the third interwisp region has a flatter spectrum with spectral α_ν = -0.49 ± 0.10. The inner knot has a spectral index of α_ν = -0.63 ± 0.02. Also, based on archival HST data and our IR data, we find that the inner knot remains stationary for a time period of 13.5 years. The projected average velocity relative to the pulsar for this period is ≲8 ~km s-1. Conclusions: By comparing the spectral indices of the structures in the inner Crab with the current theoretical models, we find that the Del Zanna et al. model for the synchrotron emission fits our observations, although the spectral index is at the flatter end of their modelled spectra. Based on observations made with the Nordic Optical

Fringes in FTIR spectroscopy revisited: understanding and modelling fringes in infrared spectroscopy of thin films.

Science.gov (United States)

Konevskikh, Tatiana; Ponossov, Arkadi; Blümel, Reinhold; Lukacs, Rozalia; Kohler, Achim

2015-06-21

The appearance of fringes in the infrared spectroscopy of thin films seriously hinders the interpretation of chemical bands because fringes change the relative peak heights of chemical spectral bands. Thus, for the correct interpretation of chemical absorption bands, physical properties need to be separated from chemical characteristics. In the paper at hand we revisit the theory of the scattering of infrared radiation at thin absorbing films. Although, in general, scattering and absorption are connected by a complex refractive index, we show that for the scattering of infrared radiation at thin biological films, fringes and chemical absorbance can in good approximation be treated as additive. We further introduce a model-based pre-processing technique for separating fringes from chemical absorbance by extended multiplicative signal correction (EMSC). The technique is validated by simulated and experimental FTIR spectra. It is further shown that EMSC, as opposed to other suggested filtering methods for the removal of fringes, does not remove information related to chemical absorption.

Detection of organic compound signatures in infra-red, limb emission spectra observed by the MIPAS-B2 balloon instrument

Directory of Open Access Journals (Sweden)

J. J. Remedios

2007-01-01

Full Text Available Organic compounds play a central role in troposphere chemistry and increasingly are a viable target for remote sensing observations. In this paper, infra-red spectral features of three organic compounds are investigated in thermal emission spectra recorded on a flight on 8 May 1998 near Aire sur l'Adour by a balloon-borne instrument, MIPAS-B2, operating at high spectral resolution. It is demonstrated, for the first time, that PAN and acetone can be detected in infra-red remote sensing spectra of the upper troposphere; detection results are presented at tangent altitudes of 10.4 km and 7.5 km (not acetone. In addition, the results provide the first observation of spectral features of formic acid in thermal emission, as opposed to solar occultation, and confirm that concentrations of this gas are measurable in the mid-latitude upper troposphere, given accurate spectroscopic data. For PAN, two bands are observed centred at 794 cm−1 and 1163 cm−1. For acetone and formic acid, one band has been detected for each so far with band centres at 1218 cm−1 and 1105 cm−1 respectively. Mixing ratios inferred at 10.4 km tangent altitude are 180 pptv and 530 pptv for PAN and acetone respectively, and 200 pptv for formic acid with HITRAN 2000 spectroscopy. Accuracies are on the order of 15 to 40%. The detection technique applied here is verified by examining weak but known signatures of CFC-12 and HCFC-22 in the same spectral regions as those of the organic compounds, with results confirming the quality of both the instrument and the radiative transfer model. The results suggest the possibility of global sensing of the organic compounds studied here which would be a major step forward in verifying and interpreting global tropospheric model calculations.

Use of infrared spectroscopy to study the γ-irradiated dextran structure

International Nuclear Information System (INIS)

Komar, V.P.; Bondarenko, N.T.; Zhbankov, R.G.; Markevich, S.V.

1977-01-01

Infrared spectra of the fractions of γ-irradiated dextran aqueous solutions have been investigated in the range 3800 -1 -400 cm -1 . Infrared spectra of the irradiated non-fractionated dextran do not differ from those of non-irradiated dextran whereas the spectra of the fractions beginning with the molecular weight 50x1O 3 dalton and lower differ considerably. With decreasing molecular weight of the fractions, more significant changes in the spectra are observed. A polymer obtained as a result of γ-irradiation of dextran differs in structure from the initial product. It is assumed that similar transformations can take place upon irradiation of other polysaccharides

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 ...

The effects of internal refractive index variation in near-infrared optical tomography: a finite element modelling approach

International Nuclear Information System (INIS)

Dehghani, Hamid; Brooksby, Ben; Vishwanath, Karthik; Pogue, Brian W; Paulsen, Keith D

2003-01-01

Near-infrared (NIR) tomography is a technique used to measure light propagation through tissue and generate images of internal optical property distributions from boundary measurements. Most popular applications have concentrated on female breast imaging, neonatal and adult head imaging, as well as muscle and small animal studies. In most instances a highly scattering medium with a homogeneous refractive index is assumed throughout the imaging domain. Using these assumptions, it is possible to simplify the model to the diffusion approximation. However, biological tissue contains regions of varying optical absorption and scatter, as well as varying refractive index. In this work, we introduce an internal boundary constraint in the finite element method approach to modelling light propagation through tissue that accounts for regions of different refractive indices. We have compared the results to data from a Monte Carlo simulation and show that for a simple two-layered slab model of varying refractive index, the phase of the measured reflectance data is significantly altered by the variation in internal refractive index, whereas the amplitude data are affected only slightly

Analysis of a thioether lubricant by infrared Fourier microemission spectrophotometry

Science.gov (United States)

Jones, W. R., Jr.; Morales, W.; Lauer, J. L.

1986-01-01

An infrared Fourier microemission spectrophotometer is used to obtain spectra (wavenumber range, 630 to 1230 0.1 cm) from microgram quantities of thioether lubricant samples deposited on aluminum foil. Infrared bands in the spectra are reproducible and could be identified as originating from aromatic species (1,3-disubstituted benzenes). Spectra from all samples (neat and formulated, used and unused) are very similar. Additives (an acid and a phosphinate) present in low concentration (0.10 percent) in the formulated fluid are not detected. This instrument appears to be a viable tool in helping to identify lubricant components separated by liquid chromatography.

THE SPITZER MID-INFRARED ACTIVE GALACTIC NUCLEUS SURVEY. I. OPTICAL AND NEAR-INFRARED SPECTROSCOPY OF OBSCURED CANDIDATES AND NORMAL ACTIVE GALACTIC NUCLEI SELECTED IN THE MID-INFRARED

Energy Technology Data Exchange (ETDEWEB)

Lacy, M. [National Radio Astronomy Observatory, 520 Edgemont Road, Charlottesville, VA 22903 (United States); Ridgway, S. E. [National Optical Astronomy Observatory, 950 North Cherry Avenue, Tucson, AZ 85719 (United States); Gates, E. L. [UCO/Lick Observatory, P.O. Box 85, Mount Hamilton, CA 95140 (United States); Nielsen, D. M. [Department of Astronomy, University of Wisconsin, 475 N. Charter Street, Madison, WI 53706 (United States); Petric, A. O. [Department of Astronomy, California Institute of Technology, Pasadena, CA 91125 (United States); Sajina, A. [Department of Physics and Astronomy, Tuffs University, 212 College Avenue, Medford, MA 02155 (United States); Urrutia, T. [Leibniz-Institut für Astrophysik Potsdam, An der Sternwarte 16, D-14482 Potsdam (Germany); Cox Drews, S. [946 Mangrove Avenue 102, Sunnyvale, CA 94086 (United States); Harrison, C. [Department of Astronomy, University of Michigan, Ann Arbor, MI 48109 (United States); Seymour, N. [CSIRO, P.O. Box 76, Epping, NSW 1710 (Australia); Storrie-Lombardi, L. J. [Spitzer Science Center, California Institute of Technology, Pasadena, CA 91125 (United States)

2013-10-01

We present the results of a program of optical and near-infrared spectroscopic follow-up of candidate active galactic nuclei (AGNs) selected in the mid-infrared. This survey selects both normal and obscured AGNs closely matched in luminosity across a wide range, from Seyfert galaxies with bolometric luminosities L {sub bol} ∼ 10{sup 10} L {sub ☉} to highly luminous quasars (L {sub bol} ∼ 10{sup 14} L {sub ☉}), all with redshifts ranging from 0 to 4.3. Samples of candidate AGNs were selected with mid-infrared color cuts at several different 24 μm flux density limits to ensure a range of luminosities at a given redshift. The survey consists of 786 candidate AGNs and quasars, of which 672 have spectroscopic redshifts and classifications. Of these, 137 (20%) are type 1 AGNs with blue continua, 294 (44%) are type 2 objects with extinctions A{sub V} ∼> 5 toward their AGNs, 96 (14%) are AGNs with lower extinctions (A{sub V} ∼ 1), and 145 (22%) have redshifts, but no clear signs of AGN activity in their spectra. Of the survey objects 50% have L {sub bol} > 10{sup 12} L {sub ☉}, in the quasar regime. We present composite spectra for type 2 quasars and objects with no signs of AGN activity in their spectra. We also discuss the mid-infrared—emission-line luminosity correlation and present the results of cross correlations with serendipitous X-ray and radio sources. The results show that: (1) obscured objects dominate the overall AGN population, (2) mid-infrared selected AGN candidates exist which lack AGN signatures in their optical spectra but have AGN-like X-ray or radio counterparts, and (3) X-ray and optical classifications of obscured and unobscured AGNs often differ.

Raman Spectra from Pesticides on the Surface of Fruits

International Nuclear Information System (INIS)

Zhang, P X; Zhou Xiaofang; Cheng, Andrew Y S; Fang Yan

2006-01-01

Raman spectra of several vegetables and fruits were studied by micro-Raman spectrometer (514.5 nm) and Near-infrared Fourier Transform Raman spectrometer (FTRaman). It is shown that at 514.5 nm excitation, most of the spectra are from that of carotene with some very strong fluorescence in some cases. While at 1064 nm wavelength excitation, the spectra from the different samples demonstrate different characteristic Raman spectra without fluorescence. We discuss the spectroscopic difference by the two excitation wavelengths, and the application of Raman spectra for detection of pesticides left on the surface of vegetables and fruits. Raman spectra of fruits and pesticides were successfully recorded, and using the FT-Raman spectra the pesticides left on the surface of the fruits can be detected conveniently

The effect of grain size and phosphorous-doping of polycrystalline 3C–SiC on infrared reflectance spectra

International Nuclear Information System (INIS)

Rooyen, I.J. van; Engelbrecht, J.A.A.; Henry, A.; Janzén, E.; Neethling, J.H.; Rooyen, P.M. van

2012-01-01

Highlights: ► IR is investigated as a technique to measure grain size and P-doping of polycrystalline SiC. ► Infrared plasma minima can be used to determine doping levels in 3C–SiC for doping levels greater than 5 × 10 17 cm −3 . ► A linear relationship is found between FWHM and the inverse of grain size of 3C–SiC irrespective of P-doping level. ► It is further found that ω p is not influenced by the grain size. ► P-doping level has no significant effect on the linear relationship between grain size and surface roughness. - Abstract: The effect of P-doping and grain size of polycrystalline 3C–SiC on the infrared reflectance spectra is reported. The relationship between grain size and full width at half maximum (FWHM) suggest that the behavior of the 3C–SiC with the highest phosphorous doping level (of 1.2 × 10 19 at. cm −3 ) is different from those with lower doping levels ( 18 at. cm −3 ). It is also further demonstrated that the plasma resonance frequency (ω p ) is not influenced by the grain size.

A self-made, low-cost infrared system for evaluating the sciatic functional index in mice

Directory of Open Access Journals (Sweden)

Lukas Fricker

2016-01-01

Full Text Available The sciatic functional index (SFI is a popular parameter for peripheral nerve evaluation that relies on footprints obtained with ink and paper. Drawbacks include smearing artefacts and a lack of dynamic information during measurement. Modern applications use digitized systems that can deliver results with less analytical effort and fewer mice. However, the systems are expensive (€40,000. This study aimed to evaluate the applicability and precision of a self-made, low-cost infrared system for evaluating SFI in mice. Mice were subjected to unilateral sciatic nerve crush injury (crush group; n = 7 and sham operation (sham group; n = 4. They were evaluated on the day before surgery, the 2 nd , 4 th and 6 th days after injury, and then every day up to the 23 rd day after injury. We compared two SFI evaluation methods, i.e., conventional ink-and-paper SFI (C-SFI and our infrared system (I-SFI. Our apparatus visualized footprints with totally internally reflected infrared light (950 nm and a camera that can only detect this wavelength. Additionally we performed an analysis with the ladder beam walking test (LBWT as a reference test. I-SFI assessment reduced the standard deviation by about 33 percent, from 11.6 to 7.8, and cut the variance around the baseline to 21 percent. The system thus requires fewer measurement repetitions and fewer animals, and cuts the cost of keeping the animals. The apparatus cost €321 to build. Our results show that the process of obtaining the SFI can be made more precise via digitization with a self-made, low-cost infrared system.

A self-made, low-cost infrared system for evaluating the sciatic functional index in mice.

Science.gov (United States)

Fricker, Lukas; Penna, Vincenzo; Lampert, Florian; Stark, G Bjoern; Witzel, Christian; Koulaxouzidis, Georgios

2016-05-01

The sciatic functional index (SFI) is a popular parameter for peripheral nerve evaluation that relies on footprints obtained with ink and paper. Drawbacks include smearing artefacts and a lack of dynamic information during measurement. Modern applications use digitized systems that can deliver results with less analytical effort and fewer mice. However, the systems are expensive (€40,000). This study aimed to evaluate the applicability and precision of a self-made, low-cost infrared system for evaluating SFI in mice. Mice were subjected to unilateral sciatic nerve crush injury (crush group; n = 7) and sham operation (sham group; n = 4). They were evaluated on the day before surgery, the 2(nd), 4(th) and 6(th) days after injury, and then every day up to the 23(rd) day after injury. We compared two SFI evaluation methods, i.e., conventional ink-and-paper SFI (C-SFI) and our infrared system (I-SFI). Our apparatus visualized footprints with totally internally reflected infrared light (950 nm) and a camera that can only detect this wavelength. Additionally we performed an analysis with the ladder beam walking test (LBWT) as a reference test. I-SFI assessment reduced the standard deviation by about 33 percent, from 11.6 to 7.8, and cut the variance around the baseline to 21 percent. The system thus requires fewer measurement repetitions and fewer animals, and cuts the cost of keeping the animals. The apparatus cost €321 to build. Our results show that the process of obtaining the SFI can be made more precise via digitization with a self-made, low-cost infrared system.

Ultraviolet spectra of planetary nebulae

International Nuclear Information System (INIS)

Adams, S.; Seaton, M.J.

1982-01-01

Features observed in infrared spectra suggest that certain very low excitation (VLE) nebulae have low C/O abundance ratios (Cohen and Barlow 1980; Aitken and Roche 1982). Fluxes in the multiplets [O II] lambda 2470 and C II] lambda 2326 have been measured for the VLE nebula He He 2-131 = HD 138403 using IUE high-dispersion spectra. An analysis similar to that of Harrington et al. (1980) for IC 418 gives C/O = 0.3 for He 2-131, compared with C/O = 1.3 for IC 418 and 0.6 for the Sun. (author)

Raman spectra studies of dipeptides

International Nuclear Information System (INIS)

Blanchard, Simone.

1977-10-01

This work deals with the homogenous and heterogeneous dipeptides derived from alanine and glycine, in the solid state or in aqueous solutions, in the zwitterions or chlorhydrates form. The Raman spectra comparative study of these various forms of hydrogenated or deuterated compounds allows to specify some of the attributions which are necessary in the conformational study of the like tripeptides. These compounds contain only one peptidic group; therefore there is no possibility of intramolecular hydrogen bond which caracterise vibrations of non bonded peptidic groups and end groups. Infrared spectra of solid dipeptides will be presented and discussed in the near future [fr

A high-resolution atlas of the infrared spectrum of the Sun and the Earth atmosphere from space: A compilation of ATMOS spectra of the region from 650 to 4800 cm (2.3 to 16 micron). Volume 1: The Sun

Science.gov (United States)

Farmer, Crofton B.; Norton, Robert H.

1989-01-01

During the period April 29 through May 2, 1985, the Atmospheric Trace Molecular Spectroscopy experiment was operated as part of the Spacelab-3 payload of the shuttle Challenger. The instrument, a modified Michelson Interferometer covering the frequency range from 600 to 5000/cm, at a spectral resolution of 0.01/cm, recorded infrared spectra of the Sun and of the Earth's atmosphere at times close to entry into and exit from occultation by the Earth's limb as seen from the shuttle orbit of 360 km. Spectra were obtained that are free from absorptions due to constituents of the atmosphere (i.e., solar pure spectra), as well as spectra of the atmosphere itself, covering line-of-sight tangent altitudes that span the range from the lower thermosphere to the bottom of the troposphere. This atlas, believed to be the first record of observations of the continuous high resolution infrared spectrum of the Sun and the Earth's atmosphere from space, provides a compilation of these spectra arranged in a hardcopy format suitable for quick-look reference purposes; the data are also available in digital form.

High resolution spectroscopy in the microwave and far infrared

Science.gov (United States)

Pickett, Herbert M.

1990-01-01

High resolution rotational spectroscopy has long been central to remote sensing techniques in atmospheric sciences and astronomy. As such, laboratory measurements must supply the required data to make direct interpretation of data for instruments which sense atmospheres using rotational spectra. Spectral measurements in the microwave and far infrared regions are also very powerful tools when combined with infrared measurements for characterizing the rotational structure of vibrational spectra. In the past decade new techniques were developed which have pushed high resolution spectroscopy into the wavelength region between 25 micrometers and 2 mm. Techniques to be described include: (1) harmonic generation of microwave sources, (2) infrared laser difference frequency generation, (3) laser sideband generation, and (4) ultrahigh resolution interferometers.

Terrestrial analogs for interpretation of infrared spectra from the Martian surface and subsurface: Sulfate, nitrate, carbonate, and phyllosilicate-bearing Atacama Desert soils

Science.gov (United States)

Sutter, B.; Dalton, J. B.; Ewing, S. A.; Amundson, R.; McKay, C. P.

2007-10-01

Hyperarid (Mars soils have similar sulfate concentrations; possess phyllosilicates (e.g., smectite) and minor carbonate. Nitrate has not been detected on Mars, but its presence has been proposed. The similar compositions of Atacama and Mars soils have prompted the visible-infrared (0.35-25 μm) investigation of Atacama soils as Mars analogs. Results from this work determined the best infrared features for detecting sulfate, nitrate, carbonate, and phyllosilicate on Mars. The fundamental region (>6.5 μm) was not suited for salt and phyllosilicate detection because of overlapping spectra from primary silicates (e.g., feldspar), water and carbon dioxide. The visible near-infrared (0.35-2.5 μm) region was suited for detecting carbonate, nitrate, gypsum water of hydration, and phyllosilicate hydroxyls without interference from primary silicates. However, gypsum water of hydration features can obscure phyllosilicate hydroxyl, carbonate and nitrate, features if gypsum levels are high. Overtone/combination absorption features in the midinfrared were determined to be the best indicators of sulfate (4.48-4.70 μm), nitrate (4.12 μm), and carbonate (3.98 μm) because interferences from overlapping primary silicate and water features are not present in this region. Interferences from CO2 and thermal emission effects in the overtone/combination region are possible but may be minimized by corrective techniques. Infrared analysis of Atacama Desert soils can provide insight into the spectral search of sulfate, nitrate, carbonate, and phyllosilicate containing soils on Mars.

Far-infrared spectroscopic study of CeO{sub 2} nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Popović, Z. V., E-mail: zoran.popovic@ipb.ac.rs; Grujić-Brojčin, M.; Paunović, N. [University of Belgrade, Center for Solid State Physics and New Materials, Institute of Physics (Serbia); Radonjić, M. M. [University of Belgrade, Scientific Computing Laboratory, Institute of Physics Belgrade (Serbia); Araújo, V. D.; Bernardi, M. I. B. [Universidade de São Paulo-USP, Instituto de Fisica (Brazil); Lima, M. M. de; Cantarero, A. [Universidad de Valencia, Instituto de Ciencia de Los Materiales (Spain)

2015-01-15

We present the far-infrared reflectivity spectra of 5 nm-sized pure and copper-doped Ce{sub 1−x}Cu{sub x}O{sub 2−y} (x = 0; 0.01 and 0.10) nanocrystals measured at room temperature in the 50–650 cm{sup −1} spectral range. Reflectivity spectra were analyzed using the factorized form of the dielectric function, which includes the phonon and the free carriers contribution. Four oscillators with TO energies of approximately 135, 280, 370, and 490 cm{sup −1} were included in the fitting procedure. These oscillators represent local maxima of the CeO{sub 2} phonon density of states, which is also calculated using the density functional theory. The lowest energy oscillator represents TA(L)/TA(X) phonon states, which become infrared-active E{sub u} modes at the L and X points of the Brillouin zone (BZ). The second oscillator originates from TO(Γ) phonon states. The oscillator at ∼400 cm{sup −1} originates from Raman mode phonon states, which at the L point of BZ also becomes infrared-active E{sub u} mode. The last oscillator describes phonons with dominantly LO(Γ) infrared mode character. The appearance of phonon density of states related oscillators, instead of single F{sub 2u}infrared-active mode in the far-infrared reflectivity spectra, is a consequence of the nanosized dimension of the CeO{sub 2} particles. The best fit spectra are obtained using the generalized Bruggeman model for inhomogeneous media, which takes into account the nanocrystal volume fraction and the pore shape.

Thermoluminescence spectra of amethyst

Energy Technology Data Exchange (ETDEWEB)

Zhang, Q. [Suzhou Railway Teachers College (China). Dept. of Physics; Yang, B. [Beijing Normal University (China). Dept. of Physics; Wood, R.A.; White, D.R.R.; Townsend, P.D.; Luff, B.J. [Sussex Univ., Brighton (United Kingdom). School of Mathematical and Physical Sciences

1994-04-01

Thermoluminescence and cathodoluminescence data from natural and synthetic amethyst and synthetic quartz samples are compared. The spectra include features from the quartz host lattice and from impurity-generated recombination sites. Emission features exist throughout the wavelength range studied, 250-800 nm. The near infrared emission at 740-750 nm appears to be characteristic of the amethyst and is proposed to be due to Fe ion impurity. (Author).

Infrared and infrared emission spectroscopic study of typical Chinese kaolinite and halloysite.

Science.gov (United States)

Cheng, Hongfei; Frost, Ray L; Yang, Jing; Liu, Qinfu; He, Junkai

2010-12-01

The structure and thermal stability between typical Chinese kaolinite and halloysite were analysed by X-ray diffraction (XRD), infrared spectroscopy, infrared emission spectroscopy (IES) and Raman spectroscopy. Infrared emission spectroscopy over the temperature range of 300-700°C has been used to characterise the thermal decomposition of both kaolinite and halloysite. Halloysite is characterised by two bands in the water bending region at 1629 and 1648 cm(-1), attributed to structural water and coordinated water in the interlayer. Well defined hydroxyl stretching bands at around 3695, 3679, 3652 and 3625 cm(-1) are observed for both kaolinite and halloysite. The 550°C infrared emission spectrum of halloysite is similar to that of kaolinite in 650-1350 cm(-1) spectral region. The infrared emission spectra of halloysite were found to be considerably different to that of kaolinite at lower temperatures. These differences are attributed to the fundamental difference in the structure of the two minerals. Copyright © 2010 Elsevier B.V. All rights reserved.

Investigation of Effect of KBr Matrix on Drift Infrared Spectra of Some ...

African Journals Online (AJOL)

MBI

2014-09-28

Sep 28, 2014 ... mid – infrared range (wave-numbers between. 4000cm-1 to 400cm-1) ... The exact frequency at which any bond resonate is ... frequency through infrared spectroscopy, it will ... by crystal disorder and crystal symmetry causing.

Conceptual thermal design and analysis of a far-infrared/mid-infrared remote sensing instrument

Science.gov (United States)

Roettker, William A.

1992-07-01

This paper presents the conceptual thermal design and analysis results for the Spectroscopy of the Atmosphere using Far-Infrared Emission (SAFIRE) instrument. SAFIRE has been proposed for Mission to Planet Earth to study ozone chemistry in the middle atmosphere using remote sensing of the atmosphere in the far-infrared (21-87 microns) and mid-infrared (9-16 microns) spectra. SAFIRE requires that far-IR detectors be cooled to 3-4 K and mid-IR detectors to 80 K for the expected mission lifetime of five years. A superfluid helium dewar and Stirling-cycle cryocoolers provide the cryogenic temperatures required by the infrared detectors. The proposed instrument thermal design uses passive thermal control techniques to reject 465 watts of waste heat from the instrument.

INFRARED AND RAMAN SPECTROSCOPIC STUDY OF ION ...

African Journals Online (AJOL)

Infrared and Raman spectroscopy techniques have been used to study the ionic interactions of strontium(II) and barium(II) with thiocyanate ion in liquid ammonia. A number of bands were observed in both n (CN) and n (CS) regions of infrared and Raman spectra and these were assigned to 1:1 contact ion pair, ...

Modelling telluric line spectra in the optical and infrared with an application to VLT/X-Shooter spectra

Science.gov (United States)

Rudolf, N.; Günther, H. M.; Schneider, P. C.; Schmitt, J. H. M. M.

2016-01-01

Context. Earth's atmosphere imprints a large number of telluric absorption and emission lines on astronomical spectra, especially in the near infrared, that need to be removed before analysing the affected wavelength regions. Aims: These lines are typically removed by comparison to A- or B-type stars used as telluric standards that themselves have strong hydrogen lines, which complicates the removal of telluric lines. We have developed a method to circumvent that problem. Methods: For our IDL software package tellrem we used a recent approach to model telluric absorption features with the line-by-line radiative transfer model (LBLRTM). The broad wavelength coverage of the X-Shooter at VLT allows us to expand their technique by determining the abundances of the most important telluric molecules H2O, O2, CO2, and CH4 from sufficiently isolated line groups. For individual observations we construct a telluric absorption model for most of the spectral range that is used to remove the telluric absorption from the object spectrum. Results: We remove telluric absorption from both continuum regions and emission lines without systematic residuals for most of the processable spectral range; however, our method increases the statistical errors. The errors of the corrected spectrum typically increase by 10% for S/N ~ 10 and by a factor of two for high-quality data (S/N ~ 100), I.e. the method is accurate on the percent level. Conclusions: Modelling telluric absorption can be an alternative to the observation of standard stars for removing telluric contamination. Based on observations collected at the European Southern Observatory, Paranal, Chile, 085.C-0764(A) and 60.A-9022(C).The tellrem package is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/585/A113

Infrared and optical observations of Nova Mus 1983

International Nuclear Information System (INIS)

Whitelock, P.A.; Carter, B.S.; Feast, M.W.; Glass, I.S.; Laney, D.; Menzies, J.W.

1984-01-01

Extensive optical (UBVRI) and infrared (JHKL) photometry of Nova Mus 1983 obtained over a period of 300 days is tabulated. Infrared and optical spectra are described. Although by classical definition this was a fast nova its later development was slower than for typical objects of this class. Surprisingly the development of infrared thermal dust emission did not occur. Throughout the period covered, the infrared emission was characteristic of a bound-free plus free-free plasma continuum with emission lines. (author)

Spatial Frequency Multiplexing of Fiber-Optic Interferometric Refractive Index Sensors Based on Graded-Index Multimode Fibers

Science.gov (United States)

Liu, Li; Gong, Yuan; Wu, Yu; Zhao, Tian; Wu, Hui-Juan; Rao, Yun-Jiang

2012-01-01

Fiber-optic interferometric sensors based on graded-index multimode fibers have very high refractive-index sensitivity, as we previously demonstrated. In this paper, spatial-frequency multiplexing of this type of fiber-optic refractive index sensors is investigated. It is estimated that multiplexing of more than 10 such sensors is possible. In the multiplexing scheme, one of the sensors is used to investigate the refractive index and temperature responses. The fast Fourier transform (FFT) of the combined reflective spectra is analyzed. The intensity of the FFT spectra is linearly related with the refractive index and is not sensitive to the temperature.

Resonant photoionization absorption spectra of spherical quantum dots

CERN Document Server

Bondarenko, V

2003-01-01

We study theoretically the mid-infrared photon absorption spectra due to bound-free transitions of electrons in individual spherical quantum dots. It is established that change of the dot size in one or two atomic layers or/and number of electrons by one or two can change the peak value of the absorption spectra in orders of magnitude and energy of absorbed photons by tens of millielectronvolts. The reason for this is the formation of specific free states, called resonance states. Numerical calculations are performed for quantum dots (QDs) with radius varying up to 200 A, and one to eight electrons occupying the two lowest bound states. It is supposed that realistic QD systems with resonance states would be of much advantage to design novel infrared QD photo-detectors.

Fano resonances from gradient-index metamaterials.

Science.gov (United States)

Xu, Yadong; Li, Sucheng; Hou, Bo; Chen, Huanyang

2016-01-27

Fano resonances - resonant scattering features with a characteristic asymmetric profile - have generated much interest, due to their extensive and valuable applications in chemical or biological sensors, new types of optical switches, lasers and nonlinear optics. They have been observed in a wide variety of resonant optical systems, including photonic crystals, metamaterials, metallic gratings and nanostructures. In this work, a waveguide structure is designed by employing gradient-index metamaterials, supporting strong Fano resonances with extremely sharp spectra. As the changes in the transmission spectrum originate from the interaction of guided modes from different channels, instead of resonance structures or metamolecules, the Fano resonances can be observed for both transverse electric and transverse magnetic polarizations. These findings are verified by fine agreement with analytical calculations and experimental results at microwave, as well as simulated results at near infrared frequencies.

Infrared spectroscopic study of the synthetic Mg-Ni talc series

Science.gov (United States)

Blanchard, Marc; Méheut, Merlin; Delon, Louise; Poirier, Mathilde; Micoud, Pierre; Le Roux, Christophe; Martin, François

2018-05-01

Five talc samples [(Mg,Ni)3Si4O10(OH)2] covering the entire Mg-Ni solid solution were synthesized following a recently developed and patented process (Dumas et al., Process for preparing a composition comprising synthetic mineral particles and composition, 2013a; Procédé de préparation d'une composition comprenant des particules minérales synthétiques et composition, 2013b), which produces sub-micron talc particles replying to industrial needs. Near- and mid-infrared spectra were collected and compared to infrared spectra modeled from first-principles calculations based on density functional theory. The good agreement between experimental and theoretical spectra allowed assigning unambiguously all absorption bands. We focused in particular on the four main OH stretching bands, which represent good probes of their local physical and chemical environment. The description of the vibrational modes at the origin of these absorption bands and the theoretical determination of absorption coefficients provide a firm basis for quantifying the talc chemical composition from infrared spectroscopy and for discussing the distribution of divalent cations in the octahedral sheet. Results confirm that these synthetic talc samples have a similar structure as natural talc, with a random distribution of Mg and Ni atoms. They only differ from natural talc by their hydrophilic character, which is due to their large proportion of reactive sites on sheet edges due to sub-micronic size of the particles. Therefore, the contribution on infrared spectra of hydroxyls adsorbed on edge sites has also been investigated by computing the infrared signature of hydroxyls of surface models.

Spectra-structure correlations of saturated and unsaturated medium-chain fatty acids. Near-infrared and anharmonic DFT study of hexanoic acid and sorbic acid.

Science.gov (United States)

Grabska, Justyna; Beć, Krzysztof B; Ishigaki, Mika; Wójcik, Marek J; Ozaki, Yukihiro

2017-10-05

Quantum chemical reproduction of entire NIR spectra is a new trend, enabled by contemporary advances in the anharmonic approaches. At the same time, recent increase of the importance of NIR spectroscopy of biological samples raises high demand for gaining deeper understanding of NIR spectra of biomolecules, i.e. fatty acids. In this work we investigate saturated and unsaturated medium-chain fatty acids, hexanoic acid and sorbic acid, in the near-infrared region. By employing fully anharmonic density functional theory (DFT) calculations we reproduce the experimental NIR spectra of these systems, including the highly specific spectral features corresponding to the dimerization of fatty acids. Broad range of concentration levels from 5·10 -4 M in CCl 4 to pure samples are investigated. The major role of cyclic dimers can be evidenced for the vast majority of these samples. A highly specific NIR feature of fatty acids, the elevation of spectral baseline around 6500-4000cm -1 , is being explained by the contributions of combination bands resulting from the vibrations of hydrogen-bonded OH groups in the cyclic dimers. Based on the high agreement between the calculated and experimental NIR spectra, a detailed NIR band assignments are proposed for hexanoic acid and sorbic acid. Subsequently, the correlations between the structure and NIR spectra are elucidated, emphasizing the regions in which clear and universal traces of specific bands corresponding to saturated and unsaturated alkyl chains can be established, thus demonstrating the wavenumber regions highly valuable for structural identifications. Copyright © 2017 Elsevier B.V. All rights reserved.

Impact effects of gamma irradiation on the optical and FT infrared absorption spectra of some Nd3+-doped soda lime phosphate glasses

Science.gov (United States)

Marzouk, M. A.; Elkashef, I. M.; Elbatal, H. A.

2018-04-01

The main aim of the present work is to study by two collective optical and FTIR spectral measurements some prepared Nd2O3-doped soda lime phosphate glasses before and after gamma irradiation with dose (9 Mrad). The spectral data reveal two strong UV absorption peaks which are correlated with unavoidable trace iron impurities beside extended additional characteristic bands due to Nd3+ ions. Gamma irradiation on the undoped glass produces slight decrease of the intensity of the UV absorption and the generation of an induced visible band and these effects are controlled with two photochemical reduction of some Fe3+ ions to Fe2+ ions together with the formation of nonbridging oxygen hole center (NBOHC) or phosphorous oxygen hole center (POHC). The impact effect of gamma irradiation on the spectra of Nd2O3-doped glasses is limited due to suggested shielding behavior of neodymium ions. FT-infrared spectra show vibrational modes due to main Q2-Q3 phosphate groups and the response of gamma irradiation of the IR spectra is low and the limited variations are related to suggested changes in some bond angles and bond lengths which cause the observed decrease to the intensities of some IR bands.

Spectral Index Properties of millijansky Radio Sources in ATLAS

Science.gov (United States)

Randall, Kate; Hopkins, A. M.; Norris, R. P.; Zinn, P.; Middelberg, E.; Mao, M. Y.; Sharp, R. G.

2012-01-01

At the faintest radio flux densities (S1.4GHz 10 mJy) is well studied and is predominantly comprised of AGN. At fainter flux densities, particularly into the microJansky regime, star-forming galaxies begin to dominate the radio source population. Understanding these faint radio source populations is essential for understanding galaxy evolution, and the link between AGN and star formation. Conflicting results have recently arisen regarding whether there is a flattening of the average spectral index between a low radio frequency (325 or 610 MHz) and 1.4 GHz at these faint flux densities. To explore this issue, we have investigated the spectral index properties of a new catalogue of 843 MHz radio sources in the ELAIS-S1 (the European Large Area ISO Survey - South 1 Region) field. Our results support previous work showing a tendency towards flatter radio spectra at fainter flux densities. This catalogue is cross-matched to the Australia Telescope Large Area Survey (ATLAS), the widest deep radio survey to date at 1.4 GHz, with complementary 2.3 GHz, optical and infrared Spitzer Wide-area Infra-Red Extragalactic data. The variation of spectral index properties have been explored as a function of redshift, luminosity and flux density. [These new measurements have been used to identify a population of faint Compact Steep Spectrum sources, thought to be one of the earliest stages of the AGN life-cycle. Exploring this population will aid us in understanding the evolution of AGN as a whole.

A New Infrared Desert Dust Index over French Guyana Rain forest: First results

Science.gov (United States)

Molinie, J.; Barnacin, E.; Henry, J. L.; Gobinddass, M. L.; Panechou-Pulcherie, K.; Feuillard, T.; Nagau, J.

2017-12-01

Recently a NASA researcher showed the role of desert dust contribution for the Amazonian rain forest. In another hand, desert dust impact population health when PM 10 level reached values around and upper the PM 10 threshold of the 50 µg m-3, established by the World Health Organization (WHO). Infrared Desert Dust Index (IDDI) developed by Legrand with Meteosat infrared images, allow the following of desert dust plumes over semi-arid land. In French Guiana the WHO threshold is currently overpass in measurements done by ORA air quality network, in the two main towns located close to the coast. For inland population, it is very difficult to have continuous dust measures due to the low infrastructure supplies. We need to develop a tools in order to follow the crossing of desert dust over the French Guyana rain forest, from the coast to inland villages. Following the IDDI concept and comparing with VIIRS AOT EDR result over the same area, a modified IDDI for Amazonian region (IDDI_A) has been proposed to identify the dusty pixels over the forest. Despite of high cloud presence, a good correlation between AOT EDR and IDDI_A was obtained. The IDDI_A calculation has been applied over French Guiana area for different PM 10 level at Cayenne, a town along the coast.

Analysis of Leucaena mimosine, Acacia tannins and total phenols by near infrared reflectance spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Prasad, M N.V. [Hyderabad Univ. (India). Dept. of Plant Sciences

1995-11-01

The mimosine contents of Leucaena foliage, Acacia tannins and total phenols from leaf, bark and pod were analyzed by a near infrared relectance spectrophotometer (Compscan 3000). A calibration equation (linear summation regression) was developed with near infrared spectral analysis software, using 30 spectra from old and young leaves of Leucaena and 23 spectra from different samples of Acacia. The near infrared analyzer calculated that the percentages of mimosine, total phenols and tannins are closely comparable to laboratory results. (author)

Use of infrared radiation thermometers for temperature control of plastic and paper webs in electric infrared ovens

International Nuclear Information System (INIS)

Jacobson, D.A.

1985-01-01

Using infrared radiation thermometers in conjunction with infrared heater systems requires special considerations to ensure that accuracy will be achieved. If the thermometer picks up infrared radiation from the heaters, faulty readings can occur. Two methods are generally employed to eliminate this interference. Sight tubes are used to block infrared rays from entering the sensor lens, and a thermometer is chosen which responds to a different wavelength than that being emitted from the infrared heaters. The main types of electric infrared heaters are: (a) screw-in bulbs (shortwave); (b) evacuated tungsten filament tubes (shortwave); (c) quartz tubes (medium wave); (d) quartz panel heaters (medium wave); (e) Ceramic heaters (medium-long wave); (f) metal sheath heaters (medium-long wave). Positioning of a sensor on a production line is dictated by the product being processed and the desired use of the temperature information. The most common location for a sensor is just after the infrared unit. The pyrometer information can be used for setting up the process, for quality control, for heater failure detection, and for control of the heaters. For wide web application in which uniformity across the web is essential, traversing sensors can be used to scan the web to ensure a uniform heating of the product. This information then can be used to control infrared profiling zones which are positioned across the web. In plastics applications, the thermometer most commonly is positioned also at the exit end of the infrared unit. Control functions are similar to those just listed. In some indexing machines, the plastic is sensed while still in the last index station, and the index an be initiated by the thermometer

REDDY MAIN BELT ASTEROID SPECTRA V1.0

Data.gov (United States)

National Aeronautics and Space Administration — This data set contains low-resolution (R~150) near-infrared (0.7-2.5 microns) spectra of 90 main belt asteroids observed with the SpeX instrument on the NASA...

Application of Wavelets and Quaternions to NIR Spectra Classification

International Nuclear Information System (INIS)

Barcala Riveira, J. M.; Fernandez Marron, J. L.; Alberdi Primicia, J.; Navarrete Marin, J. J.; Oller Gonzalez, J.C.

2003-01-01

This document describes how multi resolution analysis can combine with the use of quaternions to identify near infrared spectra. The method is applied to spectra of plastics usually present in domestic wastes. First, Haar wavelet is applied to spectrum. With the coefficients obtained, a quaternion is built. We named this quaternion a characteristic quaternion. Distances to characteristic quaternions are used to classify new quaternions. (Author) 54 refs

Application of infrared spectrophotometry to the identification of inorganic substances in dosage forms of Antacida group.

Science.gov (United States)

Umbreit, M H; Jedrasiewicz, A

2000-01-01

Powdered tablets from the Antacida group: Alusal, Milk of Magnesia, Alumag, Maalox, Magnosil, Alugastrin, Malugastrin, Rennie, and components deciding about their antiacidity like Al(OH)3, Mg(OH)2, Mg2Si3O8, NaAl(OH)2CO3, MgAl(OH)(SO4)2, CaCO3, MgCO3, were subjected to infrared spectrophotometric investigations. It was found that infrared spectra of each pharmaceutical compound are different and show a series of characteristic maxima, by which they can be identified with in the spectral range of 4000 cm-1-200 cm-1. Comparison of infrared spectra of finished products with spectra of their components it was showed that the application of infrared spectrophotometry methods enabled us to prove the presence of particular compounds used in formulations. Tablet mass and odorizing agents do not cause significant changes in spectra of the tablets studied, preparations from the Antacida group.

The effect of grain size and phosphorous-doping of polycrystalline 3C-SiC on infrared reflectance spectra

Energy Technology Data Exchange (ETDEWEB)

Rooyen, I.J. van, E-mail: Isabella.vanRooyen@inl.gov [Fuel Performance and Design Department, Idaho National Laboratory, Idaho Falls, ID 83415-6188 (United States); Department of Physics, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa); Engelbrecht, J.A.A. [Department of Physics, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa); Henry, A.; Janzen, E. [Department of Physics, Chemistry and Biology, Semiconductor Materials, Linkoeping University, Linkoeping 58183 (Sweden); Neethling, J.H. [Department of Physics, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa); Rooyen, P.M. van [Philip M van Rooyen Network Consultants, Midlands Estates (South Africa)

2012-03-15

Highlights: Black-Right-Pointing-Pointer IR is investigated as a technique to measure grain size and P-doping of polycrystalline SiC. Black-Right-Pointing-Pointer Infrared plasma minima can be used to determine doping levels in 3C-SiC for doping levels greater than 5 Multiplication-Sign 10{sup 17} cm{sup -3}. Black-Right-Pointing-Pointer A linear relationship is found between FWHM and the inverse of grain size of 3C-SiC irrespective of P-doping level. Black-Right-Pointing-Pointer It is further found that {omega}{sub p} is not influenced by the grain size. Black-Right-Pointing-Pointer P-doping level has no significant effect on the linear relationship between grain size and surface roughness. - Abstract: The effect of P-doping and grain size of polycrystalline 3C-SiC on the infrared reflectance spectra is reported. The relationship between grain size and full width at half maximum (FWHM) suggest that the behavior of the 3C-SiC with the highest phosphorous doping level (of 1.2 Multiplication-Sign 10{sup 19} at. cm{sup -3}) is different from those with lower doping levels (<6.6 Multiplication-Sign 10{sup 18} at. cm{sup -3}). It is also further demonstrated that the plasma resonance frequency ({omega}{sub p}) is not influenced by the grain size.

Lanthanum trilactate: Vibrational spectroscopic study - infrared/Raman spectroscopy

Czech Academy of Sciences Publication Activity Database

Švecová, M.; Novák, Vít; Bartůněk, V.; Člupek, M.

2016-01-01

Roč. 87, Nov (2016), s. 123-128 ISSN 0924-2031 Institutional support: RVO:61388963 Keywords : lanthanum trilactate * tris(2-hydroxypropanoato-O1,O2) * lanthanum tris[2-(hydroxy-kappa O)propanoato-kappa O] * Raman spectra * infrared spectra * DFT Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.740, year: 2016

Comparison of stellar population model predictions using optical and infrared spectroscopy

Science.gov (United States)

Baldwin, C.; McDermid, R. M.; Kuntschner, H.; Maraston, C.; Conroy, C.

2018-02-01

We present Gemini/GNIRS cross-dispersed near-infrared spectra of 12 nearby early-type galaxies, with the aim of testing commonly used stellar population synthesis models. We select a subset of galaxies from the ATLAS3D sample which span a wide range of ages (single stellar population equivalent ages of 1-15 Gyr) at approximately solar metallicity. We derive star formation histories using four different stellar population synthesis models, namely those of Bruzual & Charlot, Conroy, Gunn & White, Maraston & Strömbäck and Vazdekis et al. We compare star formation histories derived from near-infrared spectra with those derived from optical spectra using the same models. We find that while all models agree in the optical, the derived star formation histories vary dramatically from model to model in the near-infrared. We find that this variation is largely driven by the choice of stellar spectral library, such that models including high-quality spectral libraries provide the best fits to the data, and are the most self-consistent when comparing optically derived properties with near-infrared ones. We also find the impact of age variation in the near-infrared to be subtle, and largely encoded in the shape of the continuum, meaning that the common approach of removing continuum information with a high-order polynomial greatly reduces our ability to constrain ages in the near-infrared.

The infrared spectral properties of frozen volatiles. [in cometary nuclei

Science.gov (United States)

Fink, U.; Sill, G. T.

1982-01-01

Since Whipple's dirty snowball model of comet nuclei, it has been generally accepted that volatile ices help to explain cometary phenomena. The infrared spectral properties of many substances that are potential candidates for frozen volatiles in the solar system are being pursued; indeed some of these frozen materials have been found in the solar system: H2O, CO2, and SO2. A review of laboratory spectra in the range 1 to 20 microns of H2O, CO2, SO2, CH4, NH3, H2S, CO, NH4HS and NH3.H2O is presented. Both reflection spectra of thick frosts and transmission spectra of thin films are shown, and their main characteristics are described. Hydrates, clathrates, and composite spectra are discussed. When it is possible to observe the nuclei of comets at close range, it may be possible to identify frozen volatiles by their infrared spectra.

Artificial neural networks as a tool for identity confirmation of infrared spectra

NARCIS (Netherlands)

Visser T; Luinge HJ; LOC

1995-01-01

Onderzoek is uitgevoerd naar de bruikbaarheid van kunstmatige neurale netwerken als criterium voor de identiteitsbevestiging van infrarood-(IR) spectra. Doel van het onderzoek is de identificatie van spectra met hoge ruisniveaus, verkregen met behulp van gecombineeerde gaschromatografie (GC)IR

Structural characterization of ammonium uranate by infrared spectroscopy

International Nuclear Information System (INIS)

Rodriguez S, A.

1994-01-01

Infrared spectroscopy have been used to investigate the chemical composition of some ammonium uranates. In this study, I have attempted to establish the interrelationship between the structure of the products, the character of their infrared spectra and x-ray diffraction data capable of consistent interpretation in terms of defining the compounds. (Author)

Fourier transform infrared spectra applications to chemical systems

CERN Document Server

Ferraro, John R

1985-01-01

The final and largest volume to complete this four-volume treatise is published in response to the intense commercial and research interest in Fourier Transform Interferometry.Presenting current information from leading experts in the field, Volume 4 introduces new information on, for example, applications of Diffuse Reflectance Spectroscopy in the Far-Infrared Region. The editors place emphasis on surface studies and address advances in Capillary Gas Chromatography - Fourier Transform Interferometry.Volume 4 especially benefits spectroscopists and physicists, as well as researchers

Study on Properties of Energy Spectra of the Molecular Crystals

Science.gov (United States)

Pang, Xiao-Feng; Chen, Xiang-Rong

The energy-spectra of nonlinear vibration of molecular crystals such as acetanilide have been calculated by using discrete nonlinear Schrödinger equation appropriate to the systems, containing various interactions. The energy levels including higher excited states are basically consistent with experimental values obtained by infrared absorption and Raman scattering in acetanilide. We further give the features of distribution of the energy-spectra for the acetanilide. Using the energy spectra we also explained well experimental results obtained by Careri et al..

Infrared characterization of strontium titanate thin films

International Nuclear Information System (INIS)

Almeida, B.G.; Pietka, A.; Mendes, J.A.

2004-01-01

Strontium titanate thin films have been prepared at different oxygen pressures with various post-deposition annealing treatments. The films were deposited by pulsed laser ablation at room temperature on Si(0 0 1) substrates with a silica buffer layer. Infrared reflectance measurements were performed in order to determine relevant film parameters such as layer thicknesses and chemical composition. The infrared reflectance spectra were fitted by using adequate dielectric function forms for each layer. The fitting procedure provided the extraction of the dielectric functions of the strontium titanate film, the silica layer and the substrate. The as-deposited films are found to be amorphous, and their infrared spectra present peaks corresponding to modes with high damping constants. As the annealing time and temperature increases the strontium titanate layer becomes more ordered so that it can be described by its SrTiO 3 bulk mode parameters. Also, the silica layer grows along with the ordering of the strontium titanate film, due to oxidation during annealing

On the Use of Fourier Transform Infrared (FT-IR) Spectroscopy and Synthetic Calibration Spectra to Quantify Gas Concentrations in a Fischer-Tropsch Catalyst System

Science.gov (United States)

Ferguson, Frank T.; Johnson, Natasha M.; Nuth, Joseph A., III

2015-01-01

One possible origin of prebiotic organic material is that these compounds were formed via Fischer-Tropsch-type (FTT) reactions of carbon monoxide and hydrogen on silicate and oxide grains in the warm, inner-solar nebula. To investigate this possibility, an experimental system has been built in which the catalytic efficiency of different grain-analog materials can be tested. During such runs, the gas phase above these grain analogs is sampled using Fourier transform infrared (FT-IR) spectroscopy. To provide quantitative estimates of the concentration of these gases, a technique in which high-resolution spectra of the gases are calculated using the high-resolution transmission molecular absorption (HITRAN) database is used. Next, these spectra are processed via a method that mimics the processes giving rise to the instrumental line shape of the FT-IR spectrometer, including apodization, self-apodization, and broadening due to the finite resolution. The result is a very close match between the measured and computed spectra. This technique was tested using four major gases found in the FTT reactions: carbon monoxide, methane, carbon dioxide, and water. For the ranges typical of the FTT reactions, the carbon monoxide results were found to be accurate to within 5% and the remaining gases accurate to within 10%. These spectra can then be used to generate synthetic calibration data, allowing the rapid computation of the gas concentrations in the FTT experiments.

EPOXI EARTH OBS - HRII CALIBRATED SPECTRA V2.0

Data.gov (United States)

National Aeronautics and Space Administration — This dataset contains calibrated, 1.05- to 4.8-micron spectra of Earth acquired by the High Resolution Infrared Spectrometer (HRII) during the EPOCh and Cruise 2...

DISCOVERY OF RUBIDIUM, CADMIUM, AND GERMANIUM EMISSION LINES IN THE NEAR-INFRARED SPECTRA OF PLANETARY NEBULAE

Energy Technology Data Exchange (ETDEWEB)

Sterling, N. C. [Department of Physics, University of West Georgia, 1601 Maple Street, Carrollton, GA 30118 (United States); Dinerstein, Harriet L.; Kaplan, Kyle F. [Department of Astronomy, University of Texas, 2515 Speedway, C1400, Austin, TX 78712-1205 (United States); Bautista, Manuel A., E-mail: nsterlin@westga.edu, E-mail: harriet@astro.as.utexas.edu, E-mail: kfkaplan@astro.as.utexas.edu, E-mail: manuel.bautista@wmich.edu [Department of Physics, Western Michigan University, Kalamazoo, MI 49008 (United States)

2016-03-01

We identify [Rb iv] 1.5973 and [Cd iv] 1.7204 μm emission lines in high-resolution (R = 40,000) near-infrared spectra of the planetary nebulae (PNe) NGC 7027 and IC 5117, obtained with the Immersion GRating INfrared Spectrometer (IGRINS) on the 2.7 m telescope at McDonald Observatory. We also identify [Ge vi] 2.1930 μm in NGC 7027. Alternate identifications for these features are ruled out based on the absence of other multiplet members and/or transitions with the same upper levels. Ge, Rb, and Cd can be enriched in PNe by s-process nucleosynthesis during the asymptotic giant branch stage of evolution. To determine ionic abundances, we calculate [Rb iv] collision strengths and use approximations for those of [Cd iv] and [Ge vi]. Our identification of [Rb iv] 1.5973 μm is supported by the agreement between Rb{sup 3+}/H{sup +} abundances found from this line and the 5759.55 Å feature in NGC 7027. Elemental Rb, Cd, and Ge abundances are derived with ionization corrections based on similarities in ionization potential ranges between the detected ions and O and Ne ionization states. Our analysis indicates abundances 2–4 times solar for Rb and Cd in both nebulae. Ge is subsolar in NGC 7027, but its abundance is uncertain due to the large and uncertain ionization correction. The general consistency of the measured relative s-process enrichments with predictions from models appropriate for these PNe (2.0–2.5 M{sub ⊙}, [Fe/H] = −0.37) demonstrates the potential of using PN compositions to test s-process nucleosynthesis models.

Infrared spectroscopy of mass-selected carbocations

Energy Technology Data Exchange (ETDEWEB)

Duncan, Michael A. [Department of Chemistry, University of Georgia, Athens, Georgia 30602 (United States)

2015-01-22

Small carbocations are of longstanding interest in astrophysics, but there are few measurements of their infrared spectroscopy in the gas phase at low temperature. There are fewer-still measurements of spectra across the full range of IR frequencies useful to obtain an IR signature of these ions to detect them in space. We have developed a pulsed-discharge supersonic nozzle ion source producing high densities of small carbocations at low temperatures (50–70K). We employ mass-selected photodissociation spectroscopy and the method of rare gas “tagging”, together with new broadly tunable infrared OPO lasers, to obtain IR spectra for a variety of small carbocations including C{sub 2}H{sub 3}{sup +}, C{sub 3}H{sub 3}{sup +}, C{sub 3}H{sub 5}{sup +}, protonated benzene and protonated naphthalene. Spectra in the frequency range of 600–4500 cm{sup −1} provide new IR data for these ions and evidence for the presence of co-existing isomeric structures (e.g., C{sub 3}H{sub 3}{sup +} is present as both cyclopropenyl and propargyl). Protonated naphthalene has sharp bands at 6.2, 7.7 and 8.6 microns matching prominent features in the UIR spectra.

Far-Infrared Absorption of PbSe Nanorods

KAUST Repository

Hyun, Byung-Ryool

2011-07-13

Measurements of the far-infrared absorption spectra of PbSe nanocrystals and nanorods are presented. As the aspect ratio of the nanorods increases, the Fröhlich sphere resonance splits into two peaks. We analyze this splitting with a classical electrostatic model, which is based on the dielectric function of bulk PbSe but without any free-carrier contribution. Good agreement between the measured and calculated spectra indicates that resonances in the local field factors underlie the measured spectra. © 2011 American Chemical Society.

Exploring proton doping in poly-3-methylpyrrole by infrared spectroscopy

International Nuclear Information System (INIS)

Sanchez de la Blanca, E.; Carrillo, I.; Redondo, M.I.; Gonzalez-Tejera, M.J.; Garcia, M.V.

2007-01-01

Structural changes induced by electrochemical redox processes or by pH variations on conducting poly-3-methylpyrrole, electrochemically synthesized in NaClO 4 acetonitrile solution, have been studied by infrared spectroscopy. With this aim infrared spectra of perchlorate doped poly-3-methylpyrrole films at different oxidation states as well as after immersion in acid (pH = 1) and basic (pH = 12.6) aqueous solutions have been analysed. The existence of proton-doping mechanism in this polymer has been confirmed from the comparative study of spectra of oxidized/reduced and acid/basic treated polymer

A Mid-Infrared Search for Kardashev Civilizations

Science.gov (United States)

Sigurdsson, Steinn; Wright, J.; Griffith, R.; Povich, M. S.

2014-01-01

We are using the WISE all-sky Source Catalog to search for and put upper limits on the existence of extraterrestrial civilizations with large energy supplies. Any galaxy-spanning (Type III) civilization with an energy supply of more than about one percent of its stellar luminosity will have detectable mid-infrared excess, and nearby (extended) galaxies with civilizations with supplies more than about 80% of their stellar luminosity will be well-distinguished from nearly all natural sources in WISE color-color space. Mid-infrared spectra, far-infrared photometry, and radio emission from CO can all be used to distinguish extraterrestrial mid-infrared radiation from dust.

Infrared and Raman spectroscopy: principles and spectral interpretation

National Research Council Canada - National Science Library

Larkin, Peter

2011-01-01

.... The book reviews basic principles, instrumentation, sampling methods, quantitative analysis, origin of group frequencies and qualitative interpretation using generalized Infrared (IR) and Raman spectra...

Handbook of infrared standards II with spectral coverage between

CERN Document Server

Meurant, Gerard

1993-01-01

This timely compilation of infrared standards has been developed for use by infrared researchers in chemistry, physics, engineering, astrophysics, and laser and atmospheric sciences. Providing maps of closely spaced molecular spectra along with their measured wavenumbers between 1.4vm and 4vm, this handbook will complement the 1986 Handbook of Infrared Standards that included special coverage between 3 and 2600vm. It will serve as a necessary reference for all researchers conducting spectroscopic investigations in the near-infrared region.Key Features:- Provides all new spec

Statistical properties of Fermi GBM GRBs' spectra

Science.gov (United States)

Rácz, István I.; Balázs, Lajos G.; Horvath, Istvan; Tóth, L. Viktor; Bagoly, Zsolt

2018-03-01

Statistical studies of gamma-ray burst (GRB) spectra may result in important information on the physics of GRBs. The Fermi GBM catalogue contains GRB parameters (peak energy, spectral indices, and intensity) estimated fitting the gamma-ray spectral energy distribution of the total emission (fluence, flnc), and during the time of the peak flux (pflx). Using contingency tables, we studied the relationship of the models best-fitting pflx and flnc time intervals. Our analysis revealed an ordering of the spectra into a power law - Comptonized - smoothly broken power law - Band series. This result was further supported by a correspondence analysis of the pflx and flnc spectra categorical variables. We performed a linear discriminant analysis (LDA) to find a relationship between categorical (spectral) and model independent physical data. LDA resulted in highly significant physical differences among the spectral types, that is more pronounced in the case of the pflx spectra, than for the flnc spectra. We interpreted this difference as caused by the temporal variation of the spectrum during the outburst. This spectral variability is confirmed by the differences in the low-energy spectral index and peak energy, between the pflx and flnc spectra. We found that the synchrotron radiation is significant in GBM spectra. The mean low-energy spectral index is close to the canonical value of α = -2/3 during the peak flux. However, α is ˜ -0.9 for the spectra of the fluences. We interpret this difference as showing that the effect of cooling is important only for the fluence spectra.

MAGNETIC ENERGY SPECTRA IN SOLAR ACTIVE REGIONS

International Nuclear Information System (INIS)

Abramenko, Valentyna; Yurchyshyn, Vasyl

2010-01-01

Line-of-sight magnetograms for 217 active regions (ARs) with different flare rates observed at the solar disk center from 1997 January until 2006 December are utilized to study the turbulence regime and its relationship to flare productivity. Data from the SOHO/MDI instrument recorded in the high-resolution mode and data from the BBSO magnetograph were used. The turbulence regime was probed via magnetic energy spectra and magnetic dissipation spectra. We found steeper energy spectra for ARs with higher flare productivity. We also report that both the power index, α, of the energy spectrum, E(k) ∼ k -α , and the total spectral energy, W = ∫E(k)dk, are comparably correlated with the flare index, A, of an AR. The correlations are found to be stronger than those found between the flare index and the total unsigned flux. The flare index for an AR can be estimated based on measurements of α and W as A = 10 b (αW) c , with b = -7.92 ± 0.58 and c = 1.85 ± 0.13. We found that the regime of the fully developed turbulence occurs in decaying ARs and in emerging ARs (at the very early stage of emergence). Well-developed ARs display underdeveloped turbulence with strong magnetic dissipation at all scales.

Signal-to-noise contribution of principal component loads in reconstructed near-infrared Raman tissue spectra.

Science.gov (United States)

Grimbergen, M C M; van Swol, C F P; Kendall, C; Verdaasdonk, R M; Stone, N; Bosch, J L H R

2010-01-01

The overall quality of Raman spectra in the near-infrared region, where biological samples are often studied, has benefited from various improvements to optical instrumentation over the past decade. However, obtaining ample spectral quality for analysis is still challenging due to device requirements and short integration times required for (in vivo) clinical applications of Raman spectroscopy. Multivariate analytical methods, such as principal component analysis (PCA) and linear discriminant analysis (LDA), are routinely applied to Raman spectral datasets to develop classification models. Data compression is necessary prior to discriminant analysis to prevent or decrease the degree of over-fitting. The logical threshold for the selection of principal components (PCs) to be used in discriminant analysis is likely to be at a point before the PCs begin to introduce equivalent signal and noise and, hence, include no additional value. Assessment of the signal-to-noise ratio (SNR) at a certain peak or over a specific spectral region will depend on the sample measured. Therefore, the mean SNR over the whole spectral region (SNR(msr)) is determined in the original spectrum as well as for spectra reconstructed from an increasing number of principal components. This paper introduces a method of assessing the influence of signal and noise from individual PC loads and indicates a method of selection of PCs for LDA. To evaluate this method, two data sets with different SNRs were used. The sets were obtained with the same Raman system and the same measurement parameters on bladder tissue collected during white light cystoscopy (set A) and fluorescence-guided cystoscopy (set B). This method shows that the mean SNR over the spectral range in the original Raman spectra of these two data sets is related to the signal and noise contribution of principal component loads. The difference in mean SNR over the spectral range can also be appreciated since fewer principal components can

[Research on infrared radiation characteristics of skin covering two acupuncture points in the hand and forearm, NeiGuan and LaoGong points].

Science.gov (United States)

Wang, Zhen; Yu, Wenlong; Cui, Han; Shi, Huafeng; Jin, Lei

2013-06-01

In order to research the infrared radiation characteristics of the skin covering Traditional Chinese acupuncture points, which are NeiGuan in the forearm and LaoGong in the center of the palm, we detected continuously the infrared radiation spectra of the human body surface by using Fourier Transform Infrared Spectroscopy. The experimental results showed that firstly, the differences of the infrared radiation spectra of the human body surface were obvious between individuals. Secondly, the infrared radiation intensity of the human body surface changed with time changing. The infrared radiation intensity in two special wavelength ranges (wavelengths from 6. 79 microm to 6. 85 microm and from 13. 6 microm to 14. 0 microm) changed much more than that in other ranges obviously. Thirdly, the proportions of the infrared radiation spectra changed, which were calculated from the spectra of two different aupuncture points, were same in these two special wavelength ranges, but their magnitude changes were different. These results suggested that the infrared radiation of acupuncture points have the same biological basis, and the mechanism of the infrared radiation in these two special wavelength ranges is different from other tissue heat radiation.

[Evaluation of circulatory state using pulse oximeter: 2. PI (perfusion index) x PVI (pleth variability index)].

Science.gov (United States)

Kaneda, Toru; Suzuki, Toshiyasu

2009-07-01

Pulse oximeter expressed by SpO2 is used for monitoring respiratory state during operation and in ICU. Perfusion index (PI) and pleth variability index (PVI) as new indexes are calculated from pulse oximeter (Masimo SET Radical-7, Masimo Corp., USA, 1998) waveforms. And these indices were used as parameters to evaluate the circulatory state. For PI calculation, the pulsatile infrared signal is indexed against the nonpulsatile infrared signal and expressed as a percentage. It might thus be of future value in assessment of perioperative changes in peripheral perfusion. PVI is a measure of a dynamic change in PI that occurs during complete respiratory cycle. It might be thought that PVI, an index automatically derived from the pulse oximeter waveform analysis, had potentially clinical applications for noninvasive hypovolemia detection and fluid responsiveness monitoring.

ON THE VIABILITY OF THE PAH MODEL AS AN EXPLANATION OF THE UNIDENTIFIED INFRARED EMISSION FEATURES

International Nuclear Information System (INIS)

Zhang, Yong; Kwok, Sun

2015-01-01

Polycyclic aromatic hydrocarbon (PAH) molecules are widely considered the preferred candidate for the carrier of the unidentified infrared emission bands observed in the interstellar medium and circumstellar envelopes. In this paper, we report the results of fitting a variety of non-PAH spectra (silicates, hydrogenated amorphous carbon, coal, and even artificial spectra) using the theoretical infrared spectra of PAHs from the NASA Ames PAH IR Spectroscopic Database. We show that these non-PAH spectra can be well fitted by PAH mixtures. This suggests that a general match between astronomical spectra and those of PAH mixtures does not necessarily provide definitive support for the PAH hypothesis

Mid-infrared and near-infrared spectroscopic study of selected magnesium carbonate minerals containing ferric iron-Implications for the geosequestration of greenhouse gases.

Science.gov (United States)

Frost, Ray L; Reddy, B Jagannadha; Bahfenne, Silmarilly; Graham, Jessica

2009-04-01

The proposal to remove greenhouse gases by pumping liquefied CO(2) several kilometres below the ground implies that many carbonate containing minerals will be formed. Among these minerals brugnatellite and coalingite are probable. Two ferric ion bearing minerals brugnatellite and coalingite with a hydrotalcite-like structure have been characterised by a combination of infrared and near-infrared (NIR) spectroscopy. The infrared spectra of the OH stretching region are characterised by OH and water stretching vibrations. Both the first and second fundamental overtones of these bands are observed in the NIR spectra in the 7030-7235 cm(-1) and 10,490-10,570 cm(-1) regions. Intense (CO(3))(2-) symmetric and antisymmetric stretching vibrations support the concept that the carbonate ion is distorted. The position of the water bending vibration indicates the water is strongly hydrogen bonded in the mineral structure. Split NIR bands at around 8675 and 11,100 cm(-1) indicate that some replacement of magnesium ions by ferrous ions in the mineral structure has occurred. Near-infrared spectroscopy is ideal for the assessment of the formation of carbonate minerals.

Infrared optical constants, dielectric constants, molar polarizabilities, transition moments, dipole moment derivatives and Raman spectrum of liquid cyclohexane

Science.gov (United States)

Keefe, C. Dale; Pickup, Janet E.

2009-06-01

Previous studies have been done in this laboratory focusing on the optical properties of several liquid aromatic and aliphatic hydrocarbons in the infrared. The current study reports the infrared and absorption Raman spectra of liquid cyclohexane. Infrared spectra were recorded at 25 °C over a wavenumber range of 7400-490 cm -1. Infrared measurements were taken using transmission cells with pathlengths ranging from 3 to 5000 μm. Raman spectra were recorded between 3700 and 100 cm -1 at 25 °C using a 180° reflection geometry. Ab initio calculations of the vibrational wavenumbers at the B3LYP/6311G level of theory were performed and used to help assign the observed IR and Raman spectra. Extensive assignments of the fundamentals and binary combinations observed in the infrared imaginary molar polarizability spectrum are reported. The imaginary molar polarizability spectrum was curve fitted to separate the intensity from the various transitions and used to determine the transition moments and magnitudes of the derivatives of the dipole moment with respect to the normal coordinates for the fundamentals.

Laboratory Infrared Spectra of Polycyclic Aromatic Nitrogen Heterocycles: Quinoline, and Phenanthridine in Solid Argon and H2O

Science.gov (United States)

Bernstein, M. P.; Mattioda, A. L.; Sandford, S. A.; Hudgins, D. M.

2004-01-01

Polycyclic aromatic hydrocarbons (PAHs) are common throughout the universe. Their detection and identification are based on telescopic infrared (IR) spectra compared with laboratory data. Polycyclic Aromatic Nitrogen Heterocycles (PANHs) are heterocyclic aromatics i.e., PAHs with carbon atoms replaced by a nitrogen atom. These molecules should be present in the interstellar medium, but have received relatively little attention. We present mid-IR spectra of two PANHs, quinoline (C9H7N), and phenanthridine (C13H9N) isolated in solid argon and frozen in solid H2O at 12 K, conditions yielding data directly comparable to astronomical observations. In contrast to simple PAHs, that do not interact strongly with solid H2O, the nitrogen atoms in PANHs are potentially capable of hydrogen bonding with H2O. Whereas the IR spectrum of phenanthridine in H2O is similar to that of the same compound isolated in an argon matrix, quinoline absorptions shift up to 16 cm(sup -1) (0.072 mm) between argon and H2O. Thus, astronomers will not always be able to rely on IR band positions of matrix isolated PANHs to correctly interpret the absorptions of PANHs frozen in H2O ice grains. Furthermore, our data suggest that relative band areas also vary, so determining column densities to better than a factor of 3 will require knowledge of the matrix in which the PANH is embedded and laboratory studies of relevant samples.

[Study of near infrared spectral preprocessing and wavelength selection methods for endometrial cancer tissue].

Science.gov (United States)

Zhao, Li-Ting; Xiang, Yu-Hong; Dai, Yin-Mei; Zhang, Zhuo-Yong

2010-04-01

Near infrared spectroscopy was applied to measure the tissue slice of endometrial tissues for collecting the spectra. A total of 154 spectra were obtained from 154 samples. The number of normal, hyperplasia, and malignant samples was 36, 60, and 58, respectively. Original near infrared spectra are composed of many variables, for example, interference information including instrument errors and physical effects such as particle size and light scatter. In order to reduce these influences, original spectra data should be performed with different spectral preprocessing methods to compress variables and extract useful information. So the methods of spectral preprocessing and wavelength selection have played an important role in near infrared spectroscopy technique. In the present paper the raw spectra were processed using various preprocessing methods including first derivative, multiplication scatter correction, Savitzky-Golay first derivative algorithm, standard normal variate, smoothing, and moving-window median. Standard deviation was used to select the optimal spectral region of 4 000-6 000 cm(-1). Then principal component analysis was used for classification. Principal component analysis results showed that three types of samples could be discriminated completely and the accuracy almost achieved 100%. This study demonstrated that near infrared spectroscopy technology and chemometrics method could be a fast, efficient, and novel means to diagnose cancer. The proposed methods would be a promising and significant diagnosis technique of early stage cancer.

Far-infrared spectroscopy of neutral interstellar clouds

International Nuclear Information System (INIS)

Watson, D.M.

1984-01-01

A summary is presented of airborne observations of the far-infrared fine structure lines of neutral atomic oxygen and singly-ionized carbon, and of the far-infrared rotational lines of CO, OH, NH 3 and HD, together with a brief description of the analysis and interpretation of the spectra. The 'state of the art' in instrument performance and the prospects for improved sensitivity and resolution are also surveyed. (Auth.)

THE SPITZER INFRARED SPECTROGRAPH SURVEY OF T TAURI STARS IN TAURUS

International Nuclear Information System (INIS)

Furlan, E.; Luhman, K. L.; Espaillat, C.

2011-01-01

We present 161 Spitzer Infrared Spectrograph (IRS) spectra of T Tauri stars and young brown dwarfs in the Taurus star-forming region. All of the targets were selected based on their infrared excess and are therefore surrounded by protoplanetary disks; they form the complete sample of all available IRS spectra of T Tauri stars with infrared excesses in Taurus. We also present the IRS spectra of seven Class 0/I objects in Taurus to complete the sample of available IRS spectra of protostars in Taurus. We use spectral indices that are not significantly affected by extinction to distinguish between envelope- and disk-dominated objects. Together with data from the literature, we construct spectral energy distributions for all objects in our sample. With spectral indices derived from the IRS spectra we infer disk properties such as dust settling and the presence of inner disk holes and gaps. We find a transitional disk frequency, which is based on objects with unusually large 13-31 μm spectral indices indicative of a wall surrounding an inner disk hole, of about 3%, and a frequency of about 20% for objects with unusually large 10 μm features, which could indicate disk gaps. The shape and strength of the 10 μm silicate emission feature suggests weaker 10 μm emission and more processed dust for very low mass objects and brown dwarfs (spectral types M6-M9). These objects also display weaker infrared excess emission from their disks, but do not appear to have more settled disks than their higher-mass counterparts. We find no difference for the spectral indices and properties of the dust between single and multiple systems.

Generation of infrared supercontinuum radiation: spatial mode dispersion and higher-order mode propagation in ZBLAN step-index fibers

DEFF Research Database (Denmark)

Ramsay, Jacob Søndergaard; Dupont, Sune Vestergaard Lund; Johansen, Mikkel Willum

2013-01-01

Using femtosecond upconversion we investigate the time and wavelength structure of infrared supercontinuum generation. It is shown that radiation is scattered into higher order spatial modes (HOMs) when generating a supercontinuum using fibers that are not single-moded, such as a step-index ZBLAN...... fiber. As a consequence of intermodal scattering and the difference in group velocity for the modes, the supercontinuum splits up spatially and temporally. Experimental results indicate that a significant part of the radiation propagates in HOMs. Conventional simulations of super-continuum generation do...

Far-infrared observations of globules

International Nuclear Information System (INIS)

Keene, J.

1981-01-01

Observations of far-infrared emission from nine globules are presented. The intensity and uniformity of the emission confirm that the heat source is the interstellar radiation field. Spectra of B133 and B335 are presented; they are consistent with optically thin thermal emission from dust with temperature 13--16 K. The emissivity of the grains must fall as fast as lambda -2 for lambda>500 μm. The temperature and intensity of B335 are used to calculate the ratio of visual extinction to far-infrared emission frequency

Theoretical emission line ratios for [Fe III] and [Fe VII] applicable to the optical and infrared spectra of gaseous nebulae.

Science.gov (United States)

Keenan, F P; Aller, L H; Ryans, R S; Hyung, S

2001-08-14

Recent calculations of electron impact excitation rates and Einstein A-coefficients for transitions among the 3d(6) levels of Fe III and among the 3d(2) levels of Fe VII are used to derive theoretical emission line ratios applicable to the optical and infrared spectra of gaseous nebulae. Results for [Fe III] are generated for electron temperatures T(e) = 7,000-20,000 K and densities N(e) = 10(2)-10(8) cm(-3), whereas those for [Fe VII] are provided for T(e) = 10,000-30,000 K and N(e) = 10(2)-10(8) cm(-3). The theoretical line ratios are significantly different in some instances from earlier calculations and resolve discrepancies between theory and observation found for the planetary nebulae IC 4997 and NGC 7027.

Classification of dry-cured hams according to the maturation time using near infrared spectra and artificial neural networks.

Science.gov (United States)

Prevolnik, M; Andronikov, D; Žlender, B; Font-i-Furnols, M; Novič, M; Škorjanc, D; Čandek-Potokar, M

2014-01-01

An attempt to classify dry-cured hams according to the maturation time on the basis of near infrared (NIR) spectra was studied. The study comprised 128 samples of biceps femoris (BF) muscle from dry-cured hams matured for 10 (n=32), 12 (n=32), 14 (n=32) or 16 months (n=32). Samples were minced and scanned in the wavelength range from 400 to 2500 nm using spectrometer NIR System model 6500 (Silver Spring, MD, USA). Spectral data were used for i) splitting of samples into the training and test set using 2D Kohonen artificial neural networks (ANN) and for ii) construction of classification models using counter-propagation ANN (CP-ANN). Different models were tested, and the one selected was based on the lowest percentage of misclassified test samples (external validation). Overall correctness of the classification was 79.7%, which demonstrates practical relevance of using NIR spectroscopy and ANN for dry-cured ham processing control. Copyright © 2013 Elsevier Ltd. All rights reserved.

Predicting ambient aerosol thermal-optical reflectance (TOR) measurements from infrared spectra: extending the predictions to different years and different sites

Science.gov (United States)

Reggente, Matteo; Dillner, Ann M.; Takahama, Satoshi

2016-02-01

Organic carbon (OC) and elemental carbon (EC) are major components of atmospheric particulate matter (PM), which has been associated with increased morbidity and mortality, climate change, and reduced visibility. Typically OC and EC concentrations are measured using thermal-optical methods such as thermal-optical reflectance (TOR) from samples collected on quartz filters. In this work, we estimate TOR OC and EC using Fourier transform infrared (FT-IR) absorbance spectra from polytetrafluoroethylene (PTFE Teflon) filters using partial least square regression (PLSR) calibrated to TOR OC and EC measurements for a wide range of samples. The proposed method can be integrated with analysis of routinely collected PTFE filter samples that, in addition to OC and EC concentrations, can concurrently provide information regarding the functional group composition of the organic aerosol. We have used the FT-IR absorbance spectra and TOR OC and EC concentrations collected in the Interagency Monitoring of PROtected Visual Environments (IMPROVE) network (USA). We used 526 samples collected in 2011 at seven sites to calibrate the models, and more than 2000 samples collected in 2013 at 17 sites to test the models. Samples from six sites are present both in the calibration and test sets. The calibrations produce accurate predictions both for samples collected at the same six sites present in the calibration set (R2 = 0.97 and R2 = 0.95 for OC and EC respectively), and for samples from 9 of the 11 sites not included in the calibration set (R2 = 0.96 and R2 = 0.91 for OC and EC respectively). Samples collected at the other two sites require a different calibration model to achieve accurate predictions. We also propose a method to anticipate the prediction error; we calculate the squared Mahalanobis distance in the feature space (scores determined by PLSR) between new spectra and spectra in the calibration set. The squared Mahalanobis distance provides a crude method for assessing the

Blind deconvolution using the similarity of multiscales regularization for infrared spectrum

International Nuclear Information System (INIS)

Huang, Tao; Liu, Hai; Zhang, Zhaoli; Liu, Sanyan; Liu, Tingting; Shen, Xiaoxuan; Zhang, Jianfeng; Zhang, Tianxu

2015-01-01

Band overlap and random noise exist widely when the spectra are captured using an infrared spectrometer, especially since the aging of instruments has become a serious problem. In this paper, via introducing the similarity of multiscales, a blind spectral deconvolution method is proposed. Considering that there is a similarity between latent spectra at different scales, it is used as prior knowledge to constrain the estimated latent spectrum similar to pre-scale to reduce artifacts which are produced from deconvolution. The experimental results indicate that the proposed method is able to obtain a better performance than state-of-the-art methods, and to obtain satisfying deconvolution results with fewer artifacts. The recovered infrared spectra can easily extract the spectral features and recognize unknown objects. (paper)

The infrared spectrum of human glioma cells is related to their in vitro and in vivo behavior

International Nuclear Information System (INIS)

Gaigneaux, A.; Decaestecker, C.; Camby, I.; Mijatovic, T.; Kiss, R.; Ruysschaert, J.M.; Goormaghtigh, E.

2004-01-01

The present research investigates whether infrared spectra can be related to the biological characteristics of glioma cell lines. We used nine human glioma cell lines for which a series of in vitro and in vivo biological features had already been established [Glia 36 (2001) 375] and were able to show that their characteristic infrared spectra reflect their in vitro migration (i.e., motility and invasiveness) properties and their in vivo aggressiveness. More particularly, the infrared data evidenced correlations at the level of the lipid/protein ratio. These relationships were found to be tissue-dependent when controlled on seven pancreatic carcinoma cell lines. We also showed that oligodendroglial and astrocytic tumor cells, whose identification remains difficult, can easily be identified by their infrared spectra in the lipid acyl chain region as well as in the nucleic acid region. We concluded that infrared spectroscopy could usefully complement information provided by more conventional diagnostic and prognostic (e.g., morphological and molecular) approaches

THE INFRARED SPECTRA OF VERY LARGE IRREGULAR POLYCYCLIC AROMATIC HYDROCARBONS (PAHs): OBSERVATIONAL PROBES OF ASTRONOMICAL PAH GEOMETRY, SIZE, AND CHARGE

International Nuclear Information System (INIS)

Bauschlicher, Charles W.; Peeters, Els; Allamandola, Louis J.

2009-01-01

The mid-infrared (IR) spectra of six large, irregular polycyclic aromatic hydrocarbons (PAHs) with formulae (C 84 H 24 -C 120 H 36 ) have been computed using density functional theory (DFT). Trends in the dominant band positions and intensities are compared to those of large, compact PAHs as a function of geometry, size, and charge. Irregular edge moieties that are common in terrestrial PAHs, such as bay regions and rings with quartet hydrogens, are shown to be uncommon in astronomical PAHs. As for all PAHs comprised solely of C and H reported to date, mid-IR emission from irregular PAHs fails to produce a strong CC str band at 6.2 μm, the position characteristic of the important, class A astronomical PAH spectra. Earlier studies showed that inclusion of nitrogen within a PAH shifts this to 6.2 μm for PAH cations. Here we show that this band shifts to 6.3 μm in nitrogenated PAH anions, close to the position of the CC stretch in class B astronomical PAH spectra. Thus, nitrogenated PAHs may be important in all sources and the peak position of the CC stretch near 6.2 μm appears to directly reflect the PAH cation to anion ratio. Large irregular PAHs exhibit features at 7.8 μm but lack them near 8.6 μm. Hence, the 7.7 μm astronomical feature is produced by a mixture of small and large PAHs while the 8.6 μm band can only be produced by large compact PAHs. As with the CC str , the position and profile of these bands reflect the PAH cation to anion ratio.

The Rovibronic Spectra of the Cyclopentadienyl Radical

Science.gov (United States)

Sharma, Ketan; Miller, Terry A.; Stanton, John F.; Nesbitt, David

2017-06-01

Cyclopentadienyl (Cp) radical has been subject to numerous studies for the greater part of half a century. Experimental work has involved photo-electron spectroscopy, laser induced fluorescence excitation and emission, infrared absorption spectroscopy, and recently rotationally resolved spectra in the CH stretch region taken at JILA. Even more theoretical works appear in the literature, but substantial advances in computation have occurred since their completion. Cp's highly symmetric (D_{5h}) structure and doubly degenerate electronic ground (˜{X}^2E_1^{''}), which is subject to linear Jahn-Teller distortion, have been a great motivation for work on it. We have commenced new computational work to obtain a broad understanding of the electronic, vibrational, and rotational, i.e. rovibronic, structure of the Cp radical as revealed by its spectra, with particular emphasis on the new infrared spectra. The goal is to guide experiments and their analyses and reconcile results from spectroscopy and quantum chemistry calculations. T. Ichino, et al. J. Chem. Phys. 129, 084310 (2008) L. Yu, S. C. Foster, J. M. Williamson, M. C. Heaven and T. A. Miller J. Phys. Chem. 92, 4263 (1988) B. E. Applegate, A. J. Bezant and T. A. Miller J. Chem. Phys 114, 4869 (2001) D. Leicht, M. Kaufmann, G. Schwaab, and M. Havenith J. Chem. Phys. 145, 7 (2016), 074304.

Prebiotic polymers and infrared spectra of galactic sources

International Nuclear Information System (INIS)

Wickramasinghe, N.C.; Hoyle, F.; Brooks, J.; Shaw, G.

1977-01-01

It is stated that infrared absorption features characteristic of molecular dust clouds in the Galaxy may be assigned to complex organic polymers or prebiotic polymers. It could be argued that such highly stable, complex polymers evolve due to radiation processing of molecular mantles on interstellar grains - essentially by a type of natural selection which operates in the interstellar medium. A large fraction of all C, N, O elements in the interstellar medium could be condensed in the form of these stable polymers. Such interstellar material may also account for a significant fraction of the 'insoluble organic matter' which is found in carbonaceous chondrites. (author)

Adding a dimension to the infrared spectra of interfaces using heterodyne detected 2D sum-frequency generation (HD 2D SFG) spectroscopy.

Science.gov (United States)

Xiong, Wei; Laaser, Jennifer E; Mehlenbacher, Randy D; Zanni, Martin T

2011-12-27

In the last ten years, two-dimensional infrared spectroscopy has become an important technique for studying molecular structures and dynamics. We report the implementation of heterodyne detected two-dimensional sum-frequency generation (HD 2D SFG) spectroscopy, which is the analog of 2D infrared (2D IR) spectroscopy, but is selective to noncentrosymmetric systems such as interfaces. We implement the technique using mid-IR pulse shaping, which enables rapid scanning, phase cycling, and automatic phasing. Absorptive spectra are obtained, that have the highest frequency resolution possible, from which we extract the rephasing and nonrephasing signals that are sometimes preferred. Using this technique, we measure the vibrational mode of CO adsorbed on a polycrystalline Pt surface. The 2D spectrum reveals a significant inhomogenous contribution to the spectral line shape, which is quantified by simulations. This observation indicates that the surface conformation and environment of CO molecules is more complicated than the simple "atop" configuration assumed in previous work. Our method can be straightforwardly incorporated into many existing SFG spectrometers. The technique enables one to quantify inhomogeneity, vibrational couplings, spectral diffusion, chemical exchange, and many other properties analogous to 2D IR spectroscopy, but specifically for interfaces.

Electronic and oscillation absorption spectra of blood plamsa at surgical diseases of thyroid gland

Science.gov (United States)

Guminetskiy, S. G.; Motrich, A. V.; Poliansky, I. Y.; Hyrla, Ya. V.

2012-01-01

The results of investigating the absorption spectra of blood plasma in the visible and infrared parts of spectra obtained using the techniques of spherical photometer and spectrophotometric complex "Specord IR75" are presented. The possibility of using these spectra for diagnoses the cases of diffuse toxic goiter and nodular goiter and control of treatment process in postsurgical period in the cases of thyroid gland surgery is estimated.

Near-infrared line identification in type Ia supernovae during the transitional phase

Energy Technology Data Exchange (ETDEWEB)

Friesen, Brian; Baron, E.; Wisniewski, John P.; Miller, Timothy R. [Homer L. Dodge Department of Physics and Astronomy, 440 West Brooks Street, Room 100, Norman, OK 73019 (United States); Parrent, Jerod T. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Thomas, R. C. [Computational Cosmology Center, Computational Research Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road MS 50B-4206, Berkeley, CA 94720 (United States); Marion, G. H. [University of Texas at Austin, 1 University Station C1400, Austin, TX 78712-0259 (United States)

2014-09-10

We present near-infrared synthetic spectra of a delayed-detonation hydrodynamical model and compare them to observed spectra of four normal Type Ia supernovae ranging from day +56.5 to day +85. This is the epoch during which supernovae are believed to be undergoing the transition from the photospheric phase, where spectra are characterized by line scattering above an optically thick photosphere, to the nebular phase, where spectra consist of optically thin emission from forbidden lines. We find that most spectral features in the near-infrared can be accounted for by permitted lines of Fe II and Co II. In addition, we find that [Ni II] fits the emission feature near 1.98 μm, suggesting that a substantial mass of {sup 58}Ni exists near the center of the ejecta in these objects, arising from nuclear burning at high density.

Laboratory Investigations into the Spectra and Origin of Propylene Oxide: A Chiral Interstellar Molecule

Science.gov (United States)

Hudson, R. L.; Loeffler, M. J.; Yocum, K. M.

2017-01-01

Propylene oxide was recently identified in the interstellar medium, but few laboratory results are available for this molecule to guide current and future investigations. To address this situation, here we report infrared spectra, absorption coefficients, and band strengths of solid propylene oxide along with the first measurement of its refractive index and a calculation of its density, all for the amorphous solid form of the compound. We present the first experimental results showing a low-temperature formation pathway for propylene oxide near 10 K in interstellar ice analogs. Connections are drawn between our new results and the interstellar molecules propanal and acetone, and predictions are made about several as yet unobserved vinyl alcohols and methylketene. Comparisons are given to earlier laboratory work and a few applications to interstellar and solar system astrochemistry are described.

Laboratory Investigations into the Spectra and Origin of Propylene Oxide: A Chiral Interstellar Molecule

Energy Technology Data Exchange (ETDEWEB)

Hudson, R. L.; Loeffler, M. J. [Astrochemistry Laboratory (Code 691), NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Yocum, K. M., E-mail: Reggie.Hudson@nasa.gov [Department of Chemistry, Kutztown University, Kutztown, PA 19530 (United States)

2017-02-01

Propylene oxide was recently identified in the interstellar medium, but few laboratory results are available for this molecule to guide current and future investigations. To address this situation, here we report infrared spectra, absorption coefficients, and band strengths of solid propylene oxide along with the first measurement of its refractive index and a calculation of its density, all for the amorphous solid form of the compound. We present the first experimental results showing a low-temperature formation pathway for propylene oxide near 10 K in interstellar ice analogs. Connections are drawn between our new results and the interstellar molecules propanal and acetone, and predictions are made about several as yet unobserved vinyl alcohols and methylketene. Comparisons are given to earlier laboratory work and a few applications to interstellar and solar system astrochemistry are described.

Fourier Transform Infrared Spectroscopy (FTIR) as a Tool for the Identification and Differentiation of Pathogenic Bacteria.

Science.gov (United States)

Zarnowiec, Paulina; Lechowicz, Łukasz; Czerwonka, Grzegorz; Kaca, Wiesław

2015-01-01

Methods of human bacterial pathogen identification need to be fast, reliable, inexpensive, and time efficient. These requirements may be met by vibrational spectroscopic techniques. The method that is most often used for bacterial detection and identification is Fourier transform infrared spectroscopy (FTIR). It enables biochemical scans of whole bacterial cells or parts thereof at infrared frequencies (4,000-600 cm(-1)). The recorded spectra must be subsequently transformed in order to minimize data variability and to amplify the chemically-based spectral differences in order to facilitate spectra interpretation and analysis. In the next step, the transformed spectra are analyzed by data reduction tools, regression techniques, and classification methods. Chemometric analysis of FTIR spectra is a basic technique for discriminating between bacteria at the genus, species, and clonal levels. Examples of bacterial pathogen identification and methods of differentiation up to the clonal level, based on infrared spectroscopy, are presented below.

The production and gas phase infrared spectra of phosphorous halides, O=P-X where X=F, CI and Br

International Nuclear Information System (INIS)

Allaf, A.W.

1997-05-01

A new route has been devised, leading to the production of Pox 3 molecules where X=F, Br and I by an on-line process using phosphoryl chloride, POCL 3 as a starting material passed over heated sodium fluoride, NaF, potassium bromide, KBr and potassium iodide, K1 at 535 Centigrade, 690 Centigrade and 480 Centigrade, respectively. The low resolution gas-phase fourier transform infrared spectra reported for the first time showed strong bands centered at 1411.6, 1322.9, 1300.8 and 1285 cm - 1, assigned to υ 1 (a 1 ), the O = P stretching fundamental of POF 3 , POCL 3 , POBR 3 and POI 3 , respectively. Attempts were made to prepare POCL 2 and POBr 2 , by an on-line process using POCL 3 again but passed over heated sodium and potassium bromide for POCL 2 and POBr 2 . (author). 16 refs., 6 figs., 2 tab

Hydrogen, oxygen and hydroxyl on porous silicon surface: A joint density-functional perturbation theory and infrared spectroscopy approach

International Nuclear Information System (INIS)

Alfaro, Pedro; Palavicini, Alessio; Wang, Chumin

2014-01-01

Based on the density functional perturbation theory (DFPT), infrared absorption spectra of porous silicon are calculated by using an ordered pore model, in which columns of silicon atoms are removed along the [001] direction and dangling bonds are initially saturated with hydrogen atoms. When these atoms on the pore surface are gradually replaced by oxygen ones, the ab-initio infrared absorption spectra reveal oxygen, hydroxyl, and coupled hydrogen–oxygen vibrational modes. In a parallel way, freestanding porous silicon samples were prepared by using electrochemical etching and they were further thermally oxidized in a dry oxygen ambient. Fourier transform infrared spectroscopy was used to investigate the surface modifications caused by oxygen adsorption. In particular, the predicted hydroxyl and oxygen bound to the silicon pore surface are confirmed. Finally, a global analysis of measured transmittance spectra has been performed by means of a combined DFPT and thin-film optics approach. - Highlights: • The density functional perturbation theory is used to study infrared absorption. • An ordered pore model is used to investigate the oxidation in porous silicon (PSi). • Infrared transmittance spectra of oxidized PSi freestanding samples are measured

ARTIFICIAL NEURAL-NETWORK PREDICTIONS OF URINARY CALCULUS COMPOSITIONS ANALYZED WITH INFRARED-SPECTROSCOPY

NARCIS (Netherlands)

VOLMER, M; WOLTHERS, BG; METTING, HJ; DEHAAN, THY; COENEGRACHT, PMJ; VANDERSLIK, W

Infrared (IR) spectroscopy is used to analyze urinary calculus (renal stone) constituents. However, interpretation of IR spectra for quantifying urinary calculus constituents in mixtures is difficult, requiring expert knowledge by trained technicians. In our laboratory IR spectra of unknown calculi

Lattice vibration spectra. 16

International Nuclear Information System (INIS)

Lutz, H.D.; Willich, P.

1977-01-01

The FIR absorption spectra of pyrite type compounds RuS 2 , RuSsub(2-x)Sesub(x), RuSe 2 , RuTe 2 , OsS 2 , OsSe 2 , and PtP 2 as well as loellingite type phosphides FeP 2 , RuP 2 , and OsP 2 are reported. For RuS 2 , RuSe 2 , RuTe 2 , OsS 2 , and PtP 2 all of the five infrared allowed modes (k = 0) are observed. As a first result of a numerical normal coordinate treatment vibration forms of pyrite structure are communicated. The spectra show that lattice forces of corresponding sulfides, tellurides, and phosphides are about the same strength, but increase strongly by substitution of iron by ruthenium and especially of ruthenium by osmium. The lattice constants of the RuSsub(2-x)Sesub(x) solid solution obey Vegard's rule. (author)

Energetics of the rearrangement of neutral and ionized perfluorocyclopropane to perfluoropropylene. Use of infrared multiphoton dissociation spectra to identify structural isomers of molecular ions

International Nuclear Information System (INIS)

Bomse, D.S.; Berman, D.W.; Beauchamp, J.L.

1981-01-01

Infrared photodissociation spectroscopy is used to compare the structure of gas-phase C 3 F 6 + ions obtained by electron-impact ionization of two isomeric precursors: perfluoropropylene and perfluorocyclopropane. Photodissociation spectra are obtained by observing the extent of multiphoton dissociation as the CO 2 laser is tuned across the 925 to 1080 cm -1 wavelength range. Ions are formed, stored, and detected with the use of techniques of ion cyclotron resonance spectroscopy. Infrared multiphoton excitation is effected by using low-power, continuous-wave laser radiation. The fingerprint spectrum of the molecular ion of perfluorocyclopropane is identical with that obtained from perfluoropropylene, indicating rearrangement of the former to the latter. Photodissociation kinetics indicate that the entire perfluorocyclopropane molecular ion population isomerizes to the more stable perfluoropropylene structure. Thermochemistry of C 3 F 6 and C 3 F 6 + isomers is discussed. Comparisons are made with the analogous C 3 H 6 system. Photoionization mass spectroscopy results yield ΔH/sub f/(c-C 3 F 6 ) = -233.8 kcal/mol. 4 figures

Nontargeted, Rapid Screening of Extra Virgin Olive Oil Products for Authenticity Using Near-Infrared Spectroscopy in Combination with Conformity Index and Multivariate Statistical Analyses.

Science.gov (United States)

Karunathilaka, Sanjeewa R; Kia, Ali-Reza Fardin; Srigley, Cynthia; Chung, Jin Kyu; Mossoba, Magdi M

2016-10-01

A rapid tool for evaluating authenticity was developed and applied to the screening of extra virgin olive oil (EVOO) retail products by using Fourier-transform near infrared (FT-NIR) spectroscopy in combination with univariate and multivariate data analysis methods. Using disposable glass tubes, spectra for 62 reference EVOO, 10 edible oil adulterants, 20 blends consisting of EVOO spiked with adulterants, 88 retail EVOO products and other test samples were rapidly measured in the transmission mode without any sample preparation. The univariate conformity index (CI) and the multivariate supervised soft independent modeling of class analogy (SIMCA) classification tool were used to analyze the various olive oil products which were tested for authenticity against a library of reference EVOO. Better discrimination between the authentic EVOO and some commercial EVOO products was observed with SIMCA than with CI analysis. Approximately 61% of all EVOO commercial products were flagged by SIMCA analysis, suggesting that further analysis be performed to identify quality issues and/or potential adulterants. Due to its simplicity and speed, FT-NIR spectroscopy in combination with multivariate data analysis can be used as a complementary tool to conventional official methods of analysis to rapidly flag EVOO products that may not belong to the class of authentic EVOO. Published 2016. This article is a U.S. Government work and is in the public domain in the USA.

Manifestation of surface phonons in far infrared reflectivity of diamond-type semiconductors

Energy Technology Data Exchange (ETDEWEB)

Perez-Sanchez, F.L.; Perez-Rodriguez, F. [Instituto de Fisica, Universidad Autonoma de Puebla, Apdo. Post. J-48, Puebla, Pue. 72570 (Mexico)

2004-11-01

The coupling of surface phonons with light at (001) surfaces of diamond-structure crystals and its manifestation in far-infrared anisotropy spectra are theoretically studied. We apply the adiabatic bond charge model to describe short-range mechanical interactions together with long-range Coulomb forces and radiation fields, and we solve the corresponding system of coupled equations for the electromagnetic field and the lattice vibrations. We calculate far-infrared normal reflectance spectra of (001) surfaces of semi-infinite diamond-type crystals. In particular, we analyse reflectance spectra for the Si(001) (2 x 1) surface, which exhibit a resonance structure associated with the excitation of surface phonon modes. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

X-ray Counterparts of Infrared Faint Radio Sources

Science.gov (United States)

Schartel, Norbert

2011-10-01

Infrared Faint Radio Sources (IFRS) are radio sources with extremely faint or even absent infrared emission in deep Spitzer Surveys. Models of their spectral energy distributions, the ratios of radio to infrared flux densities and their steep radio spectra strongly suggest that IFRS are AGN at high redshifts (2IFRS, but if confirmed, the increased AGN numbers at these redshifts will account for the unresolved part of the X-ray background. The identification of X-ray counterparts of IFRS is considered to be the smoking gun for this hypothesis. We propose to observe 8 IFRS using 30ks pointed observations. X-ray detections of IFRS with different ratios of radio-to-infrared fluxes, will constrain the class-specific SED.

The TApIR experiment. IR absorption spectra of liquid hydrogen isotopologues; Das TApIR Experiment IR-Absorptionsspektren fluessiger Wasserstoffisotopologe

Energy Technology Data Exchange (ETDEWEB)

Groessle, Robin

2015-11-27

The scope of the thesis is the infrared absorption spectroscopy of liquid hydrogen isotopologues with the tritium absorption infrared spectroscopy (TApIR) experiment at the tritium laboratory Karlsruhe (TLK). The calibration process from the sample preparation to the reference measurements are described. A further issue is the classical evaluation of FTIR absorption spectra and the extension using the rolling circle filter (RCF) including the effects on statistical and systematical errors. The impact of thermal and nuclear spin temperature on the IR absorption spectra is discussed. An empirical based modeling for the IR absorption spectra of liquid hydrogen isotopologues is performed.

Near-infrared refractive index of synthetic single crystal and polycrystalline diamonds at high temperatures

Science.gov (United States)

Yurov, V. Yu.; Bushuev, E. V.; Popovich, A. F.; Bolshakov, A. P.; Ashkinazi, E. E.; Ralchenko, V. G.

2017-12-01

We measured the refractive index n(T) and thermo-optical coefficient β(T) = (1/n)(dn/dT) of high quality synthetic diamonds from room temperature to high temperatures, up to 1520 K, in near-infrared spectral range at wavelength 1.56 μm, using a low-coherence interferometry. A type IIa single crystal diamond produced by high pressure-high temperature technique and a transparent polycrystalline diamond grown by chemical vapor deposition were tested and revealed a very close n(T) behavior, with n = 2.384 ± 0.001 at T = 300 K, monotonically increasing to 2.428 at 1520 K. The n(T) data corrected to thermal expansion of diamond are well fitted with 3rd order polynomials, and alternatively, with the Bose-Einstein model with an effective oscillator frequency of 970 cm-1. Almost linear n(T) dependence is observed above 800 K. The thermo-optical coefficient is found to increase monotonically from (0.6 ± 0.1) × 10-5 K-1 (300 K) to (2.0 ± 0.1) × 10-5 K-1 (1300 K) with a tendency to saturation at >1200 K. These β(T) values are an order of magnitude lower than those known for Si, GaAs, and InP. The obtained results significantly extend the temperature range, where the refractive index of diamond was previously measured.

Infrared spectral reflectances of asteroid surfaces

Science.gov (United States)

Larson, H. P.; Veeder, G. J.

1979-01-01

This review compares the types of compositional information produced by three complementary techniques used in infrared observations of asteroid surfaces: broadband JHKL photometry, narrow band photometry, and multiplex spectroscopy. The high information content of these infrared observations permits definitive interpretations of asteroid surface compositions in terms of the major meteoritic minerals (olivine, pyroxene, plagioclase feldspar, hydrous silicates, and metallic Ni-Fe). These studies emphasize the individuality of asteroid surface compositions, the inadequacy of simple comparisons with spectra of meteorites, and the need to coordinate spectral measurements of all types to optimize diagnostic capabilities.

Infrared absorption spectroscopic study of Nd 3+ substituted Zn–Mg ...

Indian Academy of Sciences (India)

Compositions of polycrystalline ZnMg1-Fe2–NdO4 ( = 0.00, 0.20, 0.40, 0.60, 0.80 and 1.00; = 0.00, 0.05 and 0.10) ferrites were prepared by standard ceramic method and characterized by X-ray diffraction, scanning electron microscopy and infrared absorption spectroscopy. Far infrared absorption spectra show ...

Gas Measurement Using Static Fourier Transform Infrared Spectrometers.

Science.gov (United States)

Köhler, Michael H; Schardt, Michael; Rauscher, Markus S; Koch, Alexander W

2017-11-13

Online monitoring of gases in industrial processes is an ambitious task due to adverse conditions such as mechanical vibrations and temperature fluctuations. Whereas conventional Fourier transform infrared (FTIR) spectrometers use rather complex optical and mechanical designs to ensure stable operation, static FTIR spectrometers do not require moving parts and thus offer inherent stability at comparatively low costs. Therefore, we present a novel, compact gas measurement system using a static single-mirror Fourier transform spectrometer (sSMFTS). The system works in the mid-infrared range from 650 cm - 1 to 1250 cm - 1 and can be operated with a customized White cell, yielding optical path lengths of up to 120 cm for highly sensitive quantification of gas concentrations. To validate the system, we measure different concentrations of 1,1,1,2-Tetrafluoroethane (R134a) and perform a PLS regression analysis of the acquired infrared spectra. Thereby, the measured absorption spectra show good agreement with reference data. Since the system additionally permits measurement rates of up to 200 Hz and high signal-to-noise ratios, an application in process analysis appears promising.

Far-Infrared Absorption of PbSe Nanorods

KAUST Repository

Hyun, Byung-Ryool; Bartnik, A. C.; Koh, Weon-kyu; Agladze, N. I.; Wrubel, J. P.; Sievers, A. J.; Murray, Christopher B.; Wise, Frank W.

2011-01-01

Measurements of the far-infrared absorption spectra of PbSe nanocrystals and nanorods are presented. As the aspect ratio of the nanorods increases, the Fröhlich sphere resonance splits into two peaks. We analyze this splitting with a classical

Infra-red spectra of systems containing hydrogen-bonds; Spectres dans l'infrarouge de corps a liaison hydrogene

Energy Technology Data Exchange (ETDEWEB)

Marechal, Y [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

1969-07-01

A new theory of the infrared spectra of H-bonded systems is presented, which analyses the different stretching motions in an X-H...Y bond, and studies the validity of their separation. We attribute the structure in the spectra of H-bond stretching motions to the anharmonic coupling of the modes X-H...Y with the modes X-H...H. Starting with the hypothesis that the X-H...Y motion is harmonic, but depends parametrically upon the X...Y distance, and taking into account the interaction between different H-bonds, we have been able to simulate quantitatively (intensity and position) the I.R. spectra of species such as imidazole and acetic acid dimers, which are the experimentally best resolved spectra. The isotope effect (substitution of H by D) is explained quite naturally, and the experimental spectrum of deuterated species is simulated quantitatively, without introducing any other hypothesis; this fact gives us a positive test for the validity of our theory. We have extended those previous considerations to the case of H-bonded crystals, in view of a future reconstitution of their I.R. spectra. The physical meaning of our theory is quite different to most of the previously proposed theories, which have not been confirmed quantitatively, to the best of our knowledge. Those theories did not take into account the interactions between different H-bonds. Thus our quantitative simulation of complex spectra of imidazole and acetic acid, together with the correct prediction of the isotope effect, help us thinking that the proposed mechanism is responsible for the different stretching motions in H-bonded systems. (author) [French] Nous exposons une nouvelle theorie des spectres infra-rouge de la liaison hydrogene, basee sur l'analyse des mouvements d'elongation des atomes d'une liaison X-H...Y, et nous recherchons les conditions de la separabilite de ces differents mouvements. L'origine de la structure des spectres d'elongation de l'hydrogene est attribuee au couplage des modes

Low-loss 3D-laser-written mid-infrared LiNbO3 depressed-index cladding waveguides for both TE and TM polarizations.

Science.gov (United States)

Nguyen, Huu-Dat; Ródenas, Airán; Vázquez de Aldana, Javier R; Martín, Guillermo; Martínez, Javier; Aguiló, Magdalena; Pujol, Maria Cinta; Díaz, Francesc

2017-02-20

We report mid-infrared LiNbO3 depressed-index microstructured cladding waveguides fabricated by three-dimensional laser writing showing low propagation losses (~1.5 dB/cm) at 3.68 µm wavelength for both the transverse electric and magnetic polarized modes, a feature previously unachieved due to the strong anisotropic properties of this type of laser microstructured waveguides and which is of fundamental importance for many photonic applications. Using a heuristic modeling-testing iteration design approach which takes into account cladding induced stress-optic index changes, the fabricated cladding microstructure provides low-loss single mode operation for the mid-IR for both orthogonal polarizations. The dependence of the localized refractive index changes within the cladding microstructure with post-fabrication thermal annealing processes was also investigated, revealing its complex dependence of the laser induced refractive index changes on laser fabrication conditions and thermal post-processing steps. The waveguide modes properties and their dependence on thermal post-processing were numerically modeled and fitted to the experimental values by systematically varying three fundamental parameters of this type of waveguides: depressed refractive index values at sub-micron laser-written tracks, track size changes, and piezo-optic induced refractive index changes.

Influence of earlobe thickness on near infrared spectroscopy

Science.gov (United States)

Jiang, Jingying; Wang, Tianpei; Li, Si; Li, Lin; Liu, Jiajia; Xu, Kexin

2017-03-01

Near-infrared spectroscopy has been recognized as a potential technology for noninvasive blood glucose sensing. However, the detected spectral signal is unstable mainly because of (1) the weak light absorption of glucose itself within NIR range, (2) the influence of temperature and individual differences of biotissue. Our previous results demonstrated that the synergistic effect of both transmittance and reflectance could enhance the strength of the detection signal. In this talk, we design a set of experiments to analyze the effect of earlobe thickness on Near Infrared spectroscopic measurement by using home-made optical fiber probe within the wavelength of 1000-1600nm. Firstly, we made a MC simulation of single-layer skin model and five-layer skin model to get the diffused transmittance spectra and diffused reflectance spectra under different optaical path lengths. And then we obtain the spectra of the earlobes from different volunteers by the same way. The experimental results showed that with the increase of the thickness,the light intensity of diffused transmittance decreases, and the light intensity of diffused reflectance remaines substantially unchanged.

Differentiation and quality estimation of Cordyceps with infrared spectroscopy

Science.gov (United States)

Yang, Ping; Song, Ping; Sun, Su-Qin; Zhou, Qun; Feng, Shu; Tao, Jia-Xun

2009-11-01

Heretofore, a scientific and systemic method for differentiation and quality estimation of a well-known Chinese traditional medicine, 'Cordyceps', has not been established in modern market. In this paper, Fourier-transform infrared spectroscopy (FTIR) and two-dimensional correlation infrared spectroscopy (2D-IR) are employed to propose a method for analysis of Cordyceps. It has presented that IR spectra of real Cordyceps of different origins and counterfeits have their own macroscopic fingerprints, with discriminated shapes, positions and intensities. Their secondary derivative spectra can amplify the differences and confirm the potentially characteristic IR absorption bands 1400-1700 cm -1 to be investigated in 2D-IR. Many characteristic fingerprints are discovered in 2D-IR spectra in the range of 1400-1700 cm -1 and hetero 2D spectra of 670-780 cm -1 × 1400-1700 cm -1. The different fingerprints display different chemical constitutes. Through the three steps, different Cordyceps and their counterfeits can be discriminated effectively and their qualities distinctly display. Successful analysis of eight Cordyceps capsule products has proved the practicability of the method, which can also be applied to the quality estimation of other Chinese traditional medicines.

Preparation, thermogravimetric study and infrared spectra of rare earth acetates

International Nuclear Information System (INIS)

Graehlert, X.; Starke, M.

1992-01-01

The anhydrous and the hydrated acetates of Ho, Er, Tm, Yb and Lu have been prepared. The compounds obtained have been investigated by thermogravimetric analysis and infrared spectroscopy. The thermal decomposition of the rare earth acetates may proceed via various steps. It depends on both the number of crystal water molecules in the acetates and the rare earth element's behaviour. (orig.)

Techniques for Handling and Removal of Spectral Channels in Fourier Transform Synchrotron-Based Spectra

International Nuclear Information System (INIS)

Ibrahim, Amr; Predoi-Cross, Adriana; Teillet, Philippe M.

2010-01-01

Channel spectra are a big problem for those attempting to use synchrotron-based Fourier transform spectra for spectral lineshape studies. Due to the layout of the optical system at the CLS far-infrared beamline, the synchrotron beam undergoes unavoidable multiple reflections on the steering mirrors, beam splitter, several sets of windows, and filters. We present a method for eliminating channel spectra and compare the results of our technique with other methods available in the literature.

Mid-Infrared Frequency-Agile Dual-Comb Spectroscopy

Science.gov (United States)

Luo, Pei-Ling; Yan, Ming; Iwakuni, Kana; Millot, Guy; Hänsch, Theodor W.; Picqué, Nathalie

2016-06-01

We demonstrate a new approach to mid-infrared dual-comb spectroscopy. It opens up new opportunities for accurate real-time spectroscopic diagnostics and it significantly simplifies the technique of dual-comb spectroscopy. Two mid-infrared frequency combs of slightly different repetition frequencies and moderate, but rapidly tunable, spectral span are generated in the 2800-3200 cm-1 region. The generators rely on electro-optic modulators, nonlinear fibers for spectral broadening and difference frequency generation and do not involve mode-locked lasers. Flat-top frequency combs span up to 10 cm-1 with a comb line spacing of 100 MHz (3×10-3 cm-1). The performance of the spectrometer without any phase-lock electronics or correction scheme is illustrated with spectra showing resolved comb lines and Doppler-limited spectra of methane. High precision on the spectroscopic parameter (line positions and intensities) determination is demonstrated for spectra measured on a millisecond time scale and it is validated with comparison with literature data. G. Millot, S. Pitois, M. Yan, T. Hovannysyan, A. Bendahmane, T.W. Hänsch, N. Picqué, Frequency-agile dual-comb spectroscopy, Nature Photonics 10, 27-30 (2016).

SPECTRAL TYPING OF LATE-TYPE STELLAR COMPANIONS TO YOUNG STARS FROM LOW-DISPERSION NEAR-INFRARED INTEGRAL FIELD UNIT DATA

Energy Technology Data Exchange (ETDEWEB)

Roberts, Lewis C.; Beichman, Charles A.; Burruss, Rick; Ligon, E. Robert; Lockhart, Thomas G.; Roberts, Jennifer E.; Shao, Michael [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109 (United States); Rice, Emily L.; Brenner, Douglas; Oppenheimer, Ben R. [American Museum of Natural History, Central Park West at 79th Street, New York, NY 10024 (United States); Crepp, Justin R.; Dekany, Richard G.; Hillenbrand, Lynne A.; Hinkley, Sasha [California Institute of Technology, 1200 East California Boulevard, Pasadena, CA 91125 (United States); King, David; Parry, Ian R. [Institute of Astronomy, University of Cambridge, Madingley Road, Cambridge CB3 OHA (United Kingdom); Metchev, Stanimir [Department of Physics and Astronomy, State University of New York, Stony Brook, NY 11794-3800 (United States); Pueyo, Laurent; Sivaramakrishnan, Anand; Soummer, Remi, E-mail: lewis.c.roberts@jpl.nasa.gov [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); and others

2012-07-15

We used the Project 1640 near-infrared coronagraph and integral field spectrograph to observe 19 young solar-type stars. Five of these stars are known binary stars and we detected the late-type secondaries and were able to measure their JH spectra with a resolution of R {approx} 30. The reduced, extracted, and calibrated spectra were compared to template spectra from the IRTF spectral library. With this comparison, we test the accuracy and consistency of spectral-type determination with the low-resolution near-infrared spectra from P1640. Additionally, we determine effective temperature and surface gravity of the companions by fitting synthetic spectra calculated with the PHOENIX model atmosphere code. We also present several new epochs of astrometry of each of the systems. Together, these data increase our knowledge and understanding of the stellar make up of these systems. In addition to the astronomical results, the analysis presented helps validate the Project 1640 data reduction and spectral extraction processes and the utility of low-resolution, near-infrared spectra for characterizing late-type companions in multiple systems.

THE INFRARED SPECTRUM OF PROTONATED OVALENE IN SOLID PARA-HYDROGEN AND ITS POSSIBLE CONTRIBUTION TO INTERSTELLAR UNIDENTIFIED INFRARED EMISSION

Energy Technology Data Exchange (ETDEWEB)

Tsuge, Masashi; Bahou, Mohammed; Lee, Yuan-Pern [Department of Applied Chemistry and Institute of Molecular Sciences, National Chiao Tung University, 1001, Ta-Hsueh Road, Hsinchu 30010, Taiwan (China); Wu, Yu-Jong [National Synchrotron Radiation Research Center, 101, Hsin-Ann Road, Hsinchu 30076, Taiwan (China); Allamandola, Louis, E-mail: tsuge@nctu.edu.tw, E-mail: yplee@mail.nctu.edu.tw [The Astrophysics and Astrochemistry Laboratory, NASA Ames Research Center, Moffett Field, CA 94035 (United States)

2016-07-10

The mid-infrared emission from galactic objects, including reflection nebulae, planetary nebulae, proto-planetary nebulae, molecular clouds, etc, as well as external galaxies, is dominated by the unidentified infrared (UIR) emission bands. Large protonated polycyclic aromatic hydrocarbons (H{sup +}PAHs) were proposed as possible carriers, but no spectrum of an H{sup +}PAH has been shown to exactly match the UIR bands. Here, we report the IR spectrum of protonated ovalene (7-C{sub 32}H{sub 15} {sup +}) measured in a para -hydrogen ( p -H{sub 2}) matrix at 3.2 K, generated by bombarding a mixture of ovalene and p -H{sub 2} with electrons during matrix deposition. Spectral assignments were made based on the expected chemistry and on the spectra simulated with the wavenumbers and infrared intensities predicted with the B3PW91/6-311++G(2d,2p) method. The close resemblance of the observed spectral pattern to that of the UIR bands suggests that protonated ovalene may contribute to the UIR emission, particularly from objects that emit Class A spectra, such as the IRIS reflection nebula, NGC 7023.

Prediction of soluble solids content and ph in red wine by visible and near infrared spectroscopy

Science.gov (United States)

Wang, Li; He, Yong; Wang, Yanyan

2008-02-01

Soluble solids content (SSC) and pH are two major characteristic used for assessing quality of red wine, and they are also two important quality indexes in the manufacture of red wine. For rapid detection of SSC and pH in red wine, visible and near infrared (Vis/NIR) transmittance spectroscopy technique combined with partial least squares (PLS) and least squares support vector machines (LS-SVM) were used in this study. First, the near infrared transmittance spectra of 175 red wine samples were obtained using Vis/NIR spectroradiometer, then, PLS was applied for reducing the dimensionality of the original spectra, latent variables (LVs) selected by PLS could be used to replace the complex spectral data. All samples were randomly separated into calibration set and validation set. The LVs (selected by PLS) of each sample in calibration set was used as the inputs to train the LS-SVM model, then the optimal model was used to predict the SSC and pH values of samples in validation set based on their LVs. Standard error prediction (SEP) and determination coefficient (r2) were used as the evaluation standards, and the results indicated that the SEP and r2 for the prediction of SSC were 0.2313 and 0.9348; while 0.0071 and 0.9986 for pH. This prediction model was more accurate compared with the related research.

Properties of Energy Spectra of Molecular Crystals Investigated by Nonlinear Theory

Science.gov (United States)

Pang, Xiao-Feng; Zhang, Huai-Wu

We calculate the quantum energy spectra of molecular crystals, such as acetanilide, by using discrete nonlinear Schrodinger equation, containing various interactions, appropriate to the systems. The energy spectra consist of many energy bands, in each energy band there are a lot of energy levels including some higher excited states. The result of energy spectrum is basically consistent with experimental values obtained by infrared absorption and Raman scattering in acetanilide and can also explain some experimental results obtained by Careri et al. Finally, we further discuss the influences of variously characteristic parameters on the energy spectra of the systems.

Relationship between wine scores and visible-near-infrared spectra of Australian red wines.

Science.gov (United States)

Cozzolino, D; Cowey, G; Lattey, K A; Godden, P; Cynkar, W U; Dambergs, R G; Janik, L; Gishen, M

2008-06-01

Sensory analysis of wine involves the measurement, interpretation and understanding of human responses to the properties perceived by the senses such as sight, smell and taste. The sensory evaluation of wine is often carried out by wine judges, winemakers and technical staff, and allows characterization of the quality of the wine. However, this method is lengthy, expensive, and its results depend on panel training and the specific vocabulary used by the panel. A robust, rapid, unbiased and inexpensive method to assist in quality assessment purposes will therefore be beneficial for the modern wine industry. This study aims to investigate the relationship between sensory analysis, visible (VIS) and near-infrared (NIR) spectroscopy to assess sensory properties of commercial Australian wine varieties. For the purposes of this study 118 red wine samples (Cabernet Sauvignon, Shiraz, Pinot Noir, Tempranillo, Nebbiolo and blends) graded by a panel of experienced tasters and scored according to the Australian wine show system were scanned in transmission in the VIS and NIR range (400-2,500 nm). Partial least squares regression models were developed between the overall score given by the judges and the combined VIS-NIR spectra, using full cross validation (leave-one-out method). The results showed that NIR spectroscopy was able to predict wine quality scores in red wine samples (R = 0.61 and standard error of prediction of 0.81). The practical implication of this study is that instrumental methods such as VIS-NIR spectroscopy can be used to complement sensory analysis and can facilitate the task at early stages of product development, making high-throughput screening of novel products feasible or maintaining the consistency of the product.

Multi-Wavelength Observations of Asteroid 2100 Ra-Shalom: Visible, Infrared, and Thermal Spectroscopy Results

Science.gov (United States)

Clark, Beth Ellen; Shepard, M.; Bus, S. J.; Vilas, F.; Rivkin, A. S.; Lim, L.; Lederer, S.; Jarvis, K.; Shah, S.; McConnochie, T.

2004-01-01

The August 2003 apparition of asteroid 2100 Ra-Shalom brought together a collaboration of observers with the goal of obtaining rotationally resolved multiwavelength spectra at each of 5 facilities: infrared spectra at the NASA Infrared Telescope Facility (Clark and Shepard), radar images at Arecibo (Shepard and Clark), thermal infrared spectra at Palomar (Lim, McConnochie and Bell), visible spectra at McDonald Observatory (Vilas, Lederer and Jarvis), and visible lightcurves at Ondrojev Observatory (Pravec). The radar data was to be used to develop a high spatial resolution physical model to be used in conjunction with spectral data to investigate compositional and textural properties on the near surface of Ra Shalom as a function of rotation phase. This was the first coordinated multi-wavelength investigation of any Aten asteroid. There are many reasons to study near-Earth asteroid (NEA) 2100 Ra-Shalom: 1) It has a controversial classification (is it a C- or K-type object)? 2) There would be interesting dynamical ramifications if Ra-Shalom is a K-type because most K-types come from the Eos family and there are no known dynamical pathways from Eos to the Aten population. 3) The best available spectra obtained previously may indicate a heterogeneous surface (most asteroids appear to be fairly homogeneous). 4) Ra-Shalom thermal observations obtained previously indicated a lack of regolith, minimizing the worry of space weathering effects in the spectra. 5) Radar observations obtained previously hinted at interesting surface structures. 6) Ra-Shalom is one of the largest Aten objects. And 7) Ra-Shalom is on a short list of proposed NEAs for spacecraft encounters and possible sample returns. Preliminary results from the visible, infrared, and thermal spectroscopy measurements will be presented here.

Infrared sensor for water pollution and monitoring

Science.gov (United States)

Baudet, E.; Gutierrez-Arrovo, A.; Bailleul, M.; Rinnert, E.; Nemec, P.; Charrier, J.; Bodiou, L.; Colas, F.; Compère, C.; Boussard, C.; Bureau, B.; Michel, K.; Nazabal, V.

2017-05-01

Development of Mid-infrared sensors for the detection of biochemical molecules is a challenge of great importance. Mid-infrared range (4000 - 400 cm-1) contains the absorption bands related to the vibrations of organic molecules (nitrates, hydrocarbons, pesticides, etc.). Chalcogenide glasses are an important class of amorphous materials appropriate for sensing applications. Indeed, they are mainly studied and used for their wide transparency in the infrared range (up to 15 μm for selenide glasses) and high refractive index (between 2 and 3). The aim of this study is to synthesize and characterize chalcogenide thin films for developing mid-IR optical waveguides. Therefore, two (GeSe2)100-x(Sb2Se3)x chalcogenide glasses, where x=10 and 50 were chosen for their good mid-IR transparency, high stability against crystallization and their refractive index contrast suitable for mid-IR waveguiding. Chalcogenide glasses were prepared using the conventional melting and quenching method and then used for RF magnetron sputtering deposition. Sputtered thin films were characterized in order to determine dispersion of refractive index in UV-Vis-NIR-MIR. Obtained results were used for the simulation of the optical design in mid-infrared (λ = 7.7 μm). Selenide ridge waveguide were prepared by RIE-ICP dry etching process. Single-mode propagation at 7.7 μm was observed. Optical losses of 0.7 +/- 0.3 and 2.5 +/- 0.1 dB.cm-1 were measured in near-infrared (λ = 1.55 μm) and midinfrared (λ = 7.7 μm), respectively. Achieved results are promising for the fabrication of an integrated optical sensor operating in the mid-infrared.

A spectroscopic comparison of selected Chinese kaolinite, coal bearing kaolinite and halloysite - A mid-infrared and near-infrared study

Energy Technology Data Exchange (ETDEWEB)

Cheng, H.F.; Yang, J.; Liu, Q.F.; Zhang, J.S.; Frost, R.L. [Queensland University of Technology, Brisbane, Qld. (Australia). Faculty of Science & Technology

2010-11-15

Mid-infrared (MIR) and near-infrared (NIR) spectroscopy have been compared and evaluated for differentiating kaolinite, coal bearing kaolinite and halloysite. Kaolinite, coal bearing kaolinite and halloysite are the three relative abundant minerals of the kaolin group, especially in China. In the MIR spectra, the differences are shown in the 3000-3600 cm{sup -1} between kaolinite and halloysite. It cannot obviously differentiate the kaolinite and halloysite, leaving alone kaolinite and coal bearing kaolinite. However, NIR, together with MIR, gives us the sufficient evidence to differentiate the kaolinite and halloysite, especially kaolinite and coal bearing kaolinite. There are obvious differences between kaolinite and halloysite in all range of their spectra, and they also show some difference between kaolinite and coal bearing kaolinite. Therefore, the reproducibility of measurement, signal to noise ratio and richness of qualitative information should be simultaneously considered for proper selection of a spectroscopic method for mineral analysis.

Investigation into interaction of CO/sub 2/ molecules with zeolites by infrared spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Ignat' eva, L A; Levshin, L V; Chukin, G D; Efimenko, L V; Kozlova, T I [Moskovskij Gosudarstvennyj Univ. (USSR). Kafedra Optiki

1975-07-01

Interaction of CO/sub 2/ molecules with zeolites, particularly with SrNaJ was studied by infrared-spectroscopy. To obtain infrared-spectra the zeolites were pressed into tablets and were calcinated at 500 deg. In the spectra the bands of chemisorbed CO/sub 2/ absorption were found in the range 1300 - 1600 cm/sup -1/. The CO/sub 2/ molecule was found to be strongly deformed due to chemisorption. In terms of electronic structure of the zeolite crystalline skeleton several types of CO/sub 2/ molecules interaction with different active zeolites were found. The position of the high-frequency band of CO/sub 2/ absorption in zeolites spectra was found to be a linear function of electrostatic field of the cations.

Synchrotron radiation infrared microspectroscopy to assess the activity of vancomycin against endocarditis vegetation bacteria.

Science.gov (United States)

Batard, Eric; Jamme, Frédéric; Montassier, Emmanuel; Bertrand, Dominique; Caillon, Jocelyne; Potel, Gilles; Dumas, Paul

2011-06-01

Infrared microspectroscopy was used to show that vancomycin alters infrared spectra of endocarditis vegetation bacteria, and that vancomycin effects on bacterial biochemical contents are unevenly distributed between peripheral and central areas of bacterial masses. Infrared microspectroscopy is useful to study the activity of antibacterial agents against bacteria in tissues. Copyright © 2011 Elsevier B.V. All rights reserved.

Structure, spectra and thermal, mechanical, Faraday rotation properties of novel diamagnetic SeO2-PbO-Bi2O3-B2O3 glasses

Science.gov (United States)

Chen, Qiuling; Su, Kai; Li, Yantao; Zhao, Zhiwei

2018-06-01

Faraday rotation diamagnetic glass has attracted research attentions in photonics, sensing and magneto optical devices due to their high refractive index, wide transmittance in UV and Fourier transform infrared (FT-IR) range and temperature independent Faraday rotation. Selenite modified heavy metal oxides glasses with composition of xSeO2-(10-x) B2O3-45PbO-45Bi2O3 (x = 0, 1, 5 and 10mol%) and 15%SeO2-40%PbO-45%Bi2O3 have been fabricated by melt-quenching method in present study. The influence of SeO2 on glass forming ability, thermal, mechanical properties and Faraday rotation were evaluated through X-ray Diffraction (XRD), Fourier transforms infrared spectra (FT-IR), Raman, X-ray photoelectron spectroscopy (XPS), differential scanning calorimetry (DSC), Vicker's hardness and Verdet constant measurements. XRD spectra reveal that the good vitrification was achieved for glass with SeO2 amounts ≤10% even without B2O3. FT-IR, Raman and XPS spectra ascertain the existence of characteristic vibration of SeO4, SeO3, PbO4, BiO3 and BO3 units. The incorporation of SeO2 increases the connectivity of glassy network by increasing the Tg, thermal stability and mechanical hardness. The small band gap, high polarizable Se4+ ions and isolated SeO3 units contribute to Faraday rotation improvement.

Refractive index dependence of Papilio Ulysses butterfly wings reflectance spectra

Science.gov (United States)

Isnaeni, Muslimin, Ahmad Novi; Birowosuto, Muhammad Danang

2016-02-01

We have observed and utilized butterfly wings of Papilio Ulysses for refractive index sensor. We noticed this butterfly wings have photonic crystal structure, which causes blue color appearance on the wings. The photonic crystal structure, which consists of cuticle and air void, is approximated as one dimensional photonic crystal structure. This photonic crystal structure opens potential to several optical devices application, such as refractive index sensor. We have utilized small piece of Papilio Ulysses butterfly wings to characterize refractive index of several liquid base on reflectance spectrum of butterfly wings in the presence of sample liquid. For comparison, we simulated reflectance spectrum of one dimensional photonic crystal structure having material parameter based on real structure of butterfly wings. We found that reflectance spectrum peaks shifted as refractive index of sample changes. Although there is a slight difference in reflectance spectrum peaks between measured spectrum and calculated spectrum, the trend of reflectance spectrum peaks as function of sample's refractive index is the similar. We assume that during the measurement, the air void that filled by sample liquid is expanded due to liquid pressure. This change of void shape causes non-similarity between measured spectrum and calculated spectrum.

Rotation-vibration interactions in the spectra of polycyclic aromatic hydrocarbons: Quinoline as a test-case species

International Nuclear Information System (INIS)

Pirali, O.; Gruet, S.; Kisiel, Z.; Goubet, M.; Martin-Drumel, M. A.; Cuisset, A.; Hindle, F.; Mouret, G.

2015-01-01

Polycyclic aromatic hydrocarbons (PAHs) are highly relevant for astrophysics as possible, though controversial, carriers of the unidentified infrared emission bands that are observed in a number of different astronomical objects. In support of radio-astronomical observations, high resolution laboratory spectroscopy has already provided the rotational spectra in the vibrational ground state of several molecules of this type, although the rotational study of their dense infrared (IR) bands has only recently become possible using a limited number of experimental set-ups. To date, all of the rotationally resolved data have concerned unperturbed spectra. We presently report the results of a high resolution study of the three lowest vibrational states of quinoline C 9 H 7 N, an N-bearing naphthalene derivative. While the pure rotational ground state spectrum of quinoline is unperturbed, severe complications appear in the spectra of the ν 45 and ν 44 vibrational modes (located at about 168 cm −1 and 178 cm −1 , respectively). In order to study these effects in detail, we employed three different and complementary experimental techniques: Fourier-transform microwave spectroscopy, millimeter-wave spectroscopy, and Fourier-transform far-infrared spectroscopy with a synchrotron radiation source. Due to the high density of states in the IR spectra of molecules as large as PAHs, perturbations in the rotational spectra of excited states should be ubiquitous. Our study identifies for the first time this effect and provides some insights into an appropriate treatment of such perturbations

Rotation-vibration interactions in the spectra of polycyclic aromatic hydrocarbons: Quinoline as a test-case species

Science.gov (United States)

Pirali, O.; Kisiel, Z.; Goubet, M.; Gruet, S.; Martin-Drumel, M. A.; Cuisset, A.; Hindle, F.; Mouret, G.

2015-03-01

Polycyclic aromatic hydrocarbons (PAHs) are highly relevant for astrophysics as possible, though controversial, carriers of the unidentified infrared emission bands that are observed in a number of different astronomical objects. In support of radio-astronomical observations, high resolution laboratory spectroscopy has already provided the rotational spectra in the vibrational ground state of several molecules of this type, although the rotational study of their dense infrared (IR) bands has only recently become possible using a limited number of experimental set-ups. To date, all of the rotationally resolved data have concerned unperturbed spectra. We presently report the results of a high resolution study of the three lowest vibrational states of quinoline C9H7N, an N-bearing naphthalene derivative. While the pure rotational ground state spectrum of quinoline is unperturbed, severe complications appear in the spectra of the ν45 and ν44 vibrational modes (located at about 168 cm-1 and 178 cm-1, respectively). In order to study these effects in detail, we employed three different and complementary experimental techniques: Fourier-transform microwave spectroscopy, millimeter-wave spectroscopy, and Fourier-transform far-infrared spectroscopy with a synchrotron radiation source. Due to the high density of states in the IR spectra of molecules as large as PAHs, perturbations in the rotational spectra of excited states should be ubiquitous. Our study identifies for the first time this effect and provides some insights into an appropriate treatment of such perturbations.

Rotation-vibration interactions in the spectra of polycyclic aromatic hydrocarbons: Quinoline as a test-case species

Energy Technology Data Exchange (ETDEWEB)

Pirali, O.; Gruet, S. [AILES Beamline, Synchrotron SOLEIL, l’Orme des Merisiers, Saint-Aubin, 91192 Gif-sur-Yvette cedex (France); Institut des Sciences Moléculaires d’Orsay, UMR8214 CNRS – Université Paris-Sud, Bât. 210, 91405 Orsay cedex (France); Kisiel, Z. [Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Goubet, M. [Laboratoire de Physique des Lasers, Atomes et Molécules, UMR 8523 CNRS - Université Lille 1, Bâtiment P5, F-59655 Villeneuve d’Ascq Cedex (France); Martin-Drumel, M. A.; Cuisset, A.; Hindle, F.; Mouret, G. [Laboratoire de Physico-Chimie de l’Atmosphère, EA-4493, Université du Littoral – Côte d’Opale, 59140 Dunkerque (France)

2015-03-14

Polycyclic aromatic hydrocarbons (PAHs) are highly relevant for astrophysics as possible, though controversial, carriers of the unidentified infrared emission bands that are observed in a number of different astronomical objects. In support of radio-astronomical observations, high resolution laboratory spectroscopy has already provided the rotational spectra in the vibrational ground state of several molecules of this type, although the rotational study of their dense infrared (IR) bands has only recently become possible using a limited number of experimental set-ups. To date, all of the rotationally resolved data have concerned unperturbed spectra. We presently report the results of a high resolution study of the three lowest vibrational states of quinoline C{sub 9}H{sub 7}N, an N-bearing naphthalene derivative. While the pure rotational ground state spectrum of quinoline is unperturbed, severe complications appear in the spectra of the ν{sub 45} and ν{sub 44} vibrational modes (located at about 168 cm{sup −1} and 178 cm{sup −1}, respectively). In order to study these effects in detail, we employed three different and complementary experimental techniques: Fourier-transform microwave spectroscopy, millimeter-wave spectroscopy, and Fourier-transform far-infrared spectroscopy with a synchrotron radiation source. Due to the high density of states in the IR spectra of molecules as large as PAHs, perturbations in the rotational spectra of excited states should be ubiquitous. Our study identifies for the first time this effect and provides some insights into an appropriate treatment of such perturbations.

Infrared emission high spectral resolution atlas of the stratospheric limb

Science.gov (United States)

Maguire, William C.; Kunde, Virgil G.; Herath, Lawrence W.

1989-01-01

An atlas of high resolution infrared emission spectra identifies a number of gaseous atmospheric features significant to stratospheric chemistry in the 770-900/cm and 1100-1360/cm regions at six zenith angles from 86.7 to 95.1 deg. A balloon-borne Michelson interferometer was flown to obtain about 0.03/cm resolution spectra. Two 10/cm extracts are presented here.

Visible-near infrared spectra of hydrous carbonates, with implications for the detection of carbonates in hyperspectral data of Mars

Science.gov (United States)

Harner, Patrick L.; Gilmore, Martha S.

2015-04-01

We present visible-near infrared (VNIR, 0.35-5 μm) spectra for a suite of hydrous carbonates that may be relevant to the surface of Mars. This includes VNIR spectra for ikaite, nesquehonite, synthetic monohydrocalcite and lansfordite over the 0.35-2.5 μm range that are new to the literature. The spectral features of the hydrous carbonates are dominated by absorptions at ∼1.0, 1.2, 1.4-1.5, 1.9 and 2.8 μm that are due to overtones and combinations of fundamental water and hydroxyl vibrations. Absorptions due to (CO3)2-, Mg-OH, Fe-OH, and/or water are seen at ∼2.3-2.5, 3.4, and 3.9 μm in hydrous Mg and Mg-Fe3+ carbonates containing hydroxyl groups, but are weaker than in the common anhydrous carbonates. When present in the hydrous carbonates, the positions of the centers of the 2.3 μm and/or 2.5 μm absorptions are often shifted relative to the anhydrous carbonates, which may be diagnostic. Some or all of the (CO3)2- absorptions typical of anhydrous carbonates are weak to absent in the hydrous carbonates, and thus this group may be difficult to distinguish from other hydrous minerals like sulfates, phyllosilicates or chlorides in Compact Reconnaissance Imaging Spectrometer for Mars (CRISM) data using standard spectral search parameters for anhydrous carbonates. We present strategies for recognizing hydrous carbonates in CRISM data using combinations of spectral parameters that measure the intensity and shape of the water-related absorptions in these minerals.

High resolution infrared and Raman spectra of 13C12CD2: The CD stretching fundamentals and associated combination and hot bands

International Nuclear Information System (INIS)

Di Lonardo, G.; Fusina, L.; Canè, E.; Tamassia, F.; Martínez, R. Z.; Bermejo, D.

2015-01-01

Infrared and Raman spectra of mono 13 C fully deuterated acetylene, 13 C 12 CD 2 , have been recorded and analysed to obtain detailed information on the C—D stretching fundamentals and associated combination, overtone, and hot bands. Infrared spectra were recorded at an instrumental resolution ranging between 0.006 and 0.01 cm −1 in the region 1800–7800 cm −1 . Sixty new bands involving the ν 1 and ν 3 C—D stretching modes also associated with the ν 4 and ν 5 bending vibrations have been observed and analysed. In total, 5881 transitions have been assigned in the investigated spectral region. In addition, the Q branch of the ν 1 fundamental was recorded using inverse Raman spectroscopy, with an instrumental resolution of about 0.003 cm −1 . The transitions relative to each stretching mode, i.e., the fundamental band, its first overtone, and associated hot and combination bands involving bending states with υ 4 + υ 5 up to 2 were fitted simultaneously. The usual Hamiltonian appropriate to a linear molecule, including vibration and rotation l-type and the Darling–Dennison interaction between υ 4 = 2 and υ 5 = 2 levels associated with the stretching states, was adopted for the analysis. The standard deviation for each global fit is ≤0.0004 cm −1 , of the same order of magnitude of the measurement precision. Slightly improved parameters for the bending and the ν 2 manifold have been also determined. Precise values of spectroscopic parameters deperturbed from the resonance interactions have been obtained. They provide quantitative information on the anharmonic character of the potential energy surface, which can be useful, in addition to those reported in the literature, for the determination of a general anharmonic force field for the molecule. Finally, the obtained values of the Darling–Dennison constants can be valuable for understanding energy flows between independent vibrations

Infrared laser spectroscopy of H2 and D2 Rydberg states. II. Diode laser spectra and assignment of 5g--4f, 6h--5g, and 8i--6h systems

International Nuclear Information System (INIS)

Davies, P.B.; Guest, M.A.; Stickland, R.J.

1990-01-01

Infrared diode laser absorption spectra of portions of the 5g--4f, 6h--5g, and 8i--6h Rydberg bands of H 2 and D 2 have been measured at Doppler limited resolution in low pressure A. C. discharges. The spectra, arising from L uncoupled states of H 2 and D 2 , are assigned using an ab initio polarization model supported by intensity calculations. Details of the different implementations of this polarization model are given in the preceding paper. The most useful was the single channel vibrationally extended (1)/(2) V 6 model which became progressively better at higher n (and L). Results of multichannel calculations for a selected set of transitions are also reported

Implanted near-infrared spectroscopy for cardiac monitoring

Science.gov (United States)

Bhunia, Sourav K.; Cinbis, Can

2011-02-01

Implanted Cardioverter Defibrillator (ICD) provides one of the most effective therapies for the prevention of sudden cardiac death, but also delivers some high voltage shocks inappropriately, causing morbidity and mortality. Implanted near-infrared spectroscopy (NIRS) may augment ICD arrhythmia detection by monitoring skeletal muscle perfusion. A two-wavelength, single-distance, continuous-wave implanted NIRS has been evaluated in-vivo. A weighted difference of the changes in attenuation at two wavelengths, across the isobestic point of the hemoglobin spectra, was taken to be the microvascular oxygenation trend indicator (O2 Index). Although the exact weight depends on the local vascular distribution and their oxygen levels, the hypothesis that a constant weight may be adequate for hemodynamic trending during short arrhythmic episodes, was tested. The sensor was implanted subcutaneously both on fresh tissue and inside scar tissue that formed around a pre-existing implant, in 3 animals each. Attenuations were recorded at 660 and 890 nm during normal sinus rhythm (NSR) and induced ventricular fibrillation (VF). The slope of the O2 Index over 10 seconds was computed for 7 NSR and 8 VF episodes in fresh and 13 NSR and 15 VF episodes in scar tissue pockets. The mean O2 Index slope was significantly different (p<0.0001) between NSR and VF rhythms for both the fresh and scar tissue pockets. Therefore implanted NIRS may be useful for preventing inappropriate detection of VF during electromagnetic interference, double counting of ECG T-wave as an R-wave, ICD lead failure, electrocardiographic aberrancy etc.

Generation of pulsed far-infrared radiation and its application for far-infrared time-resolved spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Kondo, Yasuhiro [Tohoku Univ., Sendai (Japan). Faculty of Engineering

1996-07-01

So-called time-resolved spectroscopy technique has been used from old time as the means for studying the dynamic optical property, light-induced reaction and so on of matters. As an example, there is the method called pump and probe, and here, the wavelength of this probe light is the problem. If the object energy region is limited to about 0.1 eV, fast time-resolved spectroscopy is feasible relatively easily. However, energy region is extended to low energy region, the light source which is available as the pulsed probe light having sufficient intensity is limited. In this paper, the attempt of time-resolved spectroscopy utilizing coherent radiation, which has ended in failure, and the laser pulse-induced far-infrared radiation which can be utilized as new far-infrared probe light are reported. The reason why far-infrared radiation is used is explained. The attempt of time-resolved spectroscopy using NaCl crystals is reported on the equipment, the method of measuring absorption spectra and the results. Laser pulse-induced far-infrared radiation and the method of generating it are described. The multi-channel detector for far-infrared radiation which was made for trial is shown. (K.I.)

The importance of spectroscopy for infrared multiphoton excitation

International Nuclear Information System (INIS)

Fuss, W.; Kompa, K.L.

1980-07-01

It is substantiated by examples that the infrared spectra of molecules in high vibrational states are similar in width to those of the ground states. Therefore in order to explain collisionless infrared multiphoton excitation, the existence of resonance has to be checked, not only for the first three steps, but for all of them. That is, their (low resolution) spectra should be studied. This review summarizes the spectroscopic mechanisms contributing to multiphoton excitation, which have been suggested to date, including several kinds of rotational compensation and of vibrational level splitting, which cooperate to overcome the anharmonic shift. The spectral quasicontinuum, generated by intensity borrowing, must neither be very broad nor dense, and collisionless vibrational relaxation is only important at very high energies. Knowledge of relatively few spectroscopic detailes helps to understand many details and many differences in multiphoton excitatio. (orig.)

Infrared and Raman spectroscopic study of ion pairing of strontium(II ...

African Journals Online (AJOL)

ABSTRACT. Infrared and Raman spectroscopy techniques have been used to study the ionic interactions of strontium(II) and barium(II) with thiocyanate ion in liquid ammonia. A number of bands were observed in both ν(CN) and ν(CS) regions of infrared and Raman spectra and these were assigned to 1:1 contact ion pair, ...

Near infrared spectroscopy of human muscles

Science.gov (United States)

Gasbarrone, R.; Currà, A.; Cardillo, A.; Bonifazi, G.; Serranti, S.

2018-02-01

Optical spectroscopy is a powerful tool in research and industrial applications. Its properties of being rapid, non-invasive and not destructive make it a promising technique for qualitative as well as quantitative analysis in medicine. Recent advances in materials and fabrication techniques provided portable, performant, sensing spectrometers readily operated by user-friendly cabled or wireless systems. We used such a system to test whether infrared spectroscopy techniques, currently utilized in many areas as primary/secondary raw materials sector, cultural heritage, agricultural/food industry, environmental remote and proximal sensing, pharmaceutical industry, etc., could be applied in living humans to categorize muscles. We acquired muscles infrared spectra in the Vis-SWIR regions (350-2500 nm), utilizing an ASD FieldSpec 4 Standard-Res Spectroradiometer with a spectral sampling capability of 1.4 nm at 350-1000 nm and 1.1 nm at 1001-2500 nm. After a preliminary spectra pre-processing (i.e. signal scattering reduction), Principal Component Analysis (PCA) was applied to identify similar spectral features presence and to realize their further grouping. Partial Least-Squares Discriminant Analysis (PLS-DA) was utilized to implement discrimination/prediction models. We studied 22 healthy subjects (age 25-89 years, 11 females), by acquiring Vis-SWIR spectra from the upper limb muscles (i.e. biceps, a forearm flexor, and triceps, a forearm extensor). Spectroscopy was performed in fixed limb postures (elbow angle approximately 90‡). We found that optical spectroscopy can be applied to study human tissues in vivo. Vis-SWIR spectra acquired from the arm detect muscles, distinguish flexors from extensors.

Analysis of bacteria on steel surfaces using reflectance micro-Fourier transform infrared spectroscopy.

Science.gov (United States)

Ojeda, Jesús J; Romero-González, María E; Banwart, Steven A

2009-08-01

Reflectance micro-Fourier transform infrared (FT-IR) analysis has been applied to characterize biofilm formation of Aquabacterium commune, a common microorganism present on drinking water distribution systems, onto the increasingly popular pipe material stainless steel EN1.4307. The applicability of the reflectance micro-FT-IR technique for analyzing the bacterial functional groups is discussed, and the results are compared to spectra obtained using more conventional FT-IR techniques: transmission micro-FT-IR, attenuated transmitted reflectance (ATR), and KBr pellets. The differences between the infrared spectra of wet and dried bacteria, as well as free versus attached bacteria, are also discussed. The spectra obtained using reflectance micro-FT-IR spectroscopy were comparable to those obtained using other FT-IR techniques. The absence of sample preparation, the potential to analyze intact samples, and the ability to characterize opaque and thick samples without the need to transfer the bacterial samples to an infrared transparent medium or produce a pure culture were the main advantages of reflectance micro-FT-IR spectroscopy.

Correcting attenuated total reflection-fourier transform infrared spectra for water vapor and carbon dioxide

DEFF Research Database (Denmark)

Bruun, Susanne Wrang; Kohler, Achim; Adt, Isabelle

2006-01-01

an absorption band from either water vapor or CO(2). From two calibration data sets, gas model spectra were estimated in each of the four spectral regions, and these model spectra were applied for correction of gas absorptions in two independent test sets (spectra of aqueous solutions and a yeast biofilm (C...... of the growing yeast biofilm, the gas correction revealed otherwise hidden variations of relevance for modeling the growth dynamics. As the presented method improved the interpretation of the principle component analysis (PCA) models, it has proven to be a valuable tool for filtering atmospheric variation in ATR...

OMS, OM(η2-SO), and OM(η2-SO)(η2-SO2) molecules (M = Ti, Zr, Hf): infrared spectra and density functional calculations.

Science.gov (United States)

Liu, Xing; Wang, Xuefeng; Wang, Qiang; Andrews, Lester

2012-07-02

Infrared spectra of the matrix isolated OMS, OM(η(2)-SO), and OM(η(2)-SO)(η(2)-SO(2)) (M = Ti, Zr, Hf) molecules were observed following laser-ablated metal atom reactions with SO(2) during condensation in solid argon and neon. The assignments for the major vibrational modes were confirmed by appropriate S(18)O(2) and (34)SO(2) isotopic shifts, and density functional vibrational frequency calculations (B3LYP and BPW91). Bonding in the initial OM(η(2)-SO) reaction products and in the OM(η(2)-SO)(η(2)-SO(2)) adduct molecules with unusual chiral structures is discussed.

An automated baseline correction protocol for infrared spectra of atmospheric aerosols collected on polytetrafluoroethylene (Teflon) filters

Science.gov (United States)

Kuzmiakova, Adele; Dillner, Ann M.; Takahama, Satoshi

2016-06-01

A growing body of research on statistical applications for characterization of atmospheric aerosol Fourier transform infrared (FT-IR) samples collected on polytetrafluoroethylene (PTFE) filters (e.g., Russell et al., 2011; Ruthenburg et al., 2014) and a rising interest in analyzing FT-IR samples collected by air quality monitoring networks call for an automated PTFE baseline correction solution. The existing polynomial technique (Takahama et al., 2013) is not scalable to a project with a large number of aerosol samples because it contains many parameters and requires expert intervention. Therefore, the question of how to develop an automated method for baseline correcting hundreds to thousands of ambient aerosol spectra given the variability in both environmental mixture composition and PTFE baselines remains. This study approaches the question by detailing the statistical protocol, which allows for the precise definition of analyte and background subregions, applies nonparametric smoothing splines to reproduce sample-specific PTFE variations, and integrates performance metrics from atmospheric aerosol and blank samples alike in the smoothing parameter selection. Referencing 794 atmospheric aerosol samples from seven Interagency Monitoring of PROtected Visual Environment (IMPROVE) sites collected during 2011, we start by identifying key FT-IR signal characteristics, such as non-negative absorbance or analyte segment transformation, to capture sample-specific transitions between background and analyte. While referring to qualitative properties of PTFE background, the goal of smoothing splines interpolation is to learn the baseline structure in the background region to predict the baseline structure in the analyte region. We then validate the model by comparing smoothing splines baseline-corrected spectra with uncorrected and polynomial baseline (PB)-corrected equivalents via three statistical applications: (1) clustering analysis, (2) functional group quantification

Ultrafast stimulated Raman spectroscopy in the near-infrared region

International Nuclear Information System (INIS)

Takaya, Tomohisa

2016-01-01

A number of electronic transitions in the near-infrared wavelength region are associated with migration or delocalization of electrons in large molecules or molecular systems. Time-resolved near-infrared Raman spectroscopy will be a powerful tool for investigating the structural dynamic of samples with delocalized electrons. However, the sensitivity of near-infrared spontaneous Raman spectrometers is significantly low due to an extremely small probability of Raman scattering and a low sensitivity of near-infrared detectors. Nonlinear Raman spectroscopy is one of the techniques that can overcome the sensitivity problems and enable us to obtain time-resolved Raman spectra in resonance with near-IR transitions. In this article, the author introduces recent progress of ultrafast time-resolved near-infrared stimulated Raman spectroscopy. Optical setup, spectral and temporal resolution, and applications of the spectrometer are described. (author)

Monitoring breast cancer treatment using a Fourier transform infrared spectroscopy-based computational model.

Science.gov (United States)

Depciuch, J; Kaznowska, E; Golowski, S; Koziorowska, A; Zawlik, I; Cholewa, M; Szmuc, K; Cebulski, J

2017-09-05

Breast cancer affects one in four women, therefore, the search for new diagnostic technologies and therapeutic approaches is of critical importance. This involves the development of diagnostic tools to facilitate the detection of cancer cells, which is useful for assessing the efficacy of cancer therapies. One of the major challenges for chemotherapy is the lack of tools to monitor efficacy during the course of treatment. Vibrational spectroscopy appears to be a promising tool for such a purpose, as it yields Fourier transformation infrared (FTIR) spectra which can be used to provide information on the chemical composition of the tissue. Previous research by our group has demonstrated significant differences between the infrared spectra of healthy, cancerous and post-chemotherapy breast tissue. Furthermore, the results obtained for three extreme patient cases revealed that the infrared spectra of post-chemotherapy breast tissue closely resembles that of healthy breast tissue when chemotherapy is effective (i.e., a good therapeutic response is achieved), or that of cancerous breast tissue when chemotherapy is ineffective. In the current study, we compared the infrared spectra of healthy, cancerous and post-chemotherapy breast tissue. Characteristic parameters were designated for the obtained spectra, spreading the function of absorbance using the Kramers-Kronig transformation and the best fit procedure to obtain Lorentz functions, which represent components of the bands. The Lorentz function parameters were used to develop a physics-based computational model to verify the efficacy of a given chemotherapy protocol in a given case. The results obtained using this model reflected the actual patient data retrieved from medical records (health improvement or no improvement). Therefore, we propose this model as a useful tool for monitoring the efficacy of chemotherapy in patients with breast cancer. Copyright © 2017 Elsevier B.V. All rights reserved.

Spectral Irradiance Calibration in the Infrared. XVI. Improved Accuracy in the Infrared Spectra of the Secondary and Tertiary Standard Calibration Stars

Science.gov (United States)

2006-10-01

resolution ( AlA ). -, 400) spectroscopy obtained on infrared standard stars by the Short Wavelength Spectrometer on the Infrared Space Observatory with high...1995): 2.1-2.4 pm Strecker et al. (1979): 1.22-2.4 pm 6 See http://vizier.hia.nrc.ca/viz-bin/VizieR. REFERENCES Alonso, A., Salaris, M., Arribas , S...Haddock, D. J., Arribas , S., Leggett, S. K., & Mountain, C. M. 1988, A&AS, 74, 127

[Near infrared spectroscopy study on water content in turbine oil].

Science.gov (United States)

Chen, Bin; Liu, Ge; Zhang, Xian-Ming

2013-11-01

Near infrared (NIR) spectroscopy combined with successive projections algorithm (SPA) was investigated for determination of water content in turbine oil. Through the 57 samples of different water content in turbine oil scanned applying near infrared (NIR) spectroscopy, with the water content in the turbine oil of 0-0.156%, different pretreatment methods such as the original spectra, first derivative spectra and differential polynomial least squares fitting algorithm Savitzky-Golay (SG), and successive projections algorithm (SPA) were applied for the extraction of effective wavelengths, the correlation coefficient (R) and root mean square error (RMSE) were used as the model evaluation indices, accordingly water content in turbine oil was investigated. The results indicated that the original spectra with different water content in turbine oil were pretreated by the performance of first derivative + SG pretreatments, then the selected effective wavelengths were used as the inputs of least square support vector machine (LS-SVM). A total of 16 variables selected by SPA were employed to construct the model of SPA and least square support vector machine (SPA-LS-SVM). There is 9 as The correlation coefficient was 0.975 9 and the root of mean square error of validation set was 2.655 8 x 10(-3) using the model, and it is feasible to determine the water content in oil using near infrared spectroscopy and SPA-LS-SVM, and an excellent prediction precision was obtained. This study supplied a new and alternative approach to the further application of near infrared spectroscopy in on-line monitoring of contamination such as water content in oil.

Mid-infrared interferometric variability of DG Tauri: Implications for the inner-disk structure

Science.gov (United States)

Varga, J.; Gabányi, K. É.; Ábrahám, P.; Chen, L.; Kóspál, Á.; Menu, J.; Ratzka, Th.; van Boekel, R.; Dullemond, C. P.; Henning, Th.; Jaffe, W.; Juhász, A.; Moór, A.; Mosoni, L.; Sipos, N.

2017-08-01

Context. DG Tau is a low-mass pre-main sequence star, whose strongly accreting protoplanetary disk exhibits a so-far enigmatic behavior: its mid-infrared thermal emission is strongly time-variable, even turning the 10 μm silicate feature from emission to absorption temporarily. Aims: We look for the reason for the spectral variability at high spatial resolution and at multiple epochs. Methods: Infrared interferometry can spatially resolve the thermal emission of the circumstellar disk, also giving information about dust processing. We study the temporal variability of the mid-infrared interferometric signal, observed with the VLTI/MIDI instrument at six epochs between 2011 and 2014. We fit a geometric disk model to the observed interferometric signal to obtain spatial information about the disk. We also model the mid-infrared spectra by template fitting to characterize the profile and time dependence of the silicate emission. We use physically motivated radiative transfer modeling to interpret the mid-infrared interferometric spectra. Results: The inner disk (r 1-3 au) spectra show a crystalline silicate feature in emission, similar to the spectra of comet Hale-Bopp. The striking difference between the inner and outer disk spectral feature is highly unusual among T Tauri stars. The mid-infrared variability is dominated by the outer disk. The strength of the silicate feature changed by more than a factor of two. Between 2011 and 2014 the half-light radius of the mid-infrared-emitting region decreased from 1.15 to 0.7 au. Conclusions: For the origin of the absorption we discuss four possible explanations: a cold obscuring envelope, an accretion heated inner disk, a temperature inversion on the disk surface and a misaligned inner geometry. The silicate emission in the outer disk can be explained by dusty material high above the disk plane, whose mass can change with time, possibly due to turbulence in the disk. Based on observations made with the ESO Very Large

A spectroscopic comparison of selected Chinese kaolinite, coal bearing kaolinite and halloysite--a mid-infrared and near-infrared study.

Science.gov (United States)

Cheng, Hongfei; Yang, Jing; Liu, Qinfu; Zhang, Jinshan; Frost, Ray L

2010-11-01

Mid-infrared (MIR) and near-infrared (NIR) spectroscopy have been compared and evaluated for differentiating kaolinite, coal bearing kaolinite and halloysite. Kaolinite, coal bearing kaolinite and halloysite are the three relative abundant minerals of the kaolin group, especially in China. In the MIR spectra, the differences are shown in the 3000-3600 cm⁻¹ between kaolinite and halloysite. It cannot obviously differentiate the kaolinite and halloysite, leaving alone kaolinite and coal bearing kaolinite. However, NIR, together with MIR, gives us the sufficient evidence to differentiate the kaolinite and halloysite, especially kaolinite and coal bearing kaolinite. There are obvious differences between kaolinite and halloysite in all range of their spectra, and they also show some difference between kaolinite and coal bearing kaolinite. Therefore, the reproducibility of measurement, signal to noise ratio and richness of qualitative information should be simultaneously considered for proper selection of a spectroscopic method for mineral analysis. Copyright © 2010 Elsevier B.V. All rights reserved.

Comparison of XH2O Retrieved from GOSAT Short-Wavelength Infrared Spectra with Observations from the TCCON Network

Directory of Open Access Journals (Sweden)

Eric Dupuy

2016-05-01

Full Text Available Understanding the atmospheric distribution of water (H 2 O is crucial for global warming studies and climate change mitigation. In this context, reliable satellite data are extremely valuable for their global and continuous coverage, once their quality has been assessed. Short-wavelength infrared spectra are acquired by the Thermal And Near-infrared Sensor for carbon Observation-Fourier Transform Spectrometer (TANSO-FTS aboard the Greenhouse gases Observing Satellite (GOSAT. From these, column-averaged dry-air mole fractions of carbon dioxide, methane and water vapor (XH 2 O have been retrieved at the National Institute for Environmental Studies (NIES, Japan and are available as a Level 2 research product. We compare the NIES XH 2 O data, Version 02.21, with retrievals from the ground-based Total Carbon Column Observing Network (TCCON, Version GGG2014. The datasets are in good overall agreement, with GOSAT data showing a slight global low bias of −3.1% ± 24.0%, good consistency over different locations (station bias of −1.53% ± 10.35% and reasonable correlation with TCCON (R = 0.89. We identified two potential sources of discrepancy between the NIES and TCCON retrievals over land. While the TCCON XH 2 O amounts can reach 6000–7000 ppm when the atmospheric water content is high, the correlated NIES values do not exceed 5500 ppm. This could be due to a dry bias of TANSO-FTS in situations of high humidity and aerosol content. We also determined that the GOSAT-TCCON differences directly depend on the altitude difference between the TANSO-FTS footprint and the TCCON site. Further analysis will account for these biases, but the NIES V02.21 XH 2 O product, after public release, can already be useful for water cycle studies.

Infrared spectroscopy of different phosphates structures.

Science.gov (United States)

Jastrzębski, W; Sitarz, M; Rokita, M; Bułat, K

2011-08-15

Infrared (IR) spectroscopic studies of mineral and synthetic phosphates have been presented. The interpretation of the spectra has been preceded by the isolated [PO(4)](3-) tetrahedron spectra analyse. The K(3)PO(4) saturated aqueous solution was measured in the special cell for liquids. The obtained IR results have been compared with the theoretical number of IR-active modes. The number and positions of the bands due to P-O vibrations have been established. The phase composition of the phosphates has been determined using XRD and IR spectroscopy methods. The influence of non-tetrahedral cations on the shape of the spectra and the positions of bands has been analysed and the crystalline field splitting effect has been discussed. Copyright © 2010 Elsevier B.V. All rights reserved.

NanoComposite Polymers for High Resolution Near Infrared Detectors

Data.gov (United States)

National Aeronautics and Space Administration — Develop nanocomposite materials with tuned refractive index in the near infra red spectral range as an index-matched immersion lens for high resolution infra-red...

The nature of cometary dust as determined from infrared observations

Science.gov (United States)

Swamy, K. S. Krishna; Sandford, Scott A.; Allamandola, Louis J.; Witteborn, Fred C.; Bregman, Jesse D.

1989-01-01

The infrared measurements of comets, the compositional information available from interplanetary dust particles (IDPs), and the recent results of flybys to Comet Halley can help in restricting the nature and composition of cometary dust models (c.f., Proceedings of the 20th ESLAB Symposium on Exploration of Halley's Comet, 1986). Researchers tried to incorporate some of these results into a coherent model to account for the observed cometary infrared emission. The presence of 10 and 3.4 micron features in Comet Halley (c.f. Bregman et al. 1987; Wickramasinghe and Allen 1986) indicated the presence of at least two components in the grain material, namely silicates and some form of amorphous carbon. These two components could reside in separate grains or may be parts of composite particles. Both these cases have been considered (see Krishna Swamy el a. 1988a, 1988b). In the absence of refractive index data for cometary analogs, the authors used the optical constants of olivine-rich lunar material 12009.48 (Perry et al. 1972) for the infrared region and that of alpha:C-H film for amorphous carbon (angus et al. 1986). For the visible region, a value of m = 1.38-0.39i was used for the silicates, and values published by Arakawa et al. (1985) were used for the amorphous carbon. These materials should give a representative behavior of the expected results. The model results were compared to observational data. The strength of the 3.4 micron and 10 micron features relative to the adjacent continuum, as well as the slope of the continuum between 2500 and 1250 cm(exp -1) (4 to 8 microns), were used as criteria for comparison. Model calculations with alpha approx. equals -3.5, and also the size distribution function inferred for Comet Halley, with a mass fraction (X) of silicate to amorphous carbon grains of about 40 to 1 can fit the data. A good match is obtained for the infrared spectra of Comets Halley and West from a 40 to 1 mixture of silicate and amorphous carbon grains

Preparation and infrared spectra of the Schiff base solid complexes [UO2(sal-O-phdn)(H2O)] and [UO2(sal-O-phdn) (Et3N)] (sal-O-phdn=n, n'-o-phenylenebissalicylideniminato)

International Nuclear Information System (INIS)

Sadeek, S.A.; Teleb, S.M.; Al-Kority, A.M.

1993-01-01

In the present communication, we report the preparation of the related two new complexes, [UO 2 (sal-o-phdn)(H 2 O)] and LUO 2 (sal-o-phdn)(Et 3 N)], where sal-o-phdn=N, N'-o-phenylenebis (salicylideneiminato); here U VI is seven-coordinate. The infrared spectra of these two complexes are recorded and assigned. (author). 10 refs., 1 tab

Fourier transform infrared studies in solid egg white lysozyme

International Nuclear Information System (INIS)

Rivzi, T.Z.

1994-12-01

Fourier Transform Infrared (FTIR) Spectroscopy is the most recent addition to the arsenal of bioanalytical techniques capable of providing information about the secondary structure of proteins in a variety of environments. FTIR spectra have been obtained in solid egg white lysozyme. The spectra display the usual amide I, II and III bands. Secondary structural information obtained from the spectra after applying resolution enhancement techniques to the amide I band has been found consistent with the x-ray crystallographic data of the protein and also to the spectroscopic data of the protein in aqueous solution. (author). 17 refs, 6 figs, 2 tabs

Infrared and Raman Spectra of and Isotopomers: A DFT-PT2 Anharmonic Study

Directory of Open Access Journals (Sweden)

Andrea Alparone

2013-01-01

Full Text Available IR and Raman spectra of selenophene and of its perdeuterated isotopomer have been obtained in gas phase through density-functional theory (DFT computations. Vibrational wavenumbers have been calculated using harmonic and anharmonic second-order perturbation theory (PT2 procedures with the B3LYP method and the 6-311 basis set. Anharmonic overtones have been determined by means of the PT2 method. The introduction of anharmonic terms decreases the harmonic wavenumbers, giving a significantly better agreement with the experimental data. The most significant anharmonic effects occur for the C–H and C–D stretching modes, the observed H/D isotopic wavenumber redshifts being satisfactorily reproduced by the PT2 computations within 6–20 cm−1 (1–3%. In the spectral region between 500 cm−1 and 1500 cm−1, the IR spectra are dominated by the out-of-plane C–H (C–D bending transition, whereas the Raman spectra are mainly characterized by a strong peak mainly attributed to the C=C + C–C bonds stretching vibration with the contribution of the in-plane C–H (C–D bending deformation. The current results confirm that the PT2 approach combined with the B3LYP/6-311 level of calculation is a satisfactory choice for predicting vibrational spectra of cyclic molecules.

Investigating the optical modes of InxGa1xN alloy and In0.5Ga0.5N/GaN MQW in far-infrared reflectivity spectra

International Nuclear Information System (INIS)

Mirjalili, G.; Amraei, R.

2006-01-01

Optical properties of In x Ga 1 x N alloy and In 0 .5Ga 0 .5N/GaN multi quantum wells have been investigated in the region of far infrared. Far-IR reflectivity spectra of In 0 .5Ga 0 .5N/GaN multi quantum wells on GaAs substrate have been obtained by oblique incidence p- and s- polarization light using effective medium approximation. The spectra and the dielectric functions response give a good information about the phonon and plasmon contribution in doped MQW as well as the mole fraction of compounds in the alloys. The changes in position of optical modes are good tools for measurement of the amount of free carrier and the amount of mole fraction in the samples. During study of In x Ga 1 x N reflectivity spectra, two distinct reststrahl bands with frequency near those of pure InN and GaN were observed over entire composition range. Each band shifts to lower frequencies and decreases in amplitude as the concentration of corresponding compound in alloy decreased. Analysis of dielectric function gives the TO-like and LO-like mode frequencies. The changes in LO mode frequencies, due to coupling of phonon-plasmon, have been observed

Eigenvalue-dependent neutron energy spectra: Definitions, analyses, and applications

International Nuclear Information System (INIS)

Cacuci, D.G.; Ronen, Y.; Shayer, Z.; Wagschal, J.J.; Yeivin, Y.

1982-01-01

A general qualitative analysis of spectral effects that arise from solving the kappa-, α-, γ-, and sigma-eigenvalue formulations of the neutron transport equation for nuclear systems that deviate (to first order) from criticality is presented. Hierarchies of neutron spectra softness are established and expressed concisely in terms of the newly introduced spatialdependent local spectral indices for the core and for the reflector. It is shown that each hierarchy is preserved, regardless of the nature of the specific physical mechanism that cause the system to deviate from criticality. Qualitative conclusions regarding the general behavior of the spectrum-dependent integral spectral indices and ICRs corresponding to the kappa-, α-, γ-, and sigma-eigenvalue formalisms are also presented. By defining spectral indices separately for the core and for the reflector, it is possible to account for the characteristics of neutron spectra in both the core and the reflector. The distinctions between the spectra in the core and in the reflector could not have been accounted for by using a single type of spectral index (e.g., a spectral index for the entire system or a spectral index solely for the core)

Power-law to Power-law Mapping of Blazar Spectra from Intergalactic Absorption

International Nuclear Information System (INIS)

Stecker, F W; Scully, S T

2007-01-01

We have derived a useful analytic approximation for determining the effect of intergalactic absorption on the γ-ray spectra of TeV blazars the energy range 0.2 TeV γ γ ) is approximately logarithmic. The effect of this energy dependence is to steepen intrinsic source spectra such that a source with an approximate power-law spectral index Γ s is converted to one with an observed spectral index Γ o ≅ Γ s + ΔΓ(z) where ΔΓ(z) is a linear function of z in the redshift range 0.05-0.4. We apply this approximation to the spectra of 7 TeV blazars

Polarised IR-microscope spectra of guanidinium hydrogensulphate single crystal.

Science.gov (United States)

Drozd, M; Baran, J

2006-07-01

Polarised IR-microscope spectra of C(NH(2))(3)*HSO(4) small single crystal samples were measured at room temperature. The spectra are discussed on the basis of oriented gas model approximation and group theory. The stretching nuOH vibration of the hydrogen bond with the Ocdots, three dots, centeredO distance of 2.603A gives characteristic broad AB-type absorption in the IR spectra. The changes of intensity of the AB bands in function of polariser angle are described. Detailed assignments for bands derived from stretching and bending modes of sulphate anions and guanidinium cations were performed. The observed intensities of these bands in polarised infrared spectra were correlated with theoretical calculation of directional cosines of selected transition dipole moments for investigated crystal. The vibrational studies seem to be helpful in understanding of physical and chemical properties of described compound and also in design of new complexes with exactly defined behaviors.

Polarized IR-microscope spectra of guanidinium hydrogenselenate single crystal.

Science.gov (United States)

Drozd, M; Baran, J

2005-10-01

The polarized IR-microscope spectra of C(NH2)3.HSeO4 small single crystal samples were measured at room temperature. The spectra are discussed with the framework of oriented gas model approximation and group theory. The stretching nuOH vibration of the hydrogen bond with the O...O distance of 2.616 A gives characteristic broad AB-type absorption in the IR spectra. The changes of intensity of the AB bands in function of polarizer angle are described. Detailed assignment for bands derived from stretching and bending modes of selenate anions and guanidinium cations were performed. The observed intensities of these bands in polarized infrared spectra were correlated with theoretical calculation of directional cosines of selected transition dipole moments for investigated crystal. The vibrational studies seem to be helpful in understanding of physical and chemical properties of described compound and also in design of new complexes with exactly defined behaviors.

Structure Determination of Anionic Metal Clusters via Infrared Resonance Enhanced Multiple Photon Electron Detachment Spectroscopy

NARCIS (Netherlands)

Haertelt, M.; Lapoutre, V. J. F.; Bakker, J. M.; Redlich, B.; Harding, D. J.; Fielicke, A.; Meijer, G.

2011-01-01

We report vibrational spectra of anionic metal clusters, measured via electron detachment following resonant absorption of multiple infrared photons. To facilitate the sequential absorption of the required large number of photons, the cluster beam interacts with the infrared radiation inside the

0.7–2.5 μ m Spectra of Hilda Asteroids

International Nuclear Information System (INIS)

Wong, Ian; Brown, Michael E.; Emery, Joshua P.

2017-01-01

The Hilda asteroids are primitive bodies in resonance with Jupiter whose origin and physical properties are not well understood. Current models posit that these asteroids formed in the outer solar system and were scattered along with the Jupiter Trojans into their present-day positions during a chaotic episode of dynamical restructuring. In order to explore the surface composition of these enigmatic objects in comparison with an analogous study of Trojans, we present new near-infrared spectra (0.7–2.5 μ m) of 25 Hilda asteroids. No discernible absorption features are apparent in the data. Synthesizing the bimodalities in optical color and infrared reflectivity reported in previous studies, we classify 26 of the 28 Hildas in our spectral sample into the so-called less-red and red sub-populations and find that the two sub-populations have distinct average spectral shapes. Combining our results with visible spectra, we find that Trojans and Hildas possess similar overall spectral shapes, suggesting that the two minor body populations share a common progenitor population. A more detailed examination reveals that while the red Trojans and Hildas have nearly identical spectra, less-red Hildas are systematically bluer in the visible and redder in the near-infrared than less-red Trojans, indicating a putative broad, shallow absorption feature between 0.5 and 1.0  μ m. We argue that the less-red and red objects found in both Hildas and Trojans represent two distinct surface chemistries and attribute the small discrepancy between less-red Hildas and Trojans to the difference in surface temperatures between the two regions.

0.7–2.5 μ m Spectra of Hilda Asteroids

Energy Technology Data Exchange (ETDEWEB)

Wong, Ian; Brown, Michael E. [Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA 91125 (United States); Emery, Joshua P., E-mail: iwong@caltech.edu [Earth and Planetary Science Department and Planetary Geosciences Institute, University of Tennessee, Knoxville, TN 37996 (United States)

2017-09-01

The Hilda asteroids are primitive bodies in resonance with Jupiter whose origin and physical properties are not well understood. Current models posit that these asteroids formed in the outer solar system and were scattered along with the Jupiter Trojans into their present-day positions during a chaotic episode of dynamical restructuring. In order to explore the surface composition of these enigmatic objects in comparison with an analogous study of Trojans, we present new near-infrared spectra (0.7–2.5 μ m) of 25 Hilda asteroids. No discernible absorption features are apparent in the data. Synthesizing the bimodalities in optical color and infrared reflectivity reported in previous studies, we classify 26 of the 28 Hildas in our spectral sample into the so-called less-red and red sub-populations and find that the two sub-populations have distinct average spectral shapes. Combining our results with visible spectra, we find that Trojans and Hildas possess similar overall spectral shapes, suggesting that the two minor body populations share a common progenitor population. A more detailed examination reveals that while the red Trojans and Hildas have nearly identical spectra, less-red Hildas are systematically bluer in the visible and redder in the near-infrared than less-red Trojans, indicating a putative broad, shallow absorption feature between 0.5 and 1.0  μ m. We argue that the less-red and red objects found in both Hildas and Trojans represent two distinct surface chemistries and attribute the small discrepancy between less-red Hildas and Trojans to the difference in surface temperatures between the two regions.

Nanoscale Infrared Spectroscopy of Biopolymeric Materials

Science.gov (United States)

Curtis Marcott; Michael Lo; Kevin Kjoller; Craig Prater; Roshan Shetty; Joseph Jakes; Isao Noda

2012-01-01

Atomic Force Microscopy (AFM) and infrared (IR) spectroscopy have been combined in a single instrument capable of producing 100 nm spatial resolution IR spectra and images. This new capability enables the spectroscopic characterization of biomaterial domains at levels not previously possible. A tunable IR laser source generating pulses on the order of 10 ns was used...

Library search with regular reflectance IR spectra

International Nuclear Information System (INIS)

Staat, H.; Korte, E.H.; Lampen, P.

1989-01-01

Characterisation in situ for coatings and other surface layers is generally favourable, but a prerequisite for precious items such as art objects. In infrared spectroscopy only reflection techniques are applicable here. However for attenuated total reflection (ATR) it is difficult to obtain the necessary optical contact of the crystal with the sample, when the latter is not perfectly plane or flexible. The measurement of diffuse reflectance demands a scattering sample and usually the reflectance is very poor. Therefore in most cases one is left with regular reflectance. Such spectra consist of dispersion-like feature instead of bands impeding their interpretation in the way the analyst is used to. Furthermore for computer search in common spectral libraries compiled from transmittance or absorbance spectra a transformation of the reflectance spectra is needed. The correct conversion is based on the Kramers-Kronig transformation. This somewhat time - consuming procedure can be speeded up by using appropriate approximations. A coarser conversion may be obtained from the first derivative of the reflectance spectrum which resembles the second derivative of a transmittance spectrum. The resulting distorted spectra can still be used successfully for the search in peak table libraries. Experiences with both transformations are presented. (author)

HIGH RESOLUTION OPTICAL AND NIR SPECTRA OF HBC 722

Energy Technology Data Exchange (ETDEWEB)

Lee, Jeong-Eun; Park, Sunkyung [School of Space Research, Kyung Hee University, 1732 Deogyeong-daero, Giheung-gu, Yongin-si, Gyeonggi-do 446-701 (Korea, Republic of); Green, Joel D.; Cochran, William D. [Department of Astronomy, University of Texas at Austin, TX (United States); Kang, Wonseok; Lee, Sang-Gak [National Youth Space Center, 200 Deokheungyangjjok-gil, Dongil-myeon, Goheung-gun, Jeollanam-do 548-951 (Korea, Republic of); Sung, Hyun-Il, E-mail: jeongeun.lee@khu.ac.kr, E-mail: sunkyung@khu.ac.kr, E-mail: joel@astro.as.utexas.edu, E-mail: wdc@astro.as.utexas.edu, E-mail: wskang@kywa.or.kr, E-mail: sanggak@kywa.or.kr, E-mail: hisung@kasi.re.kr [Korea Astronomy and Space Science Institute, 776 Daedeok-daero, Yuseong-gu, Daejeon 305-348 (Korea, Republic of)

2015-07-01

We present the results of high resolution (R ≥ 30,000) optical and near-IR spectroscopic monitoring observations of HBC 722, a recent FU Orionis object that underwent an accretion burst in 2010. We observed HBC 722 in the optical/near-IR with the Bohyunsan Optical Echelle Spectrograph, Hobby–Eberly Telescope-HRS, and Immersion Grating Infrared Spectrograph, at various points in the outburst. We found atomic lines with strongly blueshifted absorption features or P Cygni profiles, both evidence of a wind driven by the accretion. Some lines show a broad double-peaked absorption feature, evidence of disk rotation. However, the wind-driven and disk-driven spectroscopic features are anti-correlated in time; the disk features became strong as the wind features disappeared. This anti-correlation might indicate that the rebuilding of the inner disk was interrupted by the wind pressure during the first 2 years. The half-width at half-depth of the double-peaked profiles decreases with wavelength, indicative of the Keplerian rotation; the optical spectra with the disk feature are fitted by a G5 template stellar spectrum convolved with a rotation velocity of 70 km s{sup −1} while the near-IR disk features are fitted by a K5 template stellar spectrum convolved with a rotation velocity of 50 km s{sup −1}. Therefore, the optical and near-IR spectra seem to trace the disk at 39 and 76 R{sub ⊙}, respectively. We fit a power-law temperature distribution in the disk, finding an index of 0.8, comparable to optically thick accretion disk models.

Diffuse Reflectance Spectroscopy of Hidden Objects, Part I: Interpretation of the Reflection-Absorption-Scattering Fractions in Near-Infrared (NIR) Spectra of Polyethylene Films.

Science.gov (United States)

Pomerantsev, Alexey L; Rodionova, Oxana Ye; Skvortsov, Alexej N

2017-08-01

Investigation of a sample covered by an interfering layer is required in many fields, e.g., for process control, biochemical analysis, and many other applications. This study is based on the analysis of spectra collected by near-infrared (NIR) diffuse reflectance spectroscopy. Each spectrum is a composition of a useful, target spectrum and a spectrum of an interfering layer. To recover the target spectrum, we suggest using a new phenomenological approach, which employs the multivariate curve resolution (MCR) method. In general terms, the problem is very complex. We start with a specific problem of analyzing a system, which consists of several layers of polyethylene (PE) film and underlayer samples with known spectral properties. To separate information originating from PE layers and the target, we modify the system versus both the number of the PE layers as well as the reflectance properties of the target sample. We consider that the interfering spectrum of the layer can be modeled using three components, which can be tentatively called transmission, absorption, and scattering contributions. The novelty of our approach is that we do not remove the reflectance and scattering effects from the spectra, but study them in detail aiming to use this information to recover the target spectrum.

Development of new index for forest fire risk using satellite images in Indonesia through the direct spectral measurements of soil

Science.gov (United States)

Hashimoto, A.; Akita, M.; Takahashi, Y.; Suzuki, H.; Hasegawa, Y.; Ogino, Y.; Naruse, N.; Takahashi, Y.

2016-12-01

In recent years, the smoke caused by the forest fires in Indonesia has become a serious problem. Most of the land in Indonesia is covered with peat moss, which occurs the expanding of fires due to the burning itself. Thus, the surface soil water, reflecting the amount of precipitation in the area, can become the indication of the risk of fires. This study aims to develop a new index reflecting the risk of forest fires in Indonesia using satellite remote sensing through the direct spectral measurements of peat moss soil.We have prepared the peat moss in 7 steps of soil water content measured at an accuracy of ±15 percent (Field pro, WD-3). We obtained spectra between 400nm and 1050nm (Source: halogen lamp, spectroscope: self-made space time, spectral analysis kit) from the peat moss.The obtained spectra show the difference from the previous spectral measurement for the soil in various water content. There are the features, especially, in the wavelength range of ultraviolet (400-450nm) and infrared (530-800nm) as shown in the figure; the more the soil water increases, the lower the reflectance becomes. We have developed a new index using the New deep blue band (433 453nm and NIR band 845 885nm of Landsat 8. The resulting satellite images calculated by our original index appears to reflect the risk of forest fires rather than well-known indices such as Normalized Difference Water Index and Normalized difference Soil Index.In conclusion, we have created a new index that highly reflects to the degree of soil water of a peat soil in Indonesia.

Infrared Absorption by Atmospheric Aerosols in Mexico City during MILAGRO.

Science.gov (United States)

Kelley, K. L.; Mangu, A.; Gaffney, J. S.; Marley, N. A.

2007-12-01

found as colloidal materials in surface and groundwaters (4). Examples of the IR spectra obtained and variance as a function of time at the two sites will be presented. The spectra are taken in Kubelka - Munk format, which also allows the infrared absorption strengths to be evaluated as function of wavelength. The wavelength dependence of the aerosol complex refractive index (m = n + ik) in the infrared spectral region is determined by application of the Kramers Kronig function. The importance of the aerosol absorption in the infrared spectral region to radiative forcing will be discussed. 1. N.A. Marley, J.S. Gaffney, and M.M. Cunningham,Environ. Sci. Technol. 27 2864-2869 (1993). 2. N.A. Marley, J.S. Gaffney, and M.M. Cunningham, Spectroscopy 7 44-53 (1992). 3. J.S. Gaffney and N.A. Marley, Atmospheric Environment, New Directions contribution, 32, 2873-2874 (1998). 4. N.A. Marley, J.S. Gaffney, and K.A. Orlandini, Chapter 7 in Humic/Fulvic Acids and Organic Colloidal Materials in the Environment, ACS Symposium Series 651, American Chemical Society, Washington, D.C., pp. 96-107, 1996. This work was performed as part of the Department of Energy's Megacity Aerosol Experiment - Mexico City (MAX- Mex) under the support of the Atmospheric Science Program. This research was supported by the Office of Science (BER), U.S. Department of Energy, Grant No. DE-FG02-07ER64328.

Structural properties of maize hybrids established by infrared spectra

Directory of Open Access Journals (Sweden)

Radenović Čedomir N.

2015-01-01

Full Text Available This paper discusses the application of the infrared (IR spectroscopy method for determination of structural properties of maize hybrid grains. The IR spectrum of maize grain has been registered in the following hybrids: ZP 341, ZP 434 and ZP 505. The existence of spectral bands varying in both number and intensity, as well as their shape, frequency and kinetics have been determined. They have been determined by valence oscillations and deformation oscillations of the following organic compounds: alkanes, alkenes, alkynes, amides, alcohols, ethers, carboxylic acids, esters and aldehydes and ketones, characteristic for biogenic compounds such as carbohydrates, proteins and lipids. In this way, possible changes in the grain structure of observed maize hybrids could be detected.

A QUANTUM BAND MODEL OF THE ν3 FUNDAMENTAL OF METHANOL (CH3OH) AND ITS APPLICATION TO FLUORESCENCE SPECTRA OF COMETS

International Nuclear Information System (INIS)

Villanueva, G. L.; DiSanti, M. A.; Mumma, M. J.; Xu, L.-H.

2012-01-01

Methanol (CH 3 OH) radiates efficiently at infrared wavelengths, dominating the C-H stretching region in comets, yet inadequate quantum-mechanical models have imposed limits on the practical use of its emission spectra. Accordingly, we constructed a new line-by-line model for the ν 3 fundamental band of methanol at 2844 cm –1 (3.52 μm) and applied it to interpret cometary fluorescence spectra. The new model permits accurate synthesis of line-by-line spectra for a wide range of rotational temperatures, ranging from 10 K to more than 400 K. We validated the model by comparing simulations of CH 3 OH fluorescent emission with measured spectra of three comets (C/2001 A2 LINEAR, C/2004 Q2 Machholz and 8P/Tuttle) acquired with high-resolution infrared spectrometers at high-altitude sites. The new model accurately describes the complex emission spectrum of the ν 3 band, providing distinct rotational temperatures and production rates at greatly improved confidence levels compared with results derived from earlier fluorescence models. The new model reconciles production rates measured at infrared and radio wavelengths in C/2001 A2 (LINEAR). Methanol can now be quantified with unprecedented precision and accuracy in astrophysical sources through high-dispersion spectroscopy at infrared wavelengths.

A Quantum Band Model of the nu3 Fundamental of Methanol (CH3OH) and Its Application to Fluorcescence Spectra of Comets

Science.gov (United States)

Villanueva, Geronimo L.; DiSanti, M. A.; Mumma, M. J.; Xu, L.-H.

2012-01-01

Methanol (CH3OH) radiates efficiently at infrared wavelengths, dominating the C-H stretching region in comets, yet inadequate quantum-mechanical models have imposed limits on the practical use of its emission spectra. Accordingly, we constructed a new line-by-line model for the 3 fundamental band of methanol at 2844 / cm (3.52 micron) and applied it to interpret cometary fluorescence spectra. The new model permits accurate synthesis of line-by-line spectra for a wide range of rotational temperatures, ranging from 10 K to more than 400 K.We validated the model by comparing simulations of CH3OH fluorescent emission with measured spectra of three comets (C/2001 A2 LINEAR, C/2004 Q2 Machholz and 8P/Tuttle) acquired with high-resolution infrared spectrometers at high-altitude sites. The new model accurately describes the complex emission spectrum of the nu3 band, providing distinct rotational temperatures and production rates at greatly improved confidence levels compared with results derived from earlier fluorescence models. The new model reconciles production rates measured at infrared and radio wavelengths in C/2001 A2 (LINEAR). Methanol can now be quantified with unprecedented precision and accuracy in astrophysical sources through high-dispersion spectroscopy at infrared wavelengths

[Identification of Dendrobium varieties by Fourier transform infrared spectroscopy combined with spectral retrieval].

Science.gov (United States)

Liu, Fei; Wang, Yuan-zhong; Deng, Xing-yan; Jin, Hang; Yang, Chun-yan

2014-06-01

The infrared spectral of stems of 165 trees of 23 Dendrobium varieties were obtained by means of Fourier transform infrared spectroscopy technique. The spectra show that the spectra of all the samples were similar, and the main components of stem of Dendrobium is cellulose. By the spectral professional software Omnic8.0, three spectral databases were constructed. Lib01 includes of the average spectral of the first four trees of every variety, while Lib02 and Lib03 are constructed from the first-derivative spectra and the second-derivative spectra of average spectra, separately. The correlation search, the square difference retrieval and the square differential difference retrieval of the spectra are performed with the spectral database Lib01 in the specified range of 1 800-500 cm(-1), and the yield correct rate of 92.7%, 74.5% and 92.7%, respectively. The square differential difference retrieval of the first-derivative spectra and the second-derivative spectra is carried out with Lib02 and Lib03 in the same specified range 1 800-500 cm(-1), and shows correct rate of 93.9% for the former and 90.3% for the later. The results show that the first-derivative spectral retrieval of square differential difference algorithm is more suitabe for discerning Dendrobium varieties, and FTIR combining with the spectral retrieval method can identify different varieties of Dendrobium, and the correlation retrieval, the square differential retrieval, the first-derivative spectra and second-derivative spectra retrieval in the specified spectral range are effective and simple way of distinguishing different varieties of Dendrobium.

Comparison of FTIR Spectra of Bulk and Acid Residual Organic Matter in Chondrites

Science.gov (United States)

Kebukawa, Y.; Alexander, C. M. O'D.; Cody, G. D.

2013-09-01

We compared infrared spectra of bulk meteorites and IOM. The CH_2/CH_3 ratios show some difference between bulk samples and IOM, but there is no systematic correlation with chondrite groups or petrologic type.

Study by infrared spectroscopy of coordination compounds of some ethers with aluminium chloride and bromide

International Nuclear Information System (INIS)

Derouault, Jean

1968-01-01

After having recalled some thermodynamic aspects related to electron donor-acceptor compounds, this research thesis reports the study of infrared spectra of 1-1R 2 O-AlX 3 complexes in a condensed state (X is either bromine or chlorine). The next part reports the study of infrared spectra of 2-1(R 2 O) 2 -AlX 3 complexes in a condensed state (X is also either bromine or chlorine), and the third part addresses the study of the formation of complexes of aluminium halides with ethers, in a dissolved state

High spectral resolution infrared observations of V1057 Cygni

International Nuclear Information System (INIS)

Hartmann, L.; Kenyon, S.J.

1987-01-01

High-resolution near-infrared spectra of V1057 Cygni obtained in 1986 with the KPNO 4-m Fourier transform spectrometer provide support for a previously proposed accretion disk model. The model predicts that the observed rotational broadening of spectral lines should be smaller in the infrared than in the optical. The present observations show that V1057 Cyg rotates more slowly at 2.3 microns than at 6000 A by an amount quantitatively consistent with the simple disk models. The absence of any radial velocity variations in either the infrared or optical spectral regions supports the suggestion that the accreted material arises from a remnant disk of protostellar material. 19 references

Power-Law Template for Infrared Point-Source Clustering

Science.gov (United States)

Addison, Graeme E; Dunkley, Joanna; Hajian, Amir; Viero, Marco; Bond, J. Richard; Das, Sudeep; Devlin, Mark J.; Halpern, Mark; Hincks, Adam D; Hlozek, Renee;

Spitzer SAGE-Spec: Near infrared spectroscopy, dust shells, and cool envelopes in extreme Large Magellanic Cloud asymptotic giant branch stars

Energy Technology Data Exchange (ETDEWEB)

Blum, R. D. [NOAO, 950 North Cherry Avenue, Tucson, AZ 85719 (United States); Srinivasan, S.; Kemper, F.; Ling, B. [Academia Sinica, Institute of Astronomy and Astrophysics, 11F of Astronomy-Mathematics Building, NTU/AS, No. 1, Sec. 4, Roosevelt Road, Taipei 10617, Taiwan (China); Volk, K. [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States)

2014-11-01

K-band spectra are presented for a sample of 39 Spitzer Infrared Spectrograph (IRS) SAGE-Spec sources in the Large Magellanic Cloud. The spectra exhibit characteristics in very good agreement with their positions in the near-infrared—Spitzer color-magnitude diagrams and their properties as deduced from the Spitzer IRS spectra. Specifically, the near-infrared spectra show strong atomic and molecular features representative of oxygen-rich and carbon-rich asymptotic giant branch stars, respectively. A small subset of stars was chosen from the luminous and red extreme ''tip'' of the color-magnitude diagram. These objects have properties consistent with dusty envelopes but also cool, carbon-rich ''stellar'' cores. Modest amounts of dust mass loss combine with the stellar spectral energy distribution to make these objects appear extreme in their near-infrared and mid-infrared colors. One object in our sample, HV 915, a known post-asymptotic giant branch star of the RV Tau type, exhibits CO 2.3 μm band head emission consistent with previous work that demonstrates that the object has a circumstellar disk.

Spitzer SAGE-Spec: Near infrared spectroscopy, dust shells, and cool envelopes in extreme Large Magellanic Cloud asymptotic giant branch stars

International Nuclear Information System (INIS)

Blum, R. D.; Srinivasan, S.; Kemper, F.; Ling, B.; Volk, K.

2014-01-01

K-band spectra are presented for a sample of 39 Spitzer Infrared Spectrograph (IRS) SAGE-Spec sources in the Large Magellanic Cloud. The spectra exhibit characteristics in very good agreement with their positions in the near-infrared—Spitzer color-magnitude diagrams and their properties as deduced from the Spitzer IRS spectra. Specifically, the near-infrared spectra show strong atomic and molecular features representative of oxygen-rich and carbon-rich asymptotic giant branch stars, respectively. A small subset of stars was chosen from the luminous and red extreme ''tip'' of the color-magnitude diagram. These objects have properties consistent with dusty envelopes but also cool, carbon-rich ''stellar'' cores. Modest amounts of dust mass loss combine with the stellar spectral energy distribution to make these objects appear extreme in their near-infrared and mid-infrared colors. One object in our sample, HV 915, a known post-asymptotic giant branch star of the RV Tau type, exhibits CO 2.3 μm band head emission consistent with previous work that demonstrates that the object has a circumstellar disk.

Mid-infrared and near-infrared spectroscopy for rapid detection of Gardeniae Fructus by a liquid-liquid extraction process.

Science.gov (United States)

Tao, Lingyan; Lin, Zhonglin; Chen, Jiashan; Wu, Yongjiang; Liu, Xuesong

2017-10-25

Gardeniae Fructus is widely used in the pharmaceutical industry, and many studies have confirmed its medical and economic value. In this study, samples collected from different liquid-liquid extraction batches of Gardeniae Fructus were detected by mid-infrared (MIR) and near-infrared (NIR) spectroscopy. Seven analytes, neochlorogenic acid (5-CQA), cryptochlorogenic acid (4-CQA), chlorogenic acid (3-CQA), geniposidic acid (GEA), deacetyl-asperulosidic acid methyl ester (DAAME), genipin-gentiobioside (GGB), and gardenoside (GA), were chosen as quality property indexes of Gardeniae Fructus. The two kinds of spectra were each used to build models by single partial least squares (PLS). Additionally, both spectral data were combined and modeled by multiblock PLS. For single spectroscopy modeling results, NIR had a better prediction for high-concentration analytes (3-CQA, DAAME, GGB, and GA) whereas MIR performed better for low-concentration analytes (5-CQA, 4-CQA, and GEA). The multiblock methodology was found to be better compared to single spectroscopy models for all seven analytes. Specifically, the coefficients of determination (R 2 ) of the NIR, MIR, and multiblock PLS calibration models of all seven components were higher than 0.95. Relative standard errors of prediction (RSEP) were all less than 7%, except for models of GGB, which were 10.36%, 13.24%, and 8.15% for the NIR-PLS, MIR-PLS, and multiblock models, respectively. These results indicate that MIR and NIR spectrographic techniques could provide a new choice for quality control in industrial production of Gardeniae Fructus. Copyright © 2017 Elsevier B.V. All rights reserved.

Fourier transform infrared imaging and infrared fiber optic probe spectroscopy identify collagen type in connective tissues.

Directory of Open Access Journals (Sweden)

Arash Hanifi

Full Text Available Hyaline cartilage and mechanically inferior fibrocartilage consisting of mixed collagen types are frequently found together in repairing articular cartilage. The present study seeks to develop methodology to identify collagen type and other tissue components using Fourier transform infrared (FTIR spectral evaluation of matrix composition in combination with multivariate analyses. FTIR spectra of the primary molecular components of repair cartilage, types I and II collagen, and aggrecan, were used to develop multivariate spectral models for discrimination of the matrix components of the tissues of interest. Infrared imaging data were collected from bovine bone, tendon, normal cartilage, meniscus and human repair cartilage tissues, and composition predicted using partial least squares analyses. Histology and immunohistochemistry results were used as standards for validation. Infrared fiber optic probe spectral data were also obtained from meniscus (a tissue with mixed collagen types to evaluate the potential of this method for identification of collagen type in a minimally-invasive clinical application. Concentration profiles of the tissue components obtained from multivariate analysis were in excellent agreement with histology and immunohistochemistry results. Bone and tendon showed a uniform distribution of predominantly type I collagen through the tissue. Normal cartilage showed a distribution of type II collagen and proteoglycan similar to the known composition, while in repair cartilage, the spectral distribution of both types I and II collagen were similar to that observed via immunohistochemistry. Using the probe, the outer and inner regions of the meniscus were shown to be primarily composed of type I and II collagen, respectively, in accordance with immunohistochemistry data. In summary, multivariate analysis of infrared spectra can indeed be used to differentiate collagen type I and type II, even in the presence of proteoglycan, in

The infrared properties of reusable surface insulations.

Science.gov (United States)

Schmitt, R. J.; Linford, R. M. F.; Dillow, C. F.; Hughes, T. A.

1973-01-01

The total infrared scattering and absorption cross sections of both flexible and rigidized high temperature fibrous insulations have been measured. The methods for accomplishing these measurements are described. Infrared reflection and transmission spectra were obtained to study the dependence of the total cross sections on the spectral characteristics of the transported radiation. These results are applied to steady-state effective thermal conductivity measurements via a four-flux model of radiative heat transfer to separate the radiative component and to calculate the effective thermal conductivity under transient heating conditions. Data for both silica and mullite fibers are presented.

Classifying galaxy spectra at 0.5 < z < 1 with self-organizing maps

Science.gov (United States)

Rahmani, S.; Teimoorinia, H.; Barmby, P.

2018-05-01

The spectrum of a galaxy contains information about its physical properties. Classifying spectra using templates helps elucidate the nature of a galaxy's energy sources. In this paper, we investigate the use of self-organizing maps in classifying galaxy spectra against templates. We trained semi-supervised self-organizing map networks using a set of templates covering the wavelength range from far ultraviolet to near infrared. The trained networks were used to classify the spectra of a sample of 142 galaxies with 0.5 K-means clustering, a supervised neural network, and chi-squared minimization. Spectra corresponding to quiescent galaxies were more likely to be classified similarly by all methods while starburst spectra showed more variability. Compared to classification using chi-squared minimization or the supervised neural network, the galaxies classed together by the self-organizing map had more similar spectra. The class ordering provided by the one-dimensional self-organizing maps corresponds to an ordering in physical properties, a potentially important feature for the exploration of large datasets.

Iron oxide bands in the visible and near-infrared reflectance spectra of primitive asteroids

Science.gov (United States)

Jarvis, Kandy S.; Vilas, Faith; Gaffey, Michael J.

1993-01-01

High resolution reflectance spectra of primitive asteroids (C, P, and D class and associated subclasses) have commonly revealed an absorption feature centered at 0.7 microns attributed to an Fe(2+)-Fe(3+) charge transfer transition in iron oxides and/or oxidized iron in phyllosilicates. A smaller feature identified at 0.43 microns has been attributed to an Fe(3+) spin-forbidden transition in iron oxides. In the spectra of the two main-belt primitive asteroids 368 Haidea (D) and 877 Walkure (F), weak absorption features which were centered near the location of 0.60-0.65 microns and 0.80-0.90 microns prompted a search for features at these wavelengths and an attempt to identify their origin(s). The CCD reflectance spectra obtained between 1982-1992 were reviewed for similar absorption features located near these wavelengths. The spectra of asteroids in which these absorption features have been identified are shown. These spectra are plotted in order of increasing heliocentric distance. No division of the asteroids by class has been attempted here (although the absence of these features in the anhydrous S-class asteroids, many of which have presumably undergone full heating and differentiation should be noted). For this study, each spectrum was treated as a continuum with discrete absorption features superimposed on it. For each object, a linear least squares fit to the data points defined a simple linear continuum. The linear continuum was then divided into each spectrum, thus removing the sloped continuum and permitting the intercomparison of residual spectral features.

Using near infrared spectroscopy to classify soybean oil according to expiration date.

Science.gov (United States)

da Costa, Gean Bezerra; Fernandes, David Douglas Sousa; Gomes, Adriano A; de Almeida, Valber Elias; Veras, Germano

2016-04-01

A rapid and non-destructive methodology is proposed for the screening of edible vegetable oils according to conservation state expiration date employing near infrared (NIR) spectroscopy and chemometric tools. A total of fifty samples of soybean vegetable oil, of different brands andlots, were used in this study; these included thirty expired and twenty non-expired samples. The oil oxidation was measured by peroxide index. NIR spectra were employed in raw form and preprocessed by offset baseline correction and Savitzky-Golay derivative procedure, followed by PCA exploratory analysis, which showed that NIR spectra would be suitable for the classification task of soybean oil samples. The classification models were based in SPA-LDA (Linear Discriminant Analysis coupled with Successive Projection Algorithm) and PLS-DA (Discriminant Analysis by Partial Least Squares). The set of samples (50) was partitioned into two groups of training (35 samples: 15 non-expired and 20 expired) and test samples (15 samples 5 non-expired and 10 expired) using sample-selection approaches: (i) Kennard-Stone, (ii) Duplex, and (iii) Random, in order to evaluate the robustness of the models. The obtained results for the independent test set (in terms of correct classification rate) were 96% and 98% for SPA-LDA and PLS-DA, respectively, indicating that the NIR spectra can be used as an alternative to evaluate the degree of oxidation of soybean oil samples. Copyright © 2015 Elsevier Ltd. All rights reserved.

Mid-Infrared Spectral Properties of IR QSOs

International Nuclear Information System (INIS)

Xia, X. Y.; Cao, C.; Mao, S.; Deng, Z. G.

2008-01-01

We analyse mid-infrared (MIR) spectroscopic properties for 19 ultra-luminous infrared quasars (IR QSOs) in the local universe based on the spectra from the Infrared Spectrograph on board the Spitzer Space Telescope. The MIR properties of IR QSOs are compared with those of optically-selected Palomar-Green QSOs (PG QSOs) and ultra-luminous infrared galaxies (ULIRGs). The average MIR spectral features from ∼5 to 30 μm, including the spectral slopes, 6.2 μm PAH emission strengths and [NeII] 12.81 μm luminosities of IR QSOs, differ from those of PG QSOs. In contrast, IR QSOs and ULIRGs have comparable PAH and [NeII] luminosities. These results are consistent with IR QSOs being at a transitional stage from ULIRGs to classical QSOs. We also find the correlation between the EW (PAH 6.2 μm) and outflow velocities suggests that star formation activities are suppressed by feedback from AGNs and/or supernovae.

Alternative interpretation of infrared spectra of the zeolite NaHY and 1-butene system

Energy Technology Data Exchange (ETDEWEB)

Foerster, H.; Seelemann, R.

1979-01-01

A Fourier transform IR study of the adsorption and isomerization of n-butenes on type A zeolites showed an essential similarity of the IR spectra of pure 1-butene absorbed on NaY and NaA zeolites. This led to an interpretation of the IR spectra of 1-butene on NaHY zeolites in terms of the isomerization to the cis- and trans-2-butene, rather than oligomerization on NaY and oligomerization, isomerization, fragmentation, or further side reaction on NaHY, as suggested by Ceckiewicz et al. The temperature-programed desorption measurements at temperatures up to 700/sup 0/K used by Ceckiewicz to analyze IR spectra taken at room temperature seem to be unsuitable for this purpose since subsequent reactions at higher temperatures cannot be ruled out.

[Infrared spectral analysis for calcined borax].

Science.gov (United States)

Zhao, Cui; Ren, Li-Li; Wang, Dong; Zhou, Ping; Zhang, Qian; Wang, Bo-Tao

2011-08-01

To valuate the quality of calcined borax which is sold in the market, 18 samples of calcined borax were studied using the Fourier transform infrared, and samples with different water content were selected and analyzed. Then, the results of analysis were used to evaluate the quality of calcined borax. Results show that the infrared spectra of calcined borax include OH vibration, BO3(-3) vibration and BO4(5-) vibration absorption bands. The position and width of OH vibration absorption band depend on the level of water content, and the more the water content, the wider the absorption band. The number of BO3(3-) vibration and BO4(5-) vibration bands also depend on the level of water content, and the more the water content, and the stronger the hydrogen bond and the lower the symmetry of B atoms, the more the number of infrared absorption peaks. It was concluded that because the quality of calcined borax has direct correlation with water content, the infrared spectroscopy is an express and objective approach to quality analysis and evaluation of calcined borax.

Determining the refractive index of human hemoglobin solutions by Kramers-Kronig relations with an improved absorption model

Science.gov (United States)

Gienger, Jonas; Groß, Hermann; Neukammer, Jörg; Bär, Markus

2016-11-01

The real part of the refractive index (RI) of aqueous solutions of human hemoglobin is computed from their absorption spectra in the wavelength range $250\\,{\\rm nm} - 1100\\,{\\rm nm}$ using the Kramers-Kronig (KK) relations and the corresponding uncertainty analysis is provided. The strong ultraviolet (UV) and infrared absorbance of the water outside this spectral range were taken into account in a previous study employing KK relations. We improve these results by including the concentration dependence of the water absorbance as well as by modeling the deep UV absorbance of hemoglobin's peptide backbone. The two free parameters of the model for the deep UV absorbance are fixed by a global fit.

Fourier transform infrared studies of the N2-O2 binary system

International Nuclear Information System (INIS)

Minenko, M.; Jodi, H.-J.

2006-01-01

Solid solutions (N 2 ) x (O 2 ) 1-x have been investigated by infrared absorption measurements mainly in the O 2 and N 2 stretching regions, between 60-10 K, completing former similar studies by Raman scattering. We produced thermodynamically stable samples by a careful thermal treatment, followed by cooling/heating cycles over weeks, during which we took spectra. From fingerprints in the infrared spectra we deduce phase-transition and solubility lines and suggest a refined, improved T-x % phase diagram in respect to the inconsistencies between those in the literature. The spectra of N 2 -O 2 mixtures are pretty complex, but by referring to known spectra of the pure systems N 2 or O 2 we were able to assign and interpret broad (∼100 cm - 1 ) phonon side bands to fundamentals and an electronic transition (O 2 ), depending on actual temperature and concentration. Narrow features in the spectra ( -1 ) were attributed to the vibron DOS of N 2 or O 2 , whose bandwidth, band shape, and intensity are different and characteristic for each phase. Differences between pure and mixed systems are pointed out. The matrix isolation technique (2 ppm of CO) was used to probe our mixture

INFRARED STUDIES OF HUMAN SALIVA. IDENTIFICATION OF A FACTOR IN HUMAN SALIVA PRODUCING AN INFRARED ABSORBANCE MAXIMUM AT 4.9 MICRONS

Science.gov (United States)

An absorption maximum was observed at 4.9 microns in infrared spectra of human parotid saliva. The factor causing this absorbance was found to be a...nitrate, and heat stability. Thiocyanate was then determined in 16 parotid saliva samples by a spectrophotometric method, which involved formation of

Synegies Between Visible/Near-Infrared Imaging Spectrometry and the Thermal Infrared in an Urban Environment: An Evaluation of the Hyperspectral Infrared Imager (HYSPIRI) Mission

Science.gov (United States)

Roberts, Dar A.; Quattrochi, Dale A.; Hulley, Glynn C.; Hook, Simon J.; Green, Robert O.

2012-01-01

A majority of the human population lives in urban areas and as such, the quality of urban environments is becoming increasingly important to the human population. Furthermore, these areas are major sources of environmental contaminants and sinks of energy and materials. Remote sensing provides an improved understanding of urban areas and their impacts by mapping urban extent, urban composition (vegetation and impervious cover fractions), and urban radiation balance through measures of albedo, emissivity and land surface temperature (LST). Recently, the National Research Council (NRC) completed an assessment of remote sensing needs for the next decade (NRC, 2007), proposing several missions suitable for urban studies, including a visible, near-infrared and shortwave infrared (VSWIR) imaging spectrometer and a multispectral thermal infrared (TIR) instrument called the Hyperspectral Infrared Imagery (HyspIRI). In this talk, we introduce the HyspIRI mission, focusing on potential synergies between VSWIR and TIR data in an urban area. We evaluate potential synergies using an Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) and MODIS-ASTER (MASTER) image pair acquired over Santa Barbara, United States. AVIRIS data were analyzed at their native spatial resolutions (7.5m VSWIR and 15m TIR), and aggregated 60 m spatial resolution similar to HyspIRI. Surface reflectance was calculated using ACORN and a ground reflectance target to remove atmospheric and sensor artifacts. MASTER data were processed to generate estimates of spectral emissivity and LST using Modtran radiative transfer code and the ASTER Temperature Emissivity Separation algorithm. A spectral library of common urban materials, including urban vegetation, roofs and roads was assembled from combined AVIRIS and field-measured reflectance spectra. LST and emissivity were also retrieved from MASTER and reflectance/emissivity spectra for a subset of urban materials were retrieved from co-located MASTER and

Inverse opal photonic crystals with photonic band gaps in the visible and near-infrared

Science.gov (United States)

Jarvis, Brandon C.; Gilleland, Cody L.; Renfro, Tim; Gutierrez, Jose; Parikh, Kunjal; Glosser, R.; Landon, Preston B.

2005-08-01

Colloidal silica spheres with 200nm, 250nm, and 290nm diameters were self-assembled with single crystal crystallites 4-5mm wide and 10-15mm long. Larger spheres with diameters between 1000-2300nm were self-assembled with single crystal crystallites up to 1.5mm wide and 2mm long. The silica opals self-assembled vertically along the [100] direction of the face centered cubic lattice resulting in self-templated opals. Inverse opal photonic crystals with a partial band gap possessing a maximum in the near infrared at 3.8μm were constructed from opal templates composed of 2300nm diameter spheres with chalcogenide Ge33As12Se55 (AMTIR-1), a transparent glass in the near infrared with high refractive index. Inverse gold and gold/ polypropylene composite photonic crystals were fabricated from synthetic opal templates composed of 200-290nm silica spheres. The reflectance spectra and electrical conductance of the resulting structures is presented. Gold was infiltrated into opal templates as gold chloride and heat converted to metallic gold. Opals partially infiltrated with gold were co-infiltrated with polypropylene plastic for mechanical support prior to removal of the silica template with hydrofluoric acid.

Testing the Planet-Metallicity Correlation in M-dwarfs with Gemini GNIRS Spectra

Science.gov (United States)

Hobson, M. J.; Jofré, E.; García, L.; Petrucci, R.; Gómez, M.

2018-04-01

While the planet-metallicity correlation for FGK main-sequence stars hosting giant planets is well established, it is less clear for M-dwarf stars. We determine stellar parameters and metallicities for 16 M-dwarf stars, 11 of which host planets, with near-infrared spectra from the Gemini Near-Infrared Spectrograph (GNIRS). We find that M-dwarfs with planets are preferentially metal-rich compared to those without planets. This result is supported by the analysis of a larger catalogue of 18 M stars with planets and 213 M stars without known planets T15, and demonstrates the utility of GNIRS spectra to obtain reliable stellar parameters of M stars. We also find that M dwarfs with giant planets are preferentially more metallic than those with low-mass planets, in agreement with previous results for solar-type stars. These results favor the core accretion model of planetary formation.

Comparison of optical and electron spectra in an infra-red free electron laser

Energy Technology Data Exchange (ETDEWEB)

MacLeod, A.M.; Gillespie, W.A.; Martin, P.F. [Univ. of Abertay, Dundee (United Kingdom)] [and others

1995-12-31

Time-resolved electron and optical spectra recently acquired at the FELIX facility are presented, showing the evolution of the respective macropulses. A comparison is made between the optical power output during the macropulse and the measured power extracted from the electron beam using a simple model of the cavity losses. Data are available for a wide range of operating conditions: the wavelength range is from 9 {mu}m to 28 {mu}m and detuning are between 1/4{lambda} and 2{lambda}. The effect of rapid electron beam energy changes on the optical and electron spectra will also be discussed.

Infrared spectroscopy of ionic clusters

International Nuclear Information System (INIS)

Price, J.M.

1990-11-01

This thesis describes new experiments wherein the infrared vibrational predissociation spectra of a number of mass-selected ionic cluster systems have been obtained and analyzed in the 2600 to 4000 cm -1 region. The species studied include: the hydrated hydronium ions, H 3 O + (H 2 O) 3 -10 , ammoniated ammonium ions, NH 4 + (NH 3 ) 1 -10 and cluster ions involving both water and ammonia around an ammonium ion core, (mixed clusters) NH 4 + (NH 3 ) n (H 2 O) m (n+m=4). In each case, the spectra reveal well resolved structures that can be assigned to transitions arising from the vibrational motions of both the ion core of the clusters and the surrounding neutral solvent molecules. 154 refs., 19 figs., 8 tabs

Infrared Spectra of Novel NgBeSO2 Complexes (Ng = Ne, Ar, Kr, Xe) in Low Temperature Matrixes.

Science.gov (United States)

Yu, Wenjie; Liu, Xing; Xu, Bing; Xing, Xiaopeng; Wang, Xuefeng

2016-11-03

The novel noble-gas complexes NgBeSO 2 (Ng = Ne, Ar, Kr, Xe) have been prepared in the laser-evaporated beryllium atom reactions with SO 2 in low-temperature matrixes. Doped with heavier noble gas, the guest (Ar, Kr, Xe) atom can substitute neon to form more stable complex. Infrared spectroscopy and theoretical calculations are used to confirm the band assignment. The dissociation energies are calculated at 0.9, 4.0, 4.7, and 6.0 kcal/mol for NeBeSO 2 , ArBeSO 2 , KrBeSO 2 , and XeBeSO 2 , respectively, at the CCSD(T) level. Quantum chemical calculations demonstrate that the Ng-Be bonds in NgBeSO 2 could be formed by the combination of electron-donation and ion-induced dipole interactions. The Wiberg bond index (WBI) values of Ng-Be bonds and LOL (localized orbital locator) profile indicate that the Ng-Be bond exhibits a gradual increase in covalent character along Ne to Xe.

Infrared and Raman study of 2-formylpyrrole

International Nuclear Information System (INIS)

Limage, M.H.; Lautie, Alain; Novak, Alexandre

1975-01-01

The infrared and Raman spectra of liquid and polycristalline 2-formylpyrrole, C 4 H 3 NHCHO, and its deuterated derivatives C 4 H 3 NDCHO, C 4 H 3 NHCDO and C 4 H 3 NDCDO, have been investigated between 4000 and 40 cm -1 . Infrared spectra of gas and of some solutions were also examined. An assignment of 23 and 30 intramolecular fundamentals, from 30 expected ones, respectively for gas and condensed phases is given. The observed frequencies are compared to those of pyrrole and of some aldehydes. Molecular conformation, torsional barrier of CHO group, and the intramolecular influence of the CHO group on the molecular properties are discussed. There are hydrogen bonded cyclic dimers in the liquid and infinite chains in solid. The NH ... O hydrogen bonds are relatively strong because of the increased acidity of the NH group and the increased basicity of the CO group. They are characterized in the crystal, by a relative NH stretching frequency shift of 10% and by a N...O distance of about 2.90 A [fr

Fourier transform infrared spectroscopy of dental unit water line biofilm bacteria

OpenAIRE

Liaqat, Iram

2009-01-01

Fourier transform-infrared (FT-IR) spectroscopy has become an important tool for rapid analysis of complex biological samples. The infrared absorbance spectrum could be regarded as a “fingerprint” which is a feature of biochemical substances. The FT-IR spectra of fresh and stored dried samples of six bacterial isolates (Klebsiella sp., Bacillus cereus, Bacillus subtilis, Pseudomonas aeruginosa, Achromobacter xylosoxidans and Achromobacter sp.) were observed by variation in sample preparation....

Acquisition of reproducible transmission near-infrared (NIR) spectra of solid samples with inconsistent shapes by irradiation with isotropically diffused radiation using polytetrafluoroethylene (PTFE) beads.

Science.gov (United States)

Lee, Jinah; Duy, Pham Khac; Yoon, Jihye; Chung, Hoeil

2014-06-21

A bead-incorporated transmission scheme (BITS) has been demonstrated for collecting reproducible transmission near-infrared (NIR) spectra of samples with inconsistent shapes. Isotropically diffused NIR radiation was applied around a sample and the surrounding radiation was allowed to interact homogeneously with the sample for transmission measurement. Samples were packed in 1.40 mm polytetrafluoroethylene (PTFE) beads, ideal diffusers without NIR absorption, and then transmission spectra were collected by illuminating the sample-containing beads using NIR radiation. When collimated radiation was directly applied, a small portion of the non-fully diffused radiation (NFDR) propagated through the void space of the packing and eventually degraded the reproducibility. Pre-diffused radiation was introduced by placing an additional PTFE disk in front of the packing to diminish NFDR, which produced more reproducible spectral features. The proposed scheme was evaluated by analyzing two different solid samples: density determination for individual polyethylene (PE) pellets and identification of mining locality for tourmalines. Because spectral collection was reproducible, the use of the spectrum acquired from one PE pellet was sufficient to accurately determine the density of nine other pellets with different shapes. The differentiation of tourmalines, which are even more dissimilar in appearance, according to their mining locality was also feasible with the help of the scheme.

Resonant Raman and FTIR spectra of carbon doped GaN

Science.gov (United States)

Ito, S.; Kobayashi, H.; Araki, K.; Suzuki, K.; Sawaki, N.; Yamashita, K.; Honda, Y.; Amano, H.

2015-03-01

Intentionally carbon (C) doped (0 0 0 1)GaN was grown using C2H2 on a sapphire substrate by metalorganic vapor phase epitaxy. Optical spectra of the heavily doped samples were investigated at room temperature. In Raman spectra excited by the 325 nm line of a He-Cd laser, multiple LO phonon scattering signals up to 7th order were observed, and the A1(LO) phonon energy was determined to be 737.5 cm-1 (91.45 meV). In infrared reflectance spectra, on the other hand, a local vibration mode was found at 777.5 cm-1, which is attributed to a Ga-C bond in the GaN matrix suggesting that the C sits on an N site (CN). In spite of the strong suggestion of CN, the samples did not show p-type conduction. Possible origin of the carrier compensation is discussed in relation to the enhancement of defect related yellow luminescence in the photoluminescence spectra.

CRYSTALLIZATION EXPERIMENTS ON AMORPHOUS MAGNESIUM SILICATE. II. EFFECT OF STACKING FAULTS ON INFRARED SPECTRA OF ENSTATITE

International Nuclear Information System (INIS)

Murata, K.; Chihara, H.; Koike, C.; Takakura, T.; Imai, Y.; Tsuchiyama, A.; Noguchi, T.

2009-01-01

We carried out experiments of low-temperature infrared spectroscopy and transmission electron microscopy of enstatite (MgSiO 3 ) synthesized by heating of amorphous magnesium silicate. There is a discrepancy between the infrared feature of enstatite obtained in this experiment and that of fine powdered single crystals. This reflects stacking disorder of enstatite. We show that circumstellar dust emission of enstatite is similar to the infrared feature measured in this experiment. This result strongly suggests that circumstellar enstatite has abundant stacking faults and is different from the single crystal.

Infrared spectroscopic and theoretical study of the HC2n+1O+ (n = 2-5) cations

Science.gov (United States)

Jin, Jiaye; Li, Wei; Liu, Yuhong; Wang, Guanjun; Zhou, Mingfei

2017-06-01

The carbon chain cations, HC2n+1O+ (n = 2-5), are produced via pulsed laser vaporization of a graphite target in supersonic expansions containing carbon monoxide and hydrogen. The infrared spectra are measured via mass-selected infrared photodissociation spectroscopy of the CO "tagged" [HC2n+1O.CO]+ cation complexes in the 1600-3500 cm-1 region. The geometries and electronic ground states of these cation complexes are determined by their infrared spectra compared to the predications of theoretical calculations. All of the HC2n+1O+ (n = 2-5) core cations are characterized to be linear carbon chain derivatives terminated by hydrogen and oxygen, which have the closed-shell singlet ground states with polyyne-like carbon chain structures.

The structural and optical constants of Ag2S semiconductor nanostructure in the Far-Infrared.

Science.gov (United States)

Zamiri, Reza; Abbastabar Ahangar, Hossein; Zakaria, Azmi; Zamiri, Golnoosh; Shabani, Mehdi; Singh, Budhendra; Ferreira, J M F

2015-01-01

In this paper a template-free precipitation method was used as an easy and low cost way to synthesize Ag2S semiconductor nanoparticles. The Kramers-Kronig method (K-K) and classical dispersion theory was applied to calculate the optical constants of the prepared samples, such as the reflective index n(ω) and dielectric constant ε(ω) in Far-infrared regime. Nanocrystalline Ag2S was synthesized by a wet chemical precipitation method. Ag2S nanoparticle was characterized by X-ray diffraction, Scanning Electron Microscopy, UV-visible, and FT-IR spectrometry. The refinement of the monoclinic β-Ag2S phase yielded a structure solution similar to the structure reported by Sadanaga and Sueno. The band gap of Ag2S nanoparticles is around 0.96 eV, which is in good agreement with previous reports for the band gap energy of Ag2S nanoparticles (0.9-1.1 eV). The crystallite size of the synthesized particles was obtained by Hall-Williamson plot for the synthesized Ag2S nanoparticles and it was found to be 217 nm. The Far-infrared optical constants of the prepared Ag2S semiconductor nanoparticles were evaluated by means of FTIR transmittance spectra data and K-K method. Graphical abstractThe Far-infrared optical constants of Ag2S semiconductor nanoparticles.

Infrared Line Intensities for Formaldehyde from Simultaneous Measurements in the Infrared and Far Infrared Spectral Ranges

Science.gov (United States)

Fissiaux, L.; Földes, T.; Tchana, F. Kwabia; Daumont, L.; Lepère, M.; Vander Auwera, J.

2011-06-01

Formaldehyde (H_2CO) is an important intermediate compound in the degradation of the volatile organic compounds (VOCs), including methane, in the terrestrial troposphere. Its observation using optical remote sensing in the infrared range relies on the 3.6 and 5.7 μm absorption bands. Band and individual line intensities have been reported in both ranges. With the present work, we aim to also derive infrared line intensities for formaldehyde, however relying on pure rotation line intensities and the known electric dipole moment to determine the particle density. Indeed, because formaldehyde polymerizes or degrades easily, the gas phase may contain polymerization or degradation products. Spectra of H_2CO diluted in 10 hPa of N_2 were therefore simultaneously recorded in the 20-60 Cm-1 and 3.6 μm ranges, respectively using a Bruker IFS125HR Fourier transform spectrometer and a tunable diode laser. see A. Perrin, D. Jacquemart, F. Kwabia Tchana, N. Lacome, J. Quant. Spectrosc. Radiat. Transfer 110 (2009) 700-716, and references therein

Water stress index for alkaline fen habitat based on UAV and continuous tower measurements of canopy infrared temperature

Science.gov (United States)

Ciężkowski, Wojciech; Jóźwiak, Jacek; Chormański, Jarosław; Szporak-Wasilewska, Sylwia; Kleniewska, Małgorzata

2017-04-01

This study is focused on developing water stress index for alkaline fen, to evaluate water stress impact on habitat protected within Natura 2000 network: alkaline fens (habitat code:7230). It is calculated based on continuous measurements of air temperature, relative humidity and canopy temperature from meteorological tower and several UAV flights for canopy temperature registration. Measurements were taken during the growing season in 2016 in the Upper Biebrza Basin in north-east Poland. Firstly methodology of the crop water stress index (CWSI) determination was used to obtained non-water stress base line based on continuous measurements (NWSBtower). Parameters of NWSBtower were directly used to calculate spatial variability of CWSI for UAV thermal infrared (TIR) images. Then for each UAV flight day at least 3 acquisition were performed to define NWSBUAV. NWSBUAV was used to calculate canopy waters stress for whole image relative to the less stressed areas. The spatial distribution of developed index was verified using remotely sensed indices of vegetation health. Results showed that in analysed area covered by sedge-moss vegetation NWSB cannot be used directly. The proposed modification of CWSI allows identifying water stress in alkaline fen habitats and was called as Sedge-Moss Water Stress Index (SMWSI). The study shows possibility of usage remotely sensed canopy temperature data to detect areas exposed to the water stress on wetlands. This research has been carried out under the Biostrateg Programme of the Polish National Centre for Research and Development (NCBiR), project No.: DZP/BIOSTRATEG-II/390/2015: The innovative approach supporting monitoring of non-forest Natura 2000 habitats, using remote sensing methods (HabitARS).

GROUPING OF ORAL STREPTOCOCCAL SPECIES USING FOURIER-TRANSFORM INFRARED-SPECTROSCOPY IN COMPARISON WITH CLASSICAL MICROBIOLOGICAL IDENTIFICATION

NARCIS (Netherlands)

VANDERMEI, HC; NAUMANN, D; BUSSCHER, HJ

1993-01-01

The grouping and identification made by Fourier-transform infrared spectroscopy (FT-IR) of 40 oral streptococcal strains was compared with their known taxonomic positions. Grouping was obtained by cluster analysis on the spectral distances between the first derivative spectra of the strains. Spectra

Surface science station of the infrared beamline at SPring-8

International Nuclear Information System (INIS)

Sakurai, M.; Moriwaki, T.; Kimura, H.; Nishida, S.; Nanba, T.

2001-01-01

An experimental station for surface science has been constructed at the infrared beamline (BL43IR) of SPring-8, Japan. The station utilizes synchrotron radiation in the energy range of 100-20000 cm -1 to perform infrared reflection absorption spectroscopy (IRAS) of surfaces. It consists of an experimental section, a preparation chamber, gas handling equipment and a pair of focusing optics. In situ observation of vibrational spectra is possible using both IRAS and high-resolution electron energy loss spectroscopy

Construction of Models for Nondestructive Prediction of Ingredient Contents in Blueberries by Near-infrared Spectroscopy Based on HPLC Measurements.

Science.gov (United States)

Bai, Wenming; Yoshimura, Norio; Takayanagi, Masao; Che, Jingai; Horiuchi, Naomi; Ogiwara, Isao

2016-06-28

Nondestructive prediction of ingredient contents of farm products is useful to ship and sell the products with guaranteed qualities. Here, near-infrared spectroscopy is used to predict nondestructively total sugar, total organic acid, and total anthocyanin content in each blueberry. The technique is expected to enable the selection of only delicious blueberries from all harvested ones. The near-infrared absorption spectra of blueberries are measured with the diffuse reflectance mode at the positions not on the calyx. The ingredient contents of a blueberry determined by high-performance liquid chromatography are used to construct models to predict the ingredient contents from observed spectra. Partial least squares regression is used for the construction of the models. It is necessary to properly select the pretreatments for the observed spectra and the wavelength regions of the spectra used for analyses. Validations are necessary for the constructed models to confirm that the ingredient contents are predicted with practical accuracies. Here we present a protocol to construct and validate the models for nondestructive prediction of ingredient contents in blueberries by near-infrared spectroscopy.

Infrared and Optical Spectroscopy of Type Ia Supernovae in the Nebular Phase

OpenAIRE

Bowers, E. J. C.; Meikle, W. P. S.; Geballe, T. R.; Walton, N. A.; Pinto, P. A.; Dhillon, V. S.; Howell, S. B.; Harrop-Allin, M. K.

1997-01-01

We present near-infrared (NIR) spectra for Type Ia supernovae at epochs of 13 to 338 days after maximum blue light. Some contemporary optical spectra are also shown. All the NIR spectra exhibit considerable structure throughout the J-, H- and K-bands. In particular they exhibit a flux `deficit' in the J-band which persists as late as 175 days. This is responsible for the well-known red J-H colour. To identify the emission features and test the $^{56}$Ni hypothesis for the explosion and subseq...

Fourier-transform infrared spectroscopic studies of dithia ...

Indian Academy of Sciences (India)

We present here infrared absorption spectra of dithia tetraphenylporphine and its cation in the 450-1600 and 2900-3400 cm-1 regions. Most of the allowed IR bands are observed in pairs due to overall 2ℎ point group symmetry of the molecule. The observed bands have been assigned to the porphyrin skeleton and phenyl ...

Fourier-transform infrared spectroscopic studies of dithia ...

Indian Academy of Sciences (India)

Unknown

limited region 1000–1150 cm–1.10 Therefore, in the present paper we report and analyse Fourier-trans- form infrared (FT-IR) spectra of S2TPP and its chemically prepared cation. 2. Experimental. Dithia tetraphenyl porphyrine was received from. Professor A L Verma as a gift and used without fur- ther purification. However ...

Fourier transform infrared spectrometery: an undergraduate experiment

International Nuclear Information System (INIS)

Lerner, L

2016-01-01

Simple apparatus is developed, providing undergraduate students with a solid understanding of Fourier transform (FT) infrared (IR) spectroscopy in a hands on experiment. Apart from its application to measuring the mid-IR spectra of organic molecules, the experiment introduces several techniques with wide applicability in physics, including interferometry, the FT, digital data analysis, and control theory. (paper)

Discrimination of mineral waters using near infrared spectroscopy and aquaphotomics

Directory of Open Access Journals (Sweden)

Munćan Jelena S.

2014-01-01

Full Text Available Despite that water is one of the most studied materials today its dynamic properties are still not well understood. Water state in human organism is of high importance for normal healthy functioning of human body. Different kinds of water are usually classified according to its present solutes, and concentrations of these solutes, but though it is known that water molecules can form clusters around present solutes, classification of waters based on types of water molecular organization and present clusters is not present in current literature. In this study we used multivariate analysis for classification of commercial mineral waters based on their near infrared spectra (NIR. Further, we applied Aquaphotomics, a new approach for interpretation of near infrared spectra of water, which gives insight into organization of water molecules in each of these waters.

Modeling midwave infrared muzzle flash spectra from unsuppressed and flash-suppressed large caliber munitions