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Sample records for moessbauer spectroscopic investigation

  1. Moessbauer spectroscopic investigations of Fe/Mn-Fischer-Tropsch-catalysts

    International Nuclear Information System (INIS)

    Deppe, P.; Papp, H.; Rosenberg, M.

    1986-01-01

    The phase composition of Fe/Mn oxide catalysts of different compositions after 200 h of Fischer-Tropsch synthesis have been investigated by Moessbauer spectroscopy at room temperature, 77 K and 5 K. The final composition of the bulk catalysts depends strongly on the Mn content and the temperature of reduction before the synthesis. Catalytic activity and selectivity are partly correlated to this phase composition. (Auth.)

  2. Moessbauer spectroscopic characterization of ferrite ceramics

    International Nuclear Information System (INIS)

    Music, S.; Ristic, M.

    1999-01-01

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

  3. Moessbauer investigations of itmid

    International Nuclear Information System (INIS)

    Mrayed, Y.S.; Ellid, M.S.; Fallagh, F.A.

    1996-01-01

    A sample of itmid available commercially was obtained and investigated using 57 Fe Moessbauer spectroscopy, atomic absorption, X-ray fluorescence. The Moessbauer spectra showed the presence hematite (alpha-Fe 2 O 3 ), goethite (alpha-FeOOH), and a third phase which has a six-line spectrum with the following parameters : Isomer shift (gamma= 0.52 mm/s), magnetic field (H=290 kOe). After conducting a series of reduction and calcination to the itmid sample and with the aid of atomic absorption and X-ray fluorescence results the third phase was identified as the iron sulfide compound FeS. 3 figs., 3 tabs

  4. Moessbauer investigations of itmid

    Energy Technology Data Exchange (ETDEWEB)

    Mrayed, Y S; Ellid, M S; Fallagh, F A [Physics and material Science Department, Tajoura Nuclear Research Center, Tripoli, (Libyan Arab Jamahiriya)

    1997-12-31

    A sample of itmid available commercially was obtained and investigated using{sup 57} Fe Moessbauer spectroscopy, atomic absorption, X-ray fluorescence. The Moessbauer spectra showed the presence hematite (alpha-Fe{sub 2} O{sub 3}), goethite (alpha-FeOOH), and a third phase which has a six-line spectrum with the following parameters : Isomer shift (gamma= 0.52 mm/s), magnetic field (H=290 kOe). After conducting a series of reduction and calcination to the itmid sample and with the aid of atomic absorption and X-ray fluorescence results the third phase was identified as the iron sulfide compound FeS. 3 figs., 3 tabs.

  5. Europium-151 Moessbauer spectroscopic and XANES investigation of europium-exchanged Y-zeolite

    International Nuclear Information System (INIS)

    Berry, F.J.; Marco, J.F.; Steel, A.T.

    1994-01-01

    Eu 3+ in ca. 10 wt% europium-exchanged Y-zeolite is partially reduced by treatment in hydrogen at 600 C to Eu 2+ . The reduction of Eu 3+ is more readily achieved in Y-zeolite than in europium(III) oxide. The discrepancy in the extent of reduction as revealed by 151 Eu Moessbauer spectroscopy and near edge X-ray absorption fine structure (XANES) is associated with any difference in the recoil free fractions of Eu 2+ and Eu 3+ which may exist at 298 K and the enhanced sensitivity of the XANES to changes in the europium oxidation state. (orig.)

  6. Development of system and technology for moessbauer spectroscopic microscope

    Energy Technology Data Exchange (ETDEWEB)

    Hayakawa, Kazuo; Akiyama, Yuki; Tsukamoto, Yoshinori; Kurata, Mikio; Yukihira, Kenichi [Shizuoka Institute of Science and Technology (Japan); Soejima, Hiroyoshi [Shimadzu Corporation (Japan); Yoshida, Yutaka, E-mail: yoshida@ms.sist.ac.jp [Shizuoka Institute of Science and Technology (Japan)

    2012-03-15

    We have been developing a 'Moessbauer Spectroscopic Microscope (MSM)' which consists of a focusing lens for 14.4 keV {gamma}-rays and a high precision X-Y stage. The measuring system both for electrons and {gamma}-rays combined with a new Moessbauer driver, i.e., 'a moving coil actuator with a liner encoder' enables us to measure the mapping images simultaneously corresponding to different spectral components. The system has a controlling system based on a LabVIEW program and a LIST mode data acquisition system (NIKI-GLASS/A3100). To investigate a correlation between the microstructure of a sample and {sup 57}Fe atoms, a scanning electron microscope (APCO/Mini-EOC) is also installed to this system.

  7. Crystal structure, magnetism, {sup 89}Y solid state NMR, and {sup 121}Sb Moessbauer spectroscopic investigations of YIrSb

    Energy Technology Data Exchange (ETDEWEB)

    Benndorf, Christopher [Institut fuer Physikalische Chemie, Universitaet Muenster (Germany); Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster (Germany); Heletta, Lukas; Block, Theresa; Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster (Germany); Eckert, Hellmut [Institut fuer Physikalische Chemie, Universitaet Muenster (Germany); Institute of Physics in Sao Carlos, University of Sao Paulo, Sao Carlos (Brazil)

    2017-02-15

    The ternary antimonide YIrSb was synthesized from the binary precursor YIr and elemental antimony by a diffusion controlled solid-state reaction. Single crystals were obtained by a flux technique with elemental bismuth as an inert solvent. The YIrSb structure (TiNiSi type, space group Pnma) was refined from single-crystal X-ray diffractometer data: a = 711.06(9), b = 447.74(5), c = 784.20(8) pm, wR{sub 2} = 0.0455, 535 F{sup 2} values, 20 variables. {sup 89}Y solid state MAS NMR and {sup 121}Sb Moessbauer spectra show single resonance lines in agreement with single-crystal X-ray data. YIrSb is a Pauli paramagnet. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Moessbauer and EXAFS spectroscopy investigation of iron and arsenic adsorption to lettuce leaves

    International Nuclear Information System (INIS)

    Vasconcelos, Igor F.; Silva, Gabriela C.; Carvalho, Regina P.; Dantas, Maria Sylvia S.; Ciminelli, Virginia S. T.

    2010-01-01

    The accumulation of iron and arsenic from aqueous solution by lettuce leaves biomass was investigated using Moessbauer and EXAFS spectroscopic techniques. Moessbauer spectroscopy results show that iron is oxidized during sorption while EXAFS results indicate that iron is coordinated by approximately 6 oxygen and 2 carbon atoms while arsenic is coordinated by approximately 4 oxygen atoms with iron as a second neighbor.

  9. Moessbauer and EXAFS spectroscopy investigation of iron and arsenic adsorption to lettuce leaves

    Energy Technology Data Exchange (ETDEWEB)

    Vasconcelos, Igor F., E-mail: ifvasco@ufc.br [Universidade Federal do Ceara, Dep. Eng. Metalurgica e de Materiais (Brazil); Silva, Gabriela C.; Carvalho, Regina P.; Dantas, Maria Sylvia S.; Ciminelli, Virginia S. T. [Universidade Federal de Minas Gerais, Dep. Eng. Metalurgica e de Materiais (Brazil)

    2010-01-15

    The accumulation of iron and arsenic from aqueous solution by lettuce leaves biomass was investigated using Moessbauer and EXAFS spectroscopic techniques. Moessbauer spectroscopy results show that iron is oxidized during sorption while EXAFS results indicate that iron is coordinated by approximately 6 oxygen and 2 carbon atoms while arsenic is coordinated by approximately 4 oxygen atoms with iron as a second neighbor.

  10. Moessbauer spectroscopic studies of hemoglobin and its isolated subunits

    International Nuclear Information System (INIS)

    Hoy, G.R.; Cook, D.C.; Berger, R.L.; Friedman, F.K.

    1986-01-01

    Samples of 90% enriched 57Fe hemoglobin and its isolated subunits have been prepared. Moessbauer spectroscopic measurements have been made on three such samples. Sample one contained contributions of oxyhemoglobin, deoxyhemoglobin, and carbonmonoxyhemoglobin. This sample was studied from a temperature of 90 K down to 230 mK. Measurements were also made at 4.2 K using a small applied magnetic field of 1.0 T. In general, the measured quadrupole splittings and isomer shifts for each component agreed with previous measurements on single component samples in the literature, and thus demonstrated that chemically enriched hemoglobin has not been altered. The second and third samples were isolated alpha and beta subunits, respectively. We have found measurable Moessbauer spectral differences between the HbO 2 sites in the alpha subunit sample and the beta subunit sample. The measured Moessbauer spectral areas indicate that the iron ion has the largest mean-square displacement at the deoxy Hb sites as compared to that at the oxy- and carbonmonoxy Hb sites. The mean-square displacement at the HbO 2 sites is the smallest

  11. Moessbauer spectroscopic studies of iron-storage proteins

    Energy Technology Data Exchange (ETDEWEB)

    St. Pierre, T.G.

    1986-01-01

    /sup 57/Fe Moessbauer spectroscopy was used to study iron storage proteins. Various cryostats and a superconducting magnet were used to obtain sample environment temperatures from 1.3 to 200K and applied magnetic fields of up to 10T. The Moessbauer spectra of ferritins isolated from iron-overloaded human spleen, limpet (Patella vulgata), giant limpet (Patella laticostata) and chiton (Clavarizona hirtosa) hemolymph, and bacterial (Pseudomonas aeruginosa) cells are used to gain information on the magnetic ordering- and superparamagnetic transition temperatures of the microcrystalline cores of the proteins. Investigations were made about the cause of the difference in the magnetic anisotropy constants of the cores of iron-overloaded human spleen ferritin and hemosiderin. Livers taken from an iron-overloaded hornbill and artificially iron-loaded rats showed no component with a superparamagnetic transition temperature approaching that of the human spleen hemosiderin.

  12. 57Fe Moessbauer spectroscopic studies on photosensitive nitrile hydratase (NHase)

    International Nuclear Information System (INIS)

    Kobayashi, Yoshio; Odaka, Masafumi

    2001-01-01

    57 Fe Moessbauer spectroscopy is a very useful technique for elucidating the chemical properties and biological changes of Fe species located at the reaction centers in various biological systems. We have applied 57 Fe Moessbauer spectroscopy to study the mechanism of photoactivation and the structural change caused by light irradiation of nitrile hydratase (NHase). (author)

  13. In situ iron-57 Moessbauer spectroscopic investigations of the effect of titania surface area on the reducibility of titania-supported iron oxide

    International Nuclear Information System (INIS)

    Berry, F.J.; Du Hongzhang

    1990-01-01

    Iron-57 Moessbauer spectroscopy has been used to monitor the reducibility in hydrogen of iron oxides supported on titania of differing surface areas. The results show that although Fe 3+ in the iron oxide supported on low surface area titania (11 m 2 g -1 ) is not amenable to facile reduction at low temperatures, complete reduction to metallic iron is achieved by treatment at 600deg C. The data also show that the extent of reduction at elevated temperatures exceeds that which is obtained on similar silica- and alumina-supported systems. Fe 3+ in iron oxide supported on higher surface area titania (50 m 2 g -1 and 240 m 2 g -1 ) is partially reduced in hydrogen at 235deg C to Fe 2+ but fails to attain complete reduction to the metallic state following treatment at 600deg C. The results are related to the different dispersions of iron oxide which can be attained on titania of differing surface area and the consequent interactions between the support and the supported phases. (orig.)

  14. Moessbauer spectroscopic characterization of macromolecule-metallochlorophyll complexes

    International Nuclear Information System (INIS)

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

    1993-01-01

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

  15. Moessbauer spectroscopic studies of magnetically ordered biological materials

    International Nuclear Information System (INIS)

    Dickson, D.P.E.

    1987-01-01

    This paper discusses recent work showing the application of Moessbauer spectroscopy to the study of the properties of the magnetically ordered materials which occur in a variety of biological systems. These materials display a diversity of behaviour which provides good examples of the various possibilities which can arise with iron-containing particles of different compositions and sizes. (orig.)

  16. Moessbauer investigation of iron uptake in wheat

    Energy Technology Data Exchange (ETDEWEB)

    Kovacs, K., E-mail: kkriszti@bolyai.elte.hu [Eoetvoes Lorand University, Laboratory of Nuclear Chemistry, Institute of Chemistry (Hungary); Kuzmann, E. [Hungarian Academy of Sciences, Laboratory of Nuclear Chemistry, Chemical Research Center (Hungary); Fodor, F.; Cseh, E. [Eoetvoes Lorand University, Department of Plant Physiology (Hungary); Homonnay, Z.; Vertes, A. [Eoetvoes Lorand University, Laboratory of Nuclear Chemistry, Institute of Chemistry (Hungary)

    2008-07-15

    Iron uptake and distribution in wheat roots were studied with {sup 57}Fe Moessbauer spectroscopy. Plants were grown both in iron sufficient and in iron deficient nutrient solutions. Moessbauer spectra of the frozen iron sufficient roots exhibited three iron(III) components with the typical average Moessbauer parameters of {delta} = 0.50 mm s{sup -1}, {Delta} = 0.43 mm s{sup -1}, {delta} = 0.50 mm s{sup -1}, {Delta} = 0.75 mm s{sup -1} and {delta} = 0.50 mm s{sup -1}, {Delta} = 1.20 mm s{sup -1} at 80 K. These doublets are very similar to those obtained earlier for cucumber [0], which allows us to suppose that iron is stored in a very similar way in different plants. No ferrous iron could be identified in any case, not even in the iron deficient roots, which confirms the mechanism proposed for iron uptake in the graminaceous plants.

  17. Moessbauer spectroscopic study on inorganic compounds. Pt. 2

    Energy Technology Data Exchange (ETDEWEB)

    Takahashi, Masashi; Kitazawa, Takafumi; Nanba, Hiroshi; Yoshinaga, Tomohiro; Nakajima, Norio; Sumisawa, Yasuhiro; Takeda, Masuo [Toho Univ., Funabashi, Chiba (Japan). Faculty of Science; Sawahata, Hiroyuki; Ito, Yasuo

    1998-01-01

    {sup 166}Er and {sup 127}I Moessbauer spectra were observed. {sup 166}Er Moessbauer spectrum of Er metal and 9 compounds were measured by {sup 166}Ho/Y{sub 0.6}Ho{sub 0.4}H{sub 2} source at 12K and the parameters such as e{sup 2}qQ(mm s{sup -1}), Heff(T) and {tau}(ns) were determined. The relaxation time of ErCl{sub 3}{center_dot}6H{sub 2}O was 0.7ns, long, but that of ErCl{sub 3} was 10 ps, short time. {sup 127}I Moessbauer spectrum of PhI(O{sub 2}CR){sub 2} (R=CH{sub 3}, CHF{sub 2}, CH{sub 2}Cl, CHCl{sub 2}, CCl{sub 3}, CH{sub 2}Br, CHBr{sub 2} and CBr{sub 3}) were observed and compared with that of R`{sub 3}Sb(O{sub 2}CR){sub 2} was similar to that of PhI(O{sub 2}CR){sub 2}. The correlation coefficient between e{sup 2}qQ({sup 127}I) and Mulliken population of carboxylic hydrogen atom of R{sub 2}CO{sub 2}H was -0.87. The relation between the hypervalent bond of O-I-O and that of O-Sb-0 was shown by the equation: e{sup 2}qQ({sup 121}Sb)/mm s{sup -1} = -47.2 + 1.32 e{sup 2}qQ({sup 127}I)/mm s{sup -1}. Hypervalent iodine complex such as (PhI(py){sub 2}){sup 2+} salt and E-Sb-I (E=O, I, N and C) were studied, too. (S.Y.)

  18. Moessbauer spectroscopic study of polymer-bound heme complexes

    International Nuclear Information System (INIS)

    Tsuchida, Eishun; Nishide, Hiroyuki; Yokoyama, Hiroyuki; Inoue, Hidenari; Shirai, Tsuneo.

    1984-01-01

    Moessbauer spectra were measured on the heme complexes of poly(1-vinyl- and 1-vinyl-2-methylimidazole)(PVI and PMI) and heme derivatives with covalently bound imidazoleligand (IH) and 2-methylimidazole-ligand (MIH) embedded in poly(1-vinyl-2-pyrrolidone) film. Quadrupole splitting (ΔE sub(Q)) for the carbon monoxide adduct of PMI-heme indicated large electronic field gradient at the iron nucleus, probably due to steric hindrance of the polymer chain, and this behavior agreed with its low affinity with carbon monoxide. PMI-heme formed an oxygen adduct and its isomer shift and ΔE sub(Q) values were obtained. (author)

  19. Moessbauer spectroscopic studies of alkylammonium iron(III) complexes

    International Nuclear Information System (INIS)

    Katada, M.; Kozawa, S.; Nakajima, Y.

    2006-01-01

    Alkylammonium iron(III) complexes, [(n-C n H 2n+1 )mNH 4-m ] 3 [Fe(CN) 6 ] were prepared and studied by Moessbauer spectroscopy, XRD, and DSC. In the complexes with m=2, the temperature dependences of the area intensity of Moessbauer are correlated to the motion of alkyl chains. The temperature dependence of the complex with n=4 was linear and smaller than that of other complexes. Especially in the complex with n=6, the deviation from the linear was the largest in the complexes observed. This result is attributed to the structural difference of the complex. The complexes with n≥8 consist of two-dimensional layer structure. The temperature dependence of the area intensity was similar to each other. This means that the motion of alkyl chain in these complexes are almost the same. The values of quadrupole splitting for the complexes were larger those that of the complexes (m=1). This indicates that the form of [Fe(CN) 6 ] 3- ion is affected by the differences of the number of alkyl groups. (author)

  20. Moessbauer investigations of palygorskite from Xuyi, China

    International Nuclear Information System (INIS)

    Huang Yanjun; Li Zhen; Li Shuzhen; Shi Ziliang; Yin Lin; Hsia Yuanfu

    2007-01-01

    The original palygorskite clay mineral has been collected from Longwangshan, Xuyi, Jiangsu Province, China. XRF analysis was performed to study its chemical compositions. Thermogravimetric analysis and differential thermogravimetric analysis (TGA/DTA) were used to study the weight loss due to dehydration and dehydroxylation. Then eight samples were prepared by heating at various temperatures. X-ray diffraction (XRD) patterns and Moessbauer spectra were measured to study the crystal evolvement and the occupation of iron cations. It revealed that the iron ions occupied the M1 and M2 with the ratio closed to 3:1. Hematite has been observed when heated at 650 deg. C, which indicated that iron cations mainly occupy M1 sites. An unknown silicate was identified when heated at 750 deg. C and dominated at 850 deg. C

  1. A Moessbauer spectroscopic study of stannosilicate and ferrisilicate glasses

    International Nuclear Information System (INIS)

    Appleyard, P.G.

    2000-02-01

    Silicate glasses of variable composition, containing tin and iron have been studied using Moessbauer spectroscopy. The glass samples consisted of 3 basic groups; binary stannosilicate glasses, ternary stannosilicate glasses and ternary ferrisilicate glasses. The binary stannosilicate glasses were a simple x SnO + (1-x) SiO 2 composition, with x ranging from 16.5% to 67.7% mole. The ternary stannosilicate glasses followed a nominal compositional range of 0.5 SiO 2 + (0.5-x) SnO + x RO, where RO is modifier oxide. Several series of ternary stannosilicates were manufactured, with each series containing a different modifier type. The modifiers chosen were; group I metal oxides of Li, Na, K and Rb, group II metal oxides of Mg, Ca and Sr and group III metal oxide of Al. Two series of ternary ferrisilicate glasses were manufactured following nominal compositional ranges of (0.7-x) SiO 2 + x Fe 2 O 3 + 0.3 Na 2 O and 0.7 SiO 2 + xFe 2 O 3 + (0.3-x) Na 2 O. In the majority of the stannosilicate glasses, the Sn was shown to exist primarily in the Sn(II) valence state. The Moessbauer centre shift and quadrupole splitting of the Sn(II) were shown to possess a dependence on sample concentration, this being weak in the binary glasses, but large and distinct in the ternary glasses. The isomer shift and quadrupole splitting slowly decreased with increasing modifier concentration in the ternary glasses. The rate of this decrease was proportional to the Z/radius of the modifier ion. Variable temperature experiments on a large selection of the glasses revealed that the Sn(II) isomer shift and quadrupole splitting possessed positive and negative dependencies on temperature respectively. The increase in isomer shift is consistent with the effects of thermal expansion and an increase in pressure at the Sn site. The decrease in quadrupole splitting is also consistent with thermal expansion of the Sn-O bonds. The temperature dependence of the isomer shift was incorporated into the

  2. Application of Moessbauer spectroscopy in investigating Egyptian archaeology

    International Nuclear Information System (INIS)

    Eissa, N.A.; Sallam, H.A.

    1988-01-01

    This article summarizes the results of applications of the Moessbauer spectroscopy to investigate Ancient Egyptian pottery from the periods: Ancient Egyptian (3200-525 B.C.), Greek-Roman (320 B.C.-640 A.C.) and Early Islamic (800-1000 A.C.). Many objective informations deduced about: provinance, manufacturing techniques for different domestic purposes, civilization transfer between the Arab countries, methods of colouration and applying decorating glazes, and finally dating of ancient pottery. (orig.)

  3. Moessbauer spectroscopic studies of the magnetic and structural properties of novel nanophase magnetic materials

    International Nuclear Information System (INIS)

    Milford, G.H.

    2000-08-01

    57 Fe Moessbauer Spectroscopy and complementary techniques have been used to characterise the physical and magnetic properties of a variety of novel nanophase iron containing magnetic particles, over a range of temperatures, and applied magnetic fields. Two series of commercially produced advanced metal particle pigments and tapes intended for use as magnetic recording media have been characterised using Transmission and Conversion Electron Moessbauer Spectroscopy at 4.2K, 77K and 293K. Moessbauer Spectra at 4.2K and 293K have identified two different forms of iron within the samples, an iron alloy core and an Fe 3+ oxide passivation layer. The first series of metal particle pigments studied is split into two separate groups, the core of the first group consists of a disordered Fe/Co alloy. Whereas the second group of metal particle pigments studied within the series have shown different characteristics than the previous samples, as the core is no longer a simple Fe/Co alloy. In addition to this the particle size is significantly reduced in the final sample within the series. This may be due to the presence of an Fe 2+ component, which appears to reduce the amount of Fe 3+ component necessary to passivate the particles by approximately half. The second series of samples have been used in part to investigate the out of plane angle of the metal particle pigments and its relationship with the squareness of the metal particle tapes. It is vital to minimise the out of plane angle of the metal particle tapes to obtain the optimum magnetic properties of the metal particle pigment. It has been shown that a decreasing out of plane angle leads to an increase in the squareness of the tapes. As a consequence of this the switching field distribution can be narrowed on metal particle tapes by reducing the out of plane angle. A further investigation has been carried out on the metal particle pigments coated onto tapes using Conversion Electron Moessbauer Spectroscopy, in order to

  4. Gamma-X-ray coincidence Moessbauer spectroscopic study of the aftereffects in sulfate hydrates

    International Nuclear Information System (INIS)

    Kobayashi, T.; Makita, T.; Fukumura, K.

    1990-01-01

    The anomalous charge states formed after the electron capture decay of 57 Co in FeSO 4 .H 2 O and FeSO 4 .7H 2 O are investigated using the conventional Moessbauer emission spectroscopy and a gamma-X ray coincidence method. This method is based on the idea that a Moessbauer spectrum observed with the coincidence technique only when K-X rays are emitted is reflected by isolated events with a reduced influence of the Auger-electron self-irradiation. The formation of the anomalous electronic and structural configuration is attributed to the self-radiolysis of the H 2 O and SO 4 2- ligands in the nearest and the second nearest coordination shells around the decaying atom. (orig.)

  5. Co{sup 2 + } interaction with Azospirillum brasilense Sp7 cells: a {sup 57}Co emission Moessbauer spectroscopic study

    Energy Technology Data Exchange (ETDEWEB)

    Kamnev, Alexander A.; Tugarova, Anna V. [Russian Academy of Sciences, Institute of Biochemistry and Physiology of Plants and Microorganisms (Russian Federation); Biro, Borbala [Hungarian Academy of Sciences, Research Institute for Soil Science and Agricultural Chemistry (Hungary); Kovacs, Krisztina, E-mail: kkriszti@chem.elte.hu; Homonnay, Zoltan; Kuzmann, Erno; Vertes, Attila [Eoetvoes Lorand University, Institute of Chemistry (Hungary)

    2012-03-15

    Preliminary {sup 57}Co emission Moessbauer spectroscopic data were obtained for the soil bacterium Azospirillum brasilense Sp7 (T = 80 K) in frozen {sup 57}Co{sup 2 + }-containing suspensions and in their dried residues. The Moessbauer parameters were compared with those for A. brasilense strain Sp245 differing from strain Sp7 by ecological behaviour. Live cells of both strains showed metabolic transformations of {sup 57}Co{sup 2 + } within an hour. Differences in the parameters observed for the two strains under similar conditions suggest dissimilarities in their metabolic response to Co{sup 2 + }.

  6. Investigation of microbial-mineral interactions by Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Sawicki, J.A.; Brown, D.A.

    1998-01-01

    Moessbauer spectroscopy was used to investigate the reactions of microbes with iron minerals in aqueous solutions and as components of rocks in banded iron formations and granite. A microbial biofilm that formed on a wall of an excavated granite vault in a deep underground laboratory initiated this research. At the aerobic face of the biofilm, iron was found in a form of ferrihydrite; in the anaerobic face against the rock, iron was found as very small siderite particles. Laboratory incubations of the biofilm microbial consortium showed different mineral species could be formed. When the microbial consortium from the biofilm was incubated with magnetite grains, up to about 10% of the iron was altered in three weeks to hematite. The ability of the consortium to precipitate iron both as Fe 2+ and Fe 3+ in close proximity may have a bearing on the deposition of banded iron formations. These reactions could also be important in microbially induced corrosion

  7. Moessbauer investigation of maghemite-based glycolic acid nanocomposite

    International Nuclear Information System (INIS)

    Santos, J. G.; Silveira, L. B.; Oliveira, A. C.; Garg, V. K.; Lacava, B. M.; Tedesco, A. C.; Morais, P. C.

    2007-01-01

    Transmission electron microscopy, X-ray diffraction and Moessbauer spectroscopy were used in the characterization of a nanocomposite containing magnetic nanoparticles dispersed in a glycolic acid-based template. Maghemite nanoparticles were identified as the iron oxide phase dispersed in the polymeric template. From the low-temperature Moessbauer data the amount of the iron-based, non-magnetic material at the nanoparticle surface was estimated as roughly one monolayer in thickness.

  8. Moessbauer investigation of gold-bearing pyrite-rich concentrates

    International Nuclear Information System (INIS)

    Wagner, F.E.; Harris, D.C.

    1994-01-01

    A gold-bearing pyrite-rich concentrate of a refractory ore from the Golden Bear mine, northwestern British Columbia, and a pyrite-rich concentrate from Newhawk's west zone, Brucejack Lake area, northern British Columbia, containing 38 and 316 ppm Au and 0.57% and 0.19% As, respectively, have been investigated using 197 Au and 57 Fe Moessbauer spectroscopy. In the Golden Bear sample, the gold is mainly chemically bound in the pyrite with minor amounts present as an Au-Ag alloy, whereas in the Newhawk sample, the gold occurs mainly as an Au-Ag alloy with a composition close to Au 0.5 Ag 0.5 and is only partly bound in the pyrite. Having mean isomer shifts of +3.2 and +4.0 mm/s with respect to a Pt metal source, the gold in pyrite exhibits shifts similar to those observed for gold in arsenopyrite. The nature of the lattice sites occupied by the gold in pyrite is discussed. (orig.)

  9. 57Fe Moessbauer spectroscopic study of the thermal decomposition of Fe(IO3)3

    International Nuclear Information System (INIS)

    Music, S.; Simmons, G.W.; Leidheiser, H. Jr

    1981-01-01

    Thermal decomposition of iron(III) iodate at temperatures up to 600 deg C has been followed by 57 Fe Moessbauer spectroscopy. The 57 Fe Moessbauer spectrum of iron(III) iodate is characterized by a single absorption peak. A magnetic splitting component of small intensity appears after 42 h heating at 370 deg C. Iron(III) iodate is completely decomposed after 1 h heating at 470 deg C. Moessbauer parameters of the component yielding the magnetic hyperfine split spectrum correspond to α-Fe 2 O 3 with crystal defects. Quantitative experimental data are summarized and discussed. (author)

  10. Instrumental analysis of bacterial cells using vibrational and emission Moessbauer spectroscopic techniques

    International Nuclear Information System (INIS)

    Kamnev, Alexander A.; Tugarova, Anna V.; Antonyuk, Lyudmila P.; Tarantilis, Petros A.; Kulikov, Leonid A.; Perfiliev, Yurii D.; Polissiou, Moschos G.; Gardiner, Philip H.E.

    2006-01-01

    In biosciences and biotechnology, the expanding application of physicochemical approaches using modern instrumental techniques is an efficient strategy to obtain valuable and often unique information at the molecular level. In this work, we applied a combination of vibrational (Fourier transform infrared (FTIR), FT-Raman) spectroscopic techniques, useful in overall structural and compositional analysis of bacterial cells of the rhizobacterium Azospirillum brasilense, with 57 Co emission Moessbauer spectroscopy (EMS) used for sensitive monitoring of metal binding and further transformations in live bacterial cells. The information obtained, together with ICP-MS analyses for metals taken up by the bacteria, is useful in analysing the impact of the environmental conditions (heavy metal stress) on the bacterial metabolism and some differences in the heavy metal stress-induced behaviour of non-endophytic (Sp7) and facultatively endophytic (Sp245) strains. The results show that, while both strains Sp7 and Sp245 take up noticeable and comparable amounts of heavy metals from the medium (0.12 and 0.13 mg Co, 0.48 and 0.44 mg Cu or 4.2 and 2.1 mg Zn per gram of dry biomass, respectively, at a metal concentration of 0.2 mM in the medium), their metabolic responses differ essentially. Whereas for strain Sp7 the FTIR measurements showed significant accumulation of polyhydroxyalkanoates as storage materials involved in stress endurance, strain Sp245 did not show any major changes in cellular composition. Nevertheless, EMS measurements showed rapid binding of cobalt(II) by live bacterial cells (chemically similar to metal binding by dead bacteria) and its further transformation in the live cells within an hour

  11. Instrumental analysis of bacterial cells using vibrational and emission Moessbauer spectroscopic techniques

    Energy Technology Data Exchange (ETDEWEB)

    Kamnev, Alexander A. [Laboratory of Biochemistry of Plant-Bacterial Symbioses, Institute of Biochemistry and Physiology of Plants and Microorganisms, Russian Academy of Sciences, 410049 Saratov (Russian Federation)]. E-mail: aakamnev@ibppm.sgu.ru; Tugarova, Anna V. [Laboratory of Biochemistry of Plant-Bacterial Symbioses, Institute of Biochemistry and Physiology of Plants and Microorganisms, Russian Academy of Sciences, 410049 Saratov (Russian Federation); Antonyuk, Lyudmila P. [Laboratory of Biochemistry of Plant-Bacterial Symbioses, Institute of Biochemistry and Physiology of Plants and Microorganisms, Russian Academy of Sciences, 410049 Saratov (Russian Federation); Tarantilis, Petros A. [Laboratory of Chemistry, Department of Science, Agricultural University of Athens, 11855 Athens (Greece); Kulikov, Leonid A. [Laboratory of Nuclear Chemistry Techniques, Department of Radiochemistry, Faculty of Chemistry, M.V. Lomonosov Moscow State University, 119992 Moscow (Russian Federation); Perfiliev, Yurii D. [Laboratory of Nuclear Chemistry Techniques, Department of Radiochemistry, Faculty of Chemistry, M.V. Lomonosov Moscow State University, 119992 Moscow (Russian Federation); Polissiou, Moschos G. [Laboratory of Chemistry, Department of Science, Agricultural University of Athens, 11855 Athens (Greece); Gardiner, Philip H.E. [Division of Chemistry, School of Science and Mathematics, Sheffield Hallam University, Sheffield S1 1WB (United Kingdom)

    2006-07-28

    In biosciences and biotechnology, the expanding application of physicochemical approaches using modern instrumental techniques is an efficient strategy to obtain valuable and often unique information at the molecular level. In this work, we applied a combination of vibrational (Fourier transform infrared (FTIR), FT-Raman) spectroscopic techniques, useful in overall structural and compositional analysis of bacterial cells of the rhizobacterium Azospirillum brasilense, with {sup 57}Co emission Moessbauer spectroscopy (EMS) used for sensitive monitoring of metal binding and further transformations in live bacterial cells. The information obtained, together with ICP-MS analyses for metals taken up by the bacteria, is useful in analysing the impact of the environmental conditions (heavy metal stress) on the bacterial metabolism and some differences in the heavy metal stress-induced behaviour of non-endophytic (Sp7) and facultatively endophytic (Sp245) strains. The results show that, while both strains Sp7 and Sp245 take up noticeable and comparable amounts of heavy metals from the medium (0.12 and 0.13 mg Co, 0.48 and 0.44 mg Cu or 4.2 and 2.1 mg Zn per gram of dry biomass, respectively, at a metal concentration of 0.2 mM in the medium), their metabolic responses differ essentially. Whereas for strain Sp7 the FTIR measurements showed significant accumulation of polyhydroxyalkanoates as storage materials involved in stress endurance, strain Sp245 did not show any major changes in cellular composition. Nevertheless, EMS measurements showed rapid binding of cobalt(II) by live bacterial cells (chemically similar to metal binding by dead bacteria) and its further transformation in the live cells within an hour.

  12. Spectroscopic techniques (Moessbauer spectrometry, NMR, ESR...) as tools to resolve doubtful NMR images: Study of the craniopharyngioma tumor

    International Nuclear Information System (INIS)

    Rimbert, J.N.; Dumas, F.; Lafargue, C.; Kellershohn, C.; Brunelle, F.; Lallemand, D.

    1990-01-01

    Craniopharyngioma, an intracranial tumor, exhibits hyperintensity in the Spin-Echo-T 2 -NMR image and a hyposignal in the SE-T 1 -image. However, in some cases (15-20% cases), hypersignals are seen in both SE-T 1 and T 2 -MRI. Using spectroscopic techniques, Moessbauer spectrometry in particular, we have demonstrated that the T 1 hypersignal is due to ferritin, dissolved in the cystic liquid, after tumor cell lysis, in the course of time. Other possible reasons inducing a shortening of the T 1 relaxation time (presence of lipids, intratumoral hemorrhage) have been rejected. (orig.)

  13. 57Fe Moessbauer spectroscopic characterisation of a ferromanganese nodule from the Central Indian Ocean

    International Nuclear Information System (INIS)

    Dutta, R.K.; Chakravortty, V.

    1997-01-01

    The iron bearing phases present in a ferromanganese nodule from the Central Indian Ocean have been determined using 57 Fe Moessbauer spectroscopy. The Moessbauer results have been corroborated by XRD, IR and TG-DTA studies. The Moessbauer spectrum of a ferromanganese nodule shows a broad line width which indicates the presence of more than one iron bearing paramagnetic oxide or oxyhydroxide phases where iron is present as Fe 3+ . γ-FeOOH has been distinctly characterised as one of the iron bearing phases in the nodule. Other oxyhydroxide and oxide phases of iron in the nodule have been ruled out. A typical paramagnetic doublet persists even at very high temperature which has been proposed to be due to iron(III)phosphate. Formation of solid solution of Mn 2 O 3 -Fe 2 O 3 has been observed in the heat treated nodule at 1073 K, which has been characterised by the Moessbauer technique. (author)

  14. Moessbauer spectroscopic study of iron in Japanese cedar bark (Paper No. HF-02)

    International Nuclear Information System (INIS)

    Singh, T.B.; Ichikuni, M.

    1990-02-01

    The bark samples of Japanese cedar collected from mountainous and urban areas were characterised by Moessbauer spectroscopy. The Moessbauer spectra showed that iron in the bark samples was distributed among paramagnetic Fe 2+ , Fe 3+ and magnetic iron and their relative abundance changed appreciably from one area to other. Further, low Fe 2+ /Fe 3+ ratio and high magnetic iron in urban samples indicated an influence of human activities. (author). 1 tab., 1 fig

  15. Microscopic studies of a SnO2/α-Fe2O3 architectural nanocomposite using Moessbauer spectroscopic and magnetic measurements

    International Nuclear Information System (INIS)

    Hayashi, Naoaki; Muranaka, Shigetoshi; Yamamoto, Shinpei; Takano, Mikio; Zhang Dongfeng; Sun Lingdong; Yan Chunhua

    2008-01-01

    A SnO 2 /α-Fe 2 O 3 architectural nanocomposite, which was evidenced as SnO 2 nanorod arrays assembled on the surface of α-Fe 2 O 3 nanotubes in our previous study, was investigated microscopically by means of Moessbauer spectroscopic and magnetic measurements. It was found for the SnO 2 nanorods that Fe 3+ ions substituted slightly to Sn 0.998 Fe 0.002 O 2 . Concerning the α-Fe 2 O 3 tubes, the Morin transition, which was completely suppressed in the mother, SnO 2 -free α-Fe 2 O 3 nanotubes, was found to be recovered locally. We speculate that it takes place in the interface area as a result of structural modification needed for the connection with the SnO 2 nanorods. - Graphic abstract: 57 Fe Moessbauer spectrum of SnO 2 /α-Fe 2 O 3 architectural nanocomposite evidenced as SnO 2 nanorod arrays assembled on the surface of α-Fe 2 O 3 nanotubes. (I: Fe-doped SnO 2 nanorods, II: α-Fe 2 O 3 nanotubes) It was found for the SnO 2 nanorods that Fe 3+ ions substituted slightly to Sn 0.998 Fe 0.002 O 2

  16. An iron-57 Moessbauer spectroscopic study of titania-supported iron- and iron-iridium catalysts

    International Nuclear Information System (INIS)

    Berry, F.J.; Jobson, S.

    1992-01-01

    57 Fe Moessbauer spectroscopy shows that titania-supported iron is reduced by treatment in hydrogen at significantly lower temperatures than corresponding silica- and alumina-supported catalysts. The metallic iron formed under hydrogen at 600deg C is partially converted to carbide by treatment in carbon monoxide and hydrogen. In contrast to its alumina- and silica-supported counterparts, the remainder of the titania-supported iron is unchanged by this gaseous mixture. The 57 Fe Moessbauer spectra of EXAFS show that iron and iridium in the titania-supported iron-iridium catalysts are reduced in hydrogen at even lower temperatures and, after treatment at 600deg C, are predominantly present as the iron-iridium alloy. The treatment of these reduced catalysts in carbon monoxide and hydrogen is shown by Moessbauer spectroscopy and EXAFS to induce the segregation of iron from the iron-iridium alloy and its conversion to iron oxide. (orig.)

  17. Moessbauer spectroscopic evidence for iron(III) complexation and reduction in acidic aqueous solutions of indole-3-butyric acid

    International Nuclear Information System (INIS)

    Kovacs, K.; Kuzmann, E.; Vertes, A.; Kamnev, A.A.; Shchelochkov, A.G.; Medzihradszky-Schweiger, H.; Mink, J.; Hungarian Academy of Sciences, Budapest

    2004-01-01

    Moessbauer spectroscopic studies were carried out in acidic (pH 2.3) 57 Fe III nitrate containing aqueous solutions of indole-3-butyric acid (IBA), rapidly frozen in liquid nitrogen at various periods of time after mixing the reagents. The data obtained show that in solution in the presence of IBA, iron(III) forms a complex with a dimeric structure characterised by a quadrupole doublet, whereas without IBA under similar conditions iron(III) exhibits a broad spectral feature due to a slow paramagnetic spin relaxation which, at liquid nitrogen temperature, results in a large anomalous line broadening (or, at T = 4.2 K, in a hyperfine magnetic splitting). The spectra of 57 Fe III +IBA solutions, kept at ambient temperature under aerobic conditions for increasing periods of time before freezing, contained a gradually increasing contribution of a component with a higher quadrupole splitting. The Moessbauer parameters for that component are typical for iron(II) aquo complexes, thus showing that under these conditions gradual reduction of iron(III) occurs, so that the majority (85%) of dissolved iron(III) is reduced within 2 days. The Moessbauer parameters for the iron(III)-IBA complex in aqueous solution and in the solid state (separated from the solution by filtration) were found to be similar, which may indicate that the dissolved and solid complexes have the same composition and/or iron(III) coordination environment. For the solid complex, the data of elemental analysis suggest the following composition of the dimer: [L 2 Fe-(OH) 2 -FeL 2 ] (where L is indole-3-butyrate). This structure is also in agreement with the data of infrared spectroscopic study of the complex reported earlier, with the side-chain carboxylic group in indole-3-butyrate as a bidentate ligand. The Moessbauer parameters for the solid 57 Fe III -IBA complex at T = 80 K and its acetone solution rapidly frozen in liquid nitrogen were virtually identical, which indicates that the complex retains its

  18. Thermal Transformations of Iron Cations in the System Metal-Vitreous Enamel Coat. Moessbauer Spectroscopic Study

    International Nuclear Information System (INIS)

    Barcova, K.; Mashlan, M.; Zboril, R.; Hrabovska, K.

    2005-01-01

    Vitreous enameling on steel is carried out to provide a protective layer against chemical corrosion from the surrounding environment. The glass bonds with the steel to form a composite material. The Moessbauer spectroscopy was firstly applied to study the vitreous enameling in which the complex of processes, as diffusion of species, adhesion between the glass and the steel, galvanic reactions, plays an important role. The Moessbauer spectroscopy provides unique information about the Fe-phase structure of the vitreous enamel layer and that of the steel-enamel interface. Diffusion of iron from steel surface towards enamel layer and formation of a new Fe2+ phase was proved

  19. Moessbauer Spectroscopic Study of a Mural Painting from Morgadal Grande, Mexico

    International Nuclear Information System (INIS)

    Kuno, A.; Matsuo, M.; Soto, A. Pascual; Tsukamoto, K.

    2004-01-01

    In this study, 57 Fe Moessbauer spectroscopy has been applied to fragments of a mural painting excavated at Morgadal Grande, Mexico, to characterize the pigments used. A sextet attributable to hematite (α-Fe 2 O 3 ) was clearly detected in the red fragments. The spectra of orange fragments showed a doublet attributable to paramagnetic high-spin Fe 3+ , which presumably originates from goethite (α-FeOOH) exhibiting superparamagnetic relaxation due to its small particle size. The blue fragments contained little iron. The scattered X-ray Moessbauer spectra revealed that the thickness of the pigments was larger than 20 μm.

  20. Distribution of iron cations in natural chromites at different stages of oxidation: a {sup 57}Fe Moessbauer investigation

    Energy Technology Data Exchange (ETDEWEB)

    Pal, Tapan; Mitra, Sachinath [Jadavpur Univ., Calcutta (India). Dept. of Geological Sciences; Moon, Hi-Soo [Yonsei Univ., Seoul (Korea, Republic of). Dept. of Geology

    1994-07-01

    {sup 57}Fe Moessbauer spectroscopic investigation of natural chromites from two chromite deposits of India (Sukinda and Byrapur) documents partly inverse spinel structure arising out of oxidation. The spectral fitting was based on allowing a disordering distribution of Fe{sup 2+} and Fe{sup 3+} ions at tetrahedral (A) and octahedral (B) sites. Moessbauer investigation of the samples taken from the physico-chemically distinct two horizons of Sukinda viz. brown ore and grey ores, and Byrapur area revealed three types of iron ion distribution as: Fe{sup 2+}(A), Fe{sup 3+}(A) and Fe{sup 2+}(B) (GC-group); (b)Fe{sup 3+}(A{sub 1}), Fe{sup 3+}(A{sub 2}) and Fe{sup 2+}(B) (BC-2 group), and (c) Fe{sup 3+}(A{sub 1}), Fe{sup 3+}(B) (BC-1 group). The distribution pattern of iron cations at A and B sites was linked to the degree of oxidation. These stages of oxidation could be modelled from normal to inverse form. A model suggesting `electron localisation` at the B-sites makes the intermediate stage. Iron site occupancy determined by Moessbauer spectroscopy of the presently studied samples indicates that these fall under three groups of oxidation stages. An early stage of oxidation is shown by samples of group GC, intermediate stage by group BC-2 and final stage by BC-1 group of chromite samples. The imprint of progressive oxidation manifested by Fe cation site occupancy has been correlated with the Fe{sup 2+}/{Sigma}Fe ratios, obtained for each group of samples. (author). 39 refs., 2 figs., 3 tabs.

  1. Using Moessbauer spectroscopy as key technique in the investigation of nanosized magnetic particles for drug delivery

    Energy Technology Data Exchange (ETDEWEB)

    Morais, P. C., E-mail: pcmor@unb.br [Universidade de Brasilia, Nucleo de Fisica Aplicada, Instituto de Fisica (Brazil)

    2008-01-15

    This paper describes how cobalt ferrite nanoparticles, suspended as ionic or biocompatible magnetic fluids, can be used as a platform to built complex nanosized magnetic materials, more specifically magnetic drug delivery systems. In particular, the paper is addressed to the discussion of the use of the Moessbauer spectroscopy as an extremely useful technique in supporting the investigation of key aspects related to the properties of the hosted magnetic nanosized particle. Example of the use of the Moessbauer spectroscopy in accessing information regarding the nanoparticle modification due to the empirical process which provides long term chemical stability is included in the paper.

  2. Moessbauer and magnetic investigation of Fe-Mn alloy

    International Nuclear Information System (INIS)

    Yousif, A.A.

    1994-01-01

    Moessbauer, X-ray, magnetization and susceptibility measurements were performed to study Fe 100-x Mn x , x = 5, 15, 39, 50. The different phases of Fe-Mn were identified, and hyperfine interaction parameters and average magnetic moments of some samples were determined. The average hyperfine field and average magnetic moment decrease as x increases. The influence of the Mn neighbourhood on the derived parameters is discussed in the light of calculations using the first principle discrete variational method in the local density approximation. (orig.)

  3. Progress in Investigation of WWER-440 Reactor Pressure Vessel Steel by Gamma and Moessbauer Spectroscopy

    International Nuclear Information System (INIS)

    Hascik, J.; Slugen, V.; Lipka, J.; Hinca, R.; Toth, I.; Groene, R.; Uvacik, P.; Kupca, L.

    1998-01-01

    Gamma spectroscopic analyse and first experimental results of original irradiated reactor pressure vessel surveillance specimens are discussed in. In 1994, the new ''Extended Surveillance Specimen Program for nuclear Reactor Material Study'' was started in collaboration with the nuclear power plants (NPP) V-2 Bohunice (Slovakia). The first batch of MS samples (after 1 year, which is equivalent to 5 years of loading RPV-steel) was measured and interpreted using the new four components approach with the aim to observe microstructural changes due to thermal and neutron treatment resulting from operating conditions in NPP. The systematic changes in the relative areas of Moessbauer spectra components were observed. (author)

  4. Crystal chemistry and Moessbauer spectroscopic analysis of clays around Riyadh for brick industry

    Energy Technology Data Exchange (ETDEWEB)

    Khalil, Mutasim I., E-mail: mkhalil@ksu.edu.sa [King Saud University, Department of Chemistry, College of Science (Saudi Arabia)

    2013-04-15

    A total of 30 clay samples were collected from the area around Riyadh city, Saudi Arabia. A complete chemical analysis was carried out using different techniques. X-ray diffraction studies showed that the clay samples were mainly of the smectite group with traces of the kaolinite one. The samples studied were classified as nontronite clay minerals. One of the clay fraction has been studied by Moessbauer spectroscopy as raw clay fraction and after being fired at 950-1,000 Degree-Sign C. The Moessbauer spectra showed accessory iron compounds in the form of hematite and goethite. The structural iron contents disintegrate on firing transforming into magnetic iron oxide and a paramagnetic small particles iron oxide.

  5. Investigation of iron-containing complexes of deoxyribonucleic acid nucleosides by Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Greguskova, M.; Novotny, J.; Cernohorsky, I.; Cirak, J.

    1975-01-01

    DNA and nucleoside complexes with ferric and ferrous ions were investigated for the concentration of iron ions, ionic strength, temperature, and the nature and spatial configuration of neighbouring atoms of the iron ions in the complexes. Moessbauer spectroscopy was used. The Moessbauer measurements were conducted on lyophilized samples at room temperature (300 K) and on frozen solutions at liquid nitrogen temperature (77 K). Quadrupole splitting was found in all spectra obtained by a Pd(Co) source, with the exception of thymidine, thus indicating that the formation of complexes had not affected the oxidation state of iron ions. A decrease in isomer shift and an increase in quadrupole splitting were found in all spectra obtained by an iron(III) chloride source as well as in all spectra obtained by an iron chloride tetrahydrate source. UV irradiation of the samples prior to the Moessbauer measurements was found to have no effect on the Moessbauer spectra but to result in changes in the oxidation state of iron ions, mainly their valency and the ferrous/ferric ion ratio. The results are shown in a table and in graphs. (L.O.)

  6. Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Gonser, U.

    1975-01-01

    This book is addressed to persons interested in learning about what has been done and what can be done with Moessbauer spectroscopy. In an introductory chapter the basic principle is explained and the general parameters governing Moessbauer spectroscopy are tabulated. For the following chapters various disciplines are chosen and the wide applicability of this measuring technique is demonstrated. The second chapter discusses a few representative examples of chemical interesting information being reflected by isomer shifts and quadrupole splittings, particularly with respect to bonding and structural properties. The third chapter deals with some applications of Moessbauer spectroscopy for characterizing magnetic compounds and its use for magnetic structure investigations, particularly by making use of polarized radiation. The fourth chapter describes the use of the Moessbauer spectroscopy for studying iron in biological molecules. As an example of recent applications to mineralogy and geology the results of the studies of lunar samples are reviewed in the fifth chapter. Finally, in the last chapter, work is described on the use of Moessbauer spectroscopy in physical metallurgy, particularly quantitative analyses which have enabled metallurgists to solve many old problems. (orig./FW) [de

  7. Magnetic and Moessbauer-spectroscopic studies of iron-clusters in zeolites. [Reduction of ferrous ions

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, F; Gunsser, W; Knappwost, A [Hamburg Univ. (F.R. Germany). Inst. fuer Physikalische Chemie

    1975-12-01

    Iron clusters have been prepared within zeolite holes by reduction of zeolites containing ferrous ions. The diameter of these particles must therefore be smaller that 13 A. They are superparamagnetic and their Moessbauer spectra show no HFS, even at 4K. The temperature dependence of the magnetic susceptibility of the unreduced zeolites obeys a Curie-Weiss law with p/sub eff/ = 4.45 ..mu..B and THETA = 105K. The Weiss curves of the reduced samples lie distinctly below those of the bulk material.

  8. Atomic and nuclear analytical methods. XRF, Moessbauer, XPS, NAA and ion-beam spectroscopic techniques

    International Nuclear Information System (INIS)

    Verma, H.R.

    2007-01-01

    This book is a blend of analytical methods based on the phenomenon of atomic and nuclear physics. It comprises comprehensive presentations about X-ray Fluorescence (XRF), Moessbauer Spectroscopy (MS), X-ray Photoelectron Spectroscopy (XPS), Neutron- Activation Analysis (NAA), Particle Induced X-ray Emission Analysis (PIXE), Rutherford Backscattering Analysis (RBS), Elastic Recoil Detection (ERD), Nuclear Reaction Analysis (NRA), Particle Induced Gamma-ray Emission Analysis (PIGE), and Accelerator Mass Spectrometry (AMS). These techniques are commonly applied in the fields of medicine, biology, environmental studies, archaeology or geology et al. and pursued in major international research laboratories. (orig.)

  9. High field Moessbauer and magnetic investigations of Pr0.73Fe4Sb12

    International Nuclear Information System (INIS)

    Reissner, Michael; Bauer, Ernst; Steiner, Walter; Rogl, Peter

    2004-01-01

    In accordance with the filling factor determined by X-ray investigations two Fe sites were identified in the in-field 57 Fe Moessbauer spectra. The derived internal fields at 4.2 K were small (0.35 and 1.45 T at external fields of 13.5 T), whereas from magnetic measurements μ eff ∼2.7 μ B was estimated for the Fe 4 Sb 12 -sublattice

  10. Moessbauer spectroscopic study of corrosion products beneath primer coating containing anticorrosive pigments

    International Nuclear Information System (INIS)

    Kumar, A.V.R.; Nigam, R.K.

    1998-01-01

    The phase analysis of the rusts generated beneath the primer containing micaceous iron oxide (MIO) and micaceous iron oxide in combination with red lead (RL), zinc phosphate (ZP), basic lead silicochromate (BLSC) and zinc chromate (ZC) has been carried out by Moessbauer spectroscopy at room temperature. The rust beneath the coating obtained after immersion of the painted panel for six months in 3% NaCl, consists mainly of non-stoichiometric magnetite together with small fractions of γ-, α-FeOOH except in the case of panel painted with RL containing MIO showed only a central doublet indicating the formation of γ-FeOOH and SPM α-FeOOH. Non-stoichiometry of magnetite as calculated from the ratio of B/A sites of the peaks of magnetite in the spectrum has been found depending on the nature of anticorrosive pigment present in the primer coating. The order of non-stoichiometry has been found to be in order of ZC > BLSC > ZP > MIO. (author)

  11. Iron-57 and iridium-193 Moessbauer spectroscopic studies of supported iron-iridium catalysts

    International Nuclear Information System (INIS)

    Berry, F.J.; Jobson, S.

    1988-01-01

    57 Fe and 193 Ir Moessbauer spectroscopy shows that silica- and alumina-supported iron-iridium catalysts formed by calcination in air contain mixtures of small particle iron(III) oxide and iridium(IV) oxide. The iridium dioxide in both supported catalysts is reduced in hydrogen to metallic iridium. The α-Fe 2 O 3 in the silica supported materials is predominantly reduced in hydrogen to an iron-iridium alloy whilst in the alumina-supported catalyst the iron is stabilised by treatment in hydrogen as iron(II). Treatment of a hydrogen-reduced silica-supported iron catalyst in hydrogen and carbon monoxide is accompanied by the formation of iron carbides. Carbide formation is not observed when the iron-iridium catalysts are treated in similar atmospheres. The results from the bimetallic catalysts are discussed in terms of the hydrogenation of associatively adsorbed carbon monoxide and the selectivity of supported iron-iridium catalysts to methanol formation. (orig.)

  12. [sup 57]Fe Moessbauer spectroscopic studies of the ferrocene molecular reorientation in AlPO[sub 4]-5 and AlPO[sub 4]-8 frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Lund, A.; Nicholson, D.G. (Department of Chemistry, University of Trondheim, Dragvoll (Norway)); Parish, R.V.; Wright, J.P. (Department of Chemistry, UMIST, Manchester (United Kingdom))

    1994-01-01

    [sup 57]Fe Moessbauer spectroscopic studies were carried out on ferrocene guest molecules in some microporous aluminium phosphate host lattices in order to investigate their behaviour in the aluminium phosphate channels. The 300 K spectra show broad single lines with isomer shifts of 0.39 and 0.41 mm s[sup -1] relative to iron for AlPO[sub 4]-5:ferrocene and AlPO[sub 4]-8:ferrocene inclusion compounds, respectively. The absence of quadrupole splittings for these materials contrasts with the large quadrupole splitting observed for ferrocene itself at the same temperature. The low-temperature spectrum (20 K) for AlPO[sub 4]-5:ferrocene shows a doublet with quadrupole splitting of 2.37 mm s[sup -1] and an isomer shift of 0.55 mm s[sup -1]. The collapse of the quadrupole splitting at room temperature is consistent with the ferrocene molecules rotating within the channels. (au).

  13. A Moessbauer spectroscopic study on the action of Ce in the catalyst for dehydrogenation of etylbenzene to styrene

    Energy Technology Data Exchange (ETDEWEB)

    Jiang Keyu, E-mail: keyujiang@126.com [East China Normal University, Department of Physics (China); Fan Qin; Chen Tong; Miao Changxi [Shanghai Research Institute of Petrochemical Technology, SINOPEC (China); Zhao Zhenji; Yang Xielong [East China Normal University, Department of Physics (China)

    2012-03-15

    Two series of Fe-K catalysts for dehydrogenation of ethylbenzene to styrene were prepared with different amounts and different compounds of the additional element Ce. Moessbauer spectroscopy has been used to determine the Fe compound in the catalyst and to investigate the effect of Ce. The catalytic properties of the catalysts have also been measured. The results show that the element Ce in the catalyst is favorable to form the predecessor of the catalytic active phase, the compound KFe{sub 11}O{sub 17} and that the optimal percentage of CeO{sub 2} is 8%{approx}15% in the catalyst which is favorable to the formation of KFe{sub 11}O{sub 17} and to get better catalytic properties.

  14. Starting material radiation source for Moessbauer investigations of tellurium compounds

    International Nuclear Information System (INIS)

    Alexandrov, A.J.; Grushko, J.S.; Makarov, E.F.; Mishin, K.Y.; Baltrunas, D.A.J.

    1977-01-01

    A method is described of preparing a radiation source for Mossbauer investigations of tellurium compounds manufactured on the basis of 5 MgO . Te 124 O 3 . 5 MgO . Te 124 O 3 is irradiated in a reactor by means of thermal neutrons, followed by annealing at a temperature ranging from 600 0 to 1,100 0 C for a period of from 5 to 10 hours

  15. Investigation of the chemical effects of nuclear transformations by Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Nagy, G.A.

    1978-01-01

    Moessbauer spectroscopy proved to be a very successful method for the investigation of the effect of nuclear transformations in solid matrixes. This method makes possible the observation of the atoms to be investigated without the dissolution of the sample i.e. without interfering with the eventual intermediates or their environment, ensuring thus ''in situ'' analysis. The method besides the informations concerning the chemical state of the derivative gives data concerning its immediate environment and its site in the crystal lattice. Products having a very short lifetime can be observed, too. Though the method is suitable only for the investigation of such nucleogenetic nuclei which are at the same time also Moessbauer atoms, the method has several times given fundamental information on the chemical and crystal-structural effects of transformations in solid compounds. Isotopes from nuclear reactions are in general pushed back at a high kinetical energy during their formation, and the method makes possible to deduce the consequences of this push-back effect and of radioactive decays and nuclear reactions. A separate chapter summarizes the recent statements concerning the consequences of the electron capture in solid cobalt compounds, the consequences of the isomer transition of Sn-119 in solid tin compounds etc. (P.J.)

  16. Application of 119Sn Moessbauer spectroscopy to investigations of RET2-X2-type phases

    International Nuclear Information System (INIS)

    Goerlich, E.

    1991-01-01

    Moessbauer spectroscopy of 119 Sn is an effective tool to study nuclear hyperfine interactions which in turn are important as a source of information complementary to that supplied by ''classical'' methods. However, particularly when the effects are subtle, experimental conditions as well as data analysis should be handled with care. The attention is devoted primarily to the finite absorber thickness effects. As examples serve our recent results obtained from investigations of ternary tetragonal phases of RET 2 X 2 -type. In EuPd 2 Si 2 mixed valent system 119 Sn was used as probe which detects the influence of Eu-valency change at a distant site of Si. Electrical resistivity measurements in CeNi 2 Sn 2 may indicate a Kondo-type behaviour while Moessbauer effect leads to the conclusion in favour of a magnetically ordered state. The analysis of resonance absorption spectra of CeAg 2 Sn 2 using a full transmission integral indicates the presence of a metallic β-tin in the sample, while data fitting within the thin absorber approximation has lead to the opposite conclusion. Neither in CeNi 2 Sn 2 nor in ErNi 2 Sn 2 the temperature dependence of the recoil free factors alone cannot explain the observed broadening of spectra at low temperatures. (author). 14 refs, 13 figs

  17. Moessbauer investigation of characteristic distribution of iron oxides in sediments from the Antarctica

    International Nuclear Information System (INIS)

    Kuzmann, E.; Homonnay, Z.; Vertes, A.; Garg, V.K.; De Oliveira, A.C.; De Souza Junior, P.A.; Schuch, L.A.

    2000-01-01

    Sediments from the Admirally Bay, King George Island, Antarctica, were investigated by 57 Fe Moessbauer spectroscopy, X-ray diffractometry, and radiometry. Quartz, feldspar, chlorite, calcite, dolomite, mica, kaolinite, hematite and magnetite were identified as constituent minerals in the sediment samples. The phase composition and the iron distribution among the crystallographic sites of iron-bearing minerals (silicates, magnetite and hematite) of samples from different location have been derived from the complex Moessbauer spectra. At different locations sediments has significant characteristic differences in the mineral composition, in the iron distribution among the crystallographic site of silicates, and in the specific radioactivity of Cs radionuclides. These results indicate differences in the rock formation and alteration by the sediments in this maritime part of Antarctica. There is a much higher amount of iron oxides in the sediments from south part of the geological fault across the Admirally Bay than in the north part. This can be associated with much more alteration in the rocks in the south part compared to the northern one. This finding can contribute to the question of the history of the formation and alteration of volcanic rocks in the border of Antarctica. (author)

  18. Application of the Moessbauer spectroscopy to the investigation of the proton irradiation effects in several iron compounds

    International Nuclear Information System (INIS)

    Kopcewicz, M.; Kotlicki, A.

    1975-01-01

    The results of a study into the influence of proton irradiation on the Moessbauer effect in FeSO 4 x 7H 2 O, K 4 [Fe(CN) 6 ] x 3H 2 O and K 3 [Fe(CN) 6 ] are reported. In the interpretation of the effect observed, the 'spike' model was applied. Chemical decomposition processes due to proton irradiation and formation of the superparamagnetic state of metallic iron were investigated. A Moessbauer observation of interstitial Fe 2+ ions in irradiated FeSO 4 x 7H 2 O was made. (Z.S.)

  19. Mid-infrared spectroscopic investigation

    International Nuclear Information System (INIS)

    Walter, L.; Vergo, N.; Salisbury, J.W.

    1987-01-01

    Mid-infrared spectroscopic research efforts are discussed. The development of a new instrumentation to permit advanced measurements in the mid-infrared region of the spectrum, the development of a special library of well-characterized mineral and rock specimens for interpretation of remote sensing data, and cooperative measurements of the spectral signatures of analogues of materials that may be present on the surfaces of asteroids, planets or their Moons are discussed

  20. Investigation of the critical scattering at the structural phase transition in RbCaF/sub 3/ using Moessbauer diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Maetz, J; Butt, N M; Jex, H; Muellner, M [Frankfurt Univ. (Germany, F.R.). Inst. fuer Kernphysik

    1979-01-01

    The critical scattering near the phase transition of RbCaF/sub 3/ from its cubic to the tetragonal structure at Tsub(c)=196 K is investigated. Moessbauer diffraction is applied to separate elastic and inelastic scattering intensities with energy resolution of 60 neV. The influence of domains is shown from X-ray diffraction.

  1. Investigation of the Morin transition in α-Fe2O3 by the Moessbauer effect

    International Nuclear Information System (INIS)

    Tobler, L.; Kuendig, W.; Savic, I.

    1981-01-01

    Hematite (α-Fe 2 O 3 ) is an antiferromagnet with the corundum structure D 63 sub(d). Below the Morin temperature (Tsub(M) approx. equal to 260 K) the Fe-spins are parallel to the trigonal axis. Between Tsub(M) and the Neel temperature (Tsub(N) = 960 K), the spins lie in the basal plane. A small angle between the spins of the two magnetic sublattices leads to a weak ferromagnetism at T > Tsub(M). In the experiment to be described the Morin transition was investigated by the Moessbauer effect. This work was stimulated by μSR-investigations on α-Fe 2 O 3 . (orig.)

  2. Aspartic acid interaction with cobalt(II) in dilute aqueous solution: A {sup 57}Co emission Moessbauer spectroscopic study

    Energy Technology Data Exchange (ETDEWEB)

    Kamnev, Alexander A.; Tugarova, Anna V. [Institute of Biochemistry and Physiology of Plants and Microorganisms, Russian Academy of Sciences (Russian Federation); Kovacs, Krisztina; Homonnay, Zoltan, E-mail: homonnay@ludens.elte.hu; Kuzmann, Erno; Vertes, Attila [Eoetvoes Lorand University, Institute of Chemistry (Hungary)

    2012-03-15

    Emission ({sup 57}Co) Moessbauer spectra of the aspartic acid-{sup 57}CoCl{sub 2} system were measured at T = 80 K in frozen aqueous solution and in the form of a dried residue of this solution. The Moessbauer spectra, besides a weak contribution from after-effects, showed two Fe{sup 2 + }/Co{sup 2 + } components which were ascribed to octahedrally and tetrahedrally coordinated {sup 57}Co{sup II} microenvironments in the Asp-cobalt(II) complex. This dual coordination mode may be due to the involvement of the second terminal carboxylic group of aspartic acid in the coordination sphere of Co.

  3. Investigation into iron moessbauer atom state in a deformed iron-manganese alloys

    International Nuclear Information System (INIS)

    Mints, R.I.; Semenkin, V.A.; Shevchenko, Yu.A.

    1977-01-01

    A plastically deformed Fe + 12 at. %. Mn alloy was investigated by the method of nuclear gamma-resonance on Fe 57 nuclei. The specimens were deformed by 5 to 57 %. The obtained nuclear gamma-resonance spectra, which are a superposition of the paramagnetic single line (ν-phase) and the Zeeman splitting line (α-phase), were statistically processed with the aid of a computer. The behaviour of the values of Moessbauer parameters possessing a least dispersion, such as isomer chemical shift, quadrupolar reaction constant, effectiveness of magnetic field and of area of the nuclear gamma-resonance spectrum, points to their connection with the degree of the deformation disintegration of the initial solid solution

  4. Moessbauer Spectroscopy: Elegance and versatility in chemical diagnostics

    Energy Technology Data Exchange (ETDEWEB)

    Guetlich, Philipp; Garcia, Yann, E-mail: guetlich@uni-mainz.d [Unite de Chimie des Materiaux Inorganiques et Organiques, Departement de Chimie, Universite Catholique de Louvain, Place L. Pasteur 1, 1348 Louvain la Neuve (Belgium)

    2010-03-01

    Dedicated to Professor Rudolf Ludwig Moessbauer on the occasion of his 80th birthday. Soon after the discovery of the recoilless nuclear resonance fluorescence by Rudolf L. Moessbauer some fifty years ago a new spectroscopic technique developed quickly on the basis of this resonance phenomenon as an excellent tool for the investigation of materials through electric and magnetic hyperfine interactions between electrons and suitable Moessbauer nu-clides. Many disciplines of solid state research have benefited from applications of the new tool for non-destructive phase analysis. Chemists in particular have recognized the information that can be derived from Moessbauer spectra regarding oxidation and spin state, molecular symmetry, bonding properties, magnetism, dynamic phenomena such as spin state switching, electronic transfer processes and other phase fluctuations to name a few. This Keynote Lecture presents highlights of chemical applications of Moessbauer spectroscopy selected from work during the past five decades which will demonstrate the elegance and versatility of the technique in the hands of (not only) chemists, but materials scientists in the broadest sense. The retrospect begins with studies in the early sixties on simple oxides and coordination compounds, where Moessbauer spectroscopy played a decisive role in solving unanswered questions, and concludes with fascinating current discoveries on the Planet Mars and most recent developments in the use of synchrotron radiation for nuclear resonance scattering (NFS, NIS).

  5. 57Fe Moessbauer spectroscopic study of Japanese cedar bark - the variation in chemical states of iron due to influence of human activities

    International Nuclear Information System (INIS)

    Matsuo, Motoyuki; Kobayashi, Takaaki; Singh, T.B.; Tsurumi, Makoto; Ichikuni, Masami

    1992-01-01

    Chemical states of iron have been investigated by 57 Fe Moessbauer technique for the barks of Japanese cedar collected from urban and mountainous area of Japan. The Moessbauer spectra of all outer bark samples show two overlapping doublets and one sextet ascribable to paramagnetic ferrous, paramagnetic ferric and magnetic iron, respectively, whereas an inner bark sample consists only of the two doublets. The bark sample from urban area shows the higher relative amount of magnetic component and the smaller ferrous to ferric ratio. These features of iron species in the bark sample indicate that the bark sample can supply a more effective indicator of human activities than airborne particles collected directly by evaluation with an air sampler. (orig.)

  6. Resonance detection of Moessbauer radiation

    International Nuclear Information System (INIS)

    Morozov, V.V.

    1985-01-01

    The resonance detection method as compared with the usual method of registering Moessbauer spectra has a number of advantages, one of which is the increase of resolution of the Moessbauer spectrum. The method is based on the modulation of a secondary radiation of a converter tuned in the resonance with the Moessbauer gamma-quantum source. The resonance detection method with account of supression, secondary radiation outgoing from the converter is investigated. The converter represents a substrate enriched by the Moessbauer isotope placed either inside the gas counter, or coupled with any other detecting device. Analytical expressions for Moessbauer spectrum parameters: effect, area and width of the spectral line are derived. It is shown that the joint application of usual and resonance detection methods for registering the Moessbauer spectrum allows one to determine parameters of the source, converter and the investigated absorber

  7. Moessbauer spectroscopic evidence on the heme binding to the proximal histidine in unfolded carbonmonoxy myoglobin by guanidine hydrochloride

    Energy Technology Data Exchange (ETDEWEB)

    Harami, Taikan, E-mail: harami.taikan@jaea.go.jp [Japan Atomic Energy Agency (Japan); Kitao, Shinji; Kobayashi, Yasuhiro [Kyoto University, Research Reactor Institute (Japan); Mitsui, Takaya [Japan Atomic Energy Agency (Japan)

    2008-01-15

    The unfolded heme structure in myoglobin is controversial because of no chance of direct X-ray structure analyses. The unfolding of carbonmonoxy myoglobin (MbCO) by guanidine hydrochloride (GdnHCl) was studied by the Moessbauer spectroscopy. The spectra show the presence of a sort of spectrum in the unfolded MbCO, independent on the concentration of GdnHCl from 1 to 6 M and the increase of the fraction of unfolded MbCO, depending on the GdnHCl concentration. The isomer shift of the iron of heme in the unfolded MbCO was identified to be different from that of the native MbCO as the globin structure in Mb collapses under the unfolded conditions. This result and the existing related Moessbauer data proved that the heme in the unfolded MbCO may remain coordinated to the proximal histidine.

  8. Application of the Moessbauer effect in the investigation of mineral raw materials

    International Nuclear Information System (INIS)

    Benada, J.

    1973-01-01

    The application is described of a method for an improved resolution of complex experimental Moessbauer spectra. The method is based on the application of the speedy Fourier transformation. The efficiency is illustrated by the measured spectra and by the improved spectra obtained from them. The application of the Moessbauer effect is discussed in research on minerals of the isomorphous series enstatite-hypersthene and on amphiboles. (author)

  9. Spectroscopic investigations of neodymium cyclotriphosphates

    Energy Technology Data Exchange (ETDEWEB)

    Jouini, A.; Gacon, J.C.; Brenier, A.; Ferid, M.; Trabelsi-Ayadi, M

    2002-11-15

    In the framework of systematic investigations in the properties of rare-earth cyclotriphosphates, polycristalline samples of La{sub 1-x}Nd{sub x}P{sub 3}O{sub 9}{center_dot}3H{sub 2}O have been synthesized with x=5x10{sup -3}, 10{sup -2}, 5x10{sup -2}, 10{sup -1} and 1. Absorbance spectra were measured at 300 K in the 300-1000 nm region. Fluorescent emissions from the {sup 4}F{sub 3/2} multiplet were observed at 300 and 6 K under pulsed laser excitations in either the {sup 4}F{sub 7/2} or {sup 4}F{sub 3/2} multiplet and the decays of these emissions were measured. These decays are exponential with decay-times on the order of 100 ns for all values of x. No important lengthening is observed as either the Nd concentration is decreased from 100 to 0.5 at% or the temperature is lowered from 300 to 6 K. These results are in contradiction with those obtained for the anhydrous La{sub 1-x}Nd{sub x}(PO{sub 3}){sub 3} compounds prepared by progressively heating the corresponding La{sub 1-x}Nd{sub x}P{sub 3}O{sub 9}{center_dot}3H{sub 2}O powder materials, a fact which shows the predominant role played by the water molecules in the Nd{sup 3+} luminescence in the considered hydrated compounds.

  10. Moessbauer, TEM/SAED and XRD investigation on waste dumps of the Valea lui Stan gold mines

    Energy Technology Data Exchange (ETDEWEB)

    Constantinescu, Serban Grigore, E-mail: sconst@infim.ro [National Institute of Materials Physics, Bucharest-Magurele (Romania); Udubasa, Sorin S.; Udubasa, Gheorghe [University of Bucharest, Fac. of Geology and Geophysics (Romania); Kuncser, Victor; Popescu-Pogrion, Nicoleta; Mercioniu, Ionel; Feder, Marcel [National Institute of Materials Physics, Bucharest-Magurele (Romania)

    2012-03-15

    The complementary investigation techniques, Moessbauer spectroscopy, transmission electron microscopy with selected area electron diffraction (TEM/SAED), X-ray diffraction (XRD) have been used to investigate the fate of the Valea lui Stan, Romania, gold-ore nanoscale-minerals during the long time of residence in the waste dumps. The preliminary investigations showed such waste dumps to contain significant amount of metals which cannot be identified by conventional methods. An intense research activity started up in order to evaluate the possibilities to recycle Valea lui Stan waste dumps and to recover metals by chemical or phytoextraction procedures. The waste dumps naturally show different mineral constituents with clay minerals as major phases, observed by XRD-technique. Although the waste dumps materials have whitish-yellowish colours, MOeSSBAUER technique evidences the presence of the finely dispersed iron bearing minerals. The authors are focusing to inspect and analyze Fe-compounds in the samples collected from Valea lui Stan's waste dumps in order to identify the magnetic phases by Moessbauer technique.

  11. Moessbauer spectroscopic characterisation of catalysts obtained by interaction between tetra-n-butyl-tin and silica or silica supported rhodium

    International Nuclear Information System (INIS)

    Millet, J.M.M.; Toyir, J.; Didillon, B.; Candy, J.P.; Nedez, C.; Basset, J.M.

    1997-01-01

    Moessbauer spectroscopy at 78 K was used to study the interaction between tetra-n-butyl-tin and the surfaces of silica or silica supported rhodium. At room temperature, the tetra-n-butyl-tin was physically adsorbed on the surfaces. After reaction under hydrogen at 373 K, the formation of grafted organometallic fragments on the Rh surface was confirmed whereas with pure silica, ≡SiO-Sn(n-C 4 H 9 ) 3 moieties were observed. After treatment at 523 K, the rhodium grafted organometallic species was completely decomposed and there was formation of a defined bimetallic RhSn compound

  12. Moessbauer spectroscopic study of Fe{sup II}-doped sulphonated poly(ether-urethane)-styrene-acrylate copolymer

    Energy Technology Data Exchange (ETDEWEB)

    Kamnev, A. A. [Russian Academy of Sciences, Institute of Biochemistry and Physiology of Plants and Microorganisms (Russian Federation); Grigoryeva, O. P.; Fainleib, A. M. [National Academy of Sciences of Ukraine, Institute of Macromolecular Chemistry (Ukraine); Kuzmann, E., E-mail: kuzmann@ludens.elte.hu [Eoetvoes Lorand University, Institute of Chemistry (Hungary)

    2013-04-15

    Thermoplastic linear ionomer based on sulphonated poly(ether-urethane)-styrene-acrylate copolymer, doped with natural Fe{sup 2 + }, was studied by Moessbauer spectroscopy at T = 78 and 290 K to monitor the chemical state of Fe species. The Fe{sup 2 + } added to aqueous suspension of the system was only partly oxidised in the course of polymer film preparation and drying in air. The oxidised part comprised a magnetic phase ({approx}19 % of total Fe both at T = 78 and 298 K) and a quadrupole doublet ({approx}40 %), while Fe{sup II} (over 40 %) stabilised in two types of microenvironments.

  13. Moessbauer investigation of SnO under hydrostatic pressure up to 41 kbar

    International Nuclear Information System (INIS)

    Kapitanov, E.V.; Yakovlev, E.N.

    1979-01-01

    Influence of hydrostatic pressure, P, on the probability of recoilless absorption, f, relative absorption line position, ΔE, and quadrupole splitting, ΔEsub(Q), of Moessbauer spectrum are experimentally determined. Results of a Moessbauer study of SnO point to a linear increase of f, decreases of the electron density at the tin nucleus and increases Esub(Q) with increasing P. The phase transition in SnO discovered earlier in non hydrostatic conditions is not detected. This fact is used to make conclusion that it is necessary to take into account shearing stresses for this phase transition. (author)

  14. Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Zemcik, T.

    1984-01-01

    The emission and absorption of photons taking place without changes in the frequency spectrum of the crystal lattice are known as the Moessbauer effect. It takes place in the low energy levels of heavy nuclei in solid lattices at low temperatures. On the basis of the hyperfine structure of Moessbauer spectra the notions are explained of isomer shift, quadrupole splitting and magnetic splitting. The principle and function are explained of Moessbauer spectrometers and the methods of graphical processing of spectra, also the use of the least square fit. Moessbauer spectroscopy is nondestructive, highly sensitive and selective and makes structural resolution possible. It is used for quantitative and qualitative analysis of compounds. Examples are given of the use of this method for mineralogical and crystallo-chemical analysis of lunar minerals and rocks, for analysis of corrosion products of iron and for phase analysis of alloys. (M.D.)

  15. Applied investigation of Moessbauer effect for the famous ancient chinese porcelains

    International Nuclear Information System (INIS)

    Gao Zhengyao; Chen Songhua; Shen Zuocheng

    1996-10-01

    The famous Ru porcelain, Jun porcelain and Guan porcelain of Song Dynasty and Yuan Dynasty are analyzed. The Moessbauer parameters of the ancient porcelains and the imitative ancient porcelains are compared. The firing techniques, coloring mechanism and microstructures of the ancient Chinese porcelains have been discussed. (7 figs., 4 tabs.)

  16. Some antarctic lacustrine sediments from northern Victoria Land investigation by Moessbauer spectroscopy, INNA and XRD

    International Nuclear Information System (INIS)

    Stievano, L.; Bertelle, M.; Leotta, G.; Calogero, S.; Constantinescu, S.; Oddone, M.

    1999-01-01

    Fifteen lacustrine sediments, sampled during the 1994-1995 Austral summer in Northern Victoria Land (Antarctica), were characterised by 57 Fe Moessbauer spectroscopy, instrumental neutron activation analysis and X-ray diffraction. These sediments are related to the intrusive rocks from Granite Harbour, to the metamorphic rocks of the Complex of Wilson Terrane and the volcanic rocks from Mc Murdo. The samples contain quartz, alkaline feldspars, plagioclases, amphiboles, biotite, chlorite and muscovite except for the sediments of volcanic origin that contain alkaline feldspars, plagioclases and pyroxenes. The paramagnetic components of the Moessbauer spectra were assigned mainly to the iron sides in biotites except for those displayed from the sediments of volcanic origin assigned mainly to pyroxenes. Moessbauer spectra at room temperature do not display magnetic ordering except for those of the sediments of volcanic origin containing bulk magnetite, hematite and goethite. Moessbauer spectra collected at the liquid helium temperature always exhibit magnetic ordering. This spectral difference has been attributed to the different dimensions of the iron oxide particles in the sediments. The scarce weathering involves a partial transformation of magnetite in hematite and goethite in the sediment of volcanic origin. In the remaining sediments a partial hydrolysis of biotite together with a partial oxidation of iron (II) retained in silicates is present. (authors)

  17. 129I Moessbauer spectroscopic study of several n-σ charge-transfer complexes of iodine with thioethers

    International Nuclear Information System (INIS)

    Sakai, Hiroshi; Matsuyama, Tomochika; Maeda, Yutaka

    1986-01-01

    129 I Moessbauer studies have been made of n-σ charge-transfer complexes of iodine with thioethers, such as thiane, 1,4-oxathiane, and 1,4-dithiane. The spectra of these complexes consist of two sets of quadrupole octets, corresponding to the bridging and terminal iodine atoms. The transferred charges from the thioethers are localized on the terminal iodine atoms, and the bridging iodine atoms have slightly positive charges. This result can be well explained in terms of a covalent bond between the sulfur and bridging iodine atoms or the MO treatment of a delocalized three-center four-electron bonding. The contributions of the dative structure to the ground state are estimated to be 36, 28, and 24 % for thiane-iodine, 1,4-oxathiane-iodine, and 1,4-dithiane-iodine respectively. The nature of the charge-transfer bond is discussed in comparison with amine-iodine complexes. (author)

  18. A Moessbauer spectroscopic study of corrosion related reactions in the iron-hydrogen fluoride-water-oxygen system

    International Nuclear Information System (INIS)

    Crouse, P.L.

    1989-03-01

    The results of a study of a number of corrosion related reactions in the Fe-HF-H 2 O-O2 system are presented. The primary techniques used were transmission and conversion electron Moessbauer spectroscopy. Conversion electron Moessbauer spectra were recorded at very low γ-photon glancing angles and at normal incidence. Depth profiles of surface layers were obtained by recording spectra at different glancing angles. The initial product which forms when an iron surface is exposed to the vapour of azeotropic hydrofluoric acid was identified as FeF 25 ·47H 2 O. With increasing film thickness, a product, identified as non-stoichiometric Fe 2 F 5 ·7H 2 O, was shown to occur. A thermodynamic analysis of the system is presented which shows FeF 3 ·3H 2 O to be the most stable compound under the experimental conditions used, and suggests a stepwise reaction sequence in which FeF 2 ·4H 2 O forms first, followed by Fe 2 F 5 ·7H 2 O and finally FeF 3 ·3H 2 O. Results obtained in a gravimetric study reveal the rate of reaction of metallic iron with the azeotropic vapour to be controlled by the rate of diffusion of the gaseous species through the product layer. In the case of the reactions with the vapour of higher dilutions of aqueous HF, the chemical reaction between the iron substrate and the gaseous species is rate controlling. 86 refs., 61 figs., 14 tabs

  19. Moessbauer spectroscopic study on valence-detrapping and trapping of mixed-valence trinuclear iron (III, III, II) fluorine-substitute benzoate complexes

    International Nuclear Information System (INIS)

    Sakai, Y.; Onaka, S.; Ogiso, R.; Takayama, T.; Takahashi, M.; Nakamoto, T.

    2012-01-01

    Four mixed-valence trinuclear iron(III, III, II) fluorine-substituted benzoate complexes were synthesized; Fe 3 O(C 6 F 5 COO) 6 (C 5 H 5 N) 3 ·CH 2 Cl 2 (1), Fe 3 O(C 6 F 5 COO) 6 (C 5 H 5 N) 3 (2), Fe 3 O(2H-C 6 F 4 COO) 6 (C 5 H 5 N) 3 (3), and Fe 3 O(4H-C 6 F 4 COO) 6 (C 5 H 5 N) 3 (4). By means of 57 Fe-Moessbauer spectroscopy, valence-detrapping and trapping phenomena have been investigated for the four mixed-valence complexes. The valence state of three iron ions is trapped at lower temperatures while it is fully detrapped at higher temperatures for 1. Valence detrapping is not observed for 2, 3, and 4 even at room temperature, although Moessbauer spectra for 3 and 4 show a complicated temperature dependence. (author)

  20. Comparison of high-field Moessbauer and μSR investigations on spin glasses

    International Nuclear Information System (INIS)

    Bogner, J.; Reissner, M.; Steiner, W.; Cywinski, R.; Dann, J.A.; Telling, M.T.F.

    2001-01-01

    We report on the analysis of μSR and Moessbauer measurements of the metallic spin glasses Y(Fe 0.65 Al 0.35 ) 2 and Y(Fe 0.4 Al 0.6 ) 2 above the freezing temperature (T f ) in terms of a model taking into account a dynamical process of stochastic formation and decay of magnetically correlated regions. By this model a comparison of the autocorrelation function determined by the two different measuring techniques is possible. For the temperature dependence of the autocorrelation time we find fair agreement between both experiments for T>2T f

  1. Portable and Automatic Moessbauer Analysis

    International Nuclear Information System (INIS)

    Souza, P. A. de; Garg, V. K.; Klingelhoefer, G.; Gellert, R.; Guetlich, P.

    2002-01-01

    A portable Moessbauer spectrometer, developed for extraterrestrial applications, opens up new industrial applications of MBS. But for industrial applications, an available tool for fast data analysis is also required, and it should be easy to handle. The analysis of Moessbauer spectra and their parameters is a barrier for the popularity of this wide-applicable spectroscopic technique in industry. Based on experience, the analysis of a Moessbauer spectrum is time-consuming and requires the dedication of a specialist. However, the analysis of Moessbauer spectra, from the fitting to the identification of the sample phases, can be faster using by genetic algorithms, fuzzy logic and artificial neural networks. Industrial applications are very specific ones and the data analysis can be performed using these algorithms. In combination with an automatic analysis, the Moessbauer spectrometer can be used as a probe instrument which covers the main industrial needs for an on-line monitoring of its products, processes and case studies. Some of these real industrial applications will be discussed.

  2. Moessbauer study of iron-sugar complexes

    International Nuclear Information System (INIS)

    Tonkovic, M.; Music, S.; Hadzija, O.; Nagy-Czako, I.; Vertes, A.

    1982-01-01

    Ferric-fructose complex has been prepared using FeCl 3 and Fe(NO 3 ) 3 solutions. Molecular weight determination and Moessbauer spectroscopic measurements proved that the ferric-fructose complex is polymeric in solid state and also in aqueous solution. The synthesis of a new iron-sorbose complex has been performed. Its Moessbauer spectra indicate a structure similar to that of the iron-fructose complex. (author)

  3. Vacuum arc anode plasma. I. Spectroscopic investigation

    International Nuclear Information System (INIS)

    Bacon, F.M.

    1975-01-01

    A spectroscopic investigation was made of the anode plasma of a pulsed vacuum arc with an aluminum anode and a molybdenum cathode. The arc was triggered by a third trigger electrode and was driven by a 150-A 10-μs current pulse. The average current density at the anode was sufficiently high that anode spots were formed; these spots are believed to be the source of the aluminum in the plasma investigated in this experiment. By simultaneously measuring spectral emission lines of Al I, Al II, and Al III, the plasma electron temperature was shown to decrease sequentially through the norm temperatures of Al III, Al II, and Al I as the arc was extinguished. The Boltzmann distribution temperature T/subD/ of four Al III excited levels was shown to be kT/subD//e=2.0plus-or-minus0.5 V, and the peak Al III 4D excited state density was shown to be about 5times10 17 m -3 . These data suggest a non-local-thermodynamic-equilibrium (non-LTE) model of the anode plasma when compared with the Al 3+ production in the plasma. The plasma was theoretically shown to be optically thin to the observed Al III spectral lines

  4. The Latin American Moessbauer research community

    International Nuclear Information System (INIS)

    Stevens, J.G.

    1994-01-01

    Interest in Moessbauer spectroscopy among the Latin American countries has increased in the last five years. Two-thirds of the published research is coming from the Moessbauer research groups in Brazil. Other Latin American countries with active Moessbauer research include Argentina, Chile, Columbia, Cuba, Mexico, Peru, and Venezuela. In recent years, the area having the most interest has been the investigation of minerals and high temperature superconductors. (orig.)

  5. Moessbauer Investigation of Spin Arrangements in Er2-xCexFe14B

    International Nuclear Information System (INIS)

    Bogacz, B.F.; Pedziwiatr, A.T.

    2008-01-01

    It was theoretically postulated earlier that in compounds Er 2-x Ce x Fe 14 B it may be possible to observe not only axial and planar spin arrangements but also a conical one. In order to experimentally verify this hypothesis, 57 Fe Moessbauer spectroscopy analysis was used to study the polycrystalline compounds Er 2-x Ce x Fe 14 B in the postulated composition region (x = 1.0, 1.1, 1.2, 1.3) in the wide range of temperatures. The obtained experimental data do not clearly support the suggestion of conical arrangement occurrence in the postulated compositions. They indicate that such phenomenon may be shifted towards higher Ce content. (authors)

  6. The Moessbauer effect data center: A report

    International Nuclear Information System (INIS)

    Stevens, J.G.

    1990-01-01

    The Moessbauer Effect Data Center is unique in its operation and the kind of information services that it provides. It is probably the only user-supported information center in the basic sciences. This has been primarily possible due to the broad support and encouragement the center receives from the international Moessbauer community. This report also discusses the demographics of the Moessbauer community: identifying such items as the most active areas of research in Moessbauer Spectroscopy, where is this research being done and who is doing it. Also, examined is where Moessbauer research investigations are being published. BITNET and other forms of electronic mail are being widely used in the scientific community. This is also the case in the Moessbauer community. Directories and list-servers are being established. (orig.)

  7. Moessbauer effect in superconducting organosol of tin

    International Nuclear Information System (INIS)

    Dekhtyar, I.Ya.; Zhelibo, E.P.; Kushnir, B.G.; Nishchenko, M.M.; Pan, V.M.; Popov, A.G.; Khvorov, M.M.; AN Ukrainskoj SSR, Kiev. Inst. Kolloidnoj Khimii i Khimii Vody)

    1977-01-01

    Structure of disperse particles (approximately 1 μm) of tin organosols have been investigated by means of the Moessbauer effect. A considerable amount of oxides (up to 20%) in amorphous (SnO 2 ) or in metastable crystalline (SnO) states has been discovered. The observed properties of the Moessbauer spectrum of organosols are compared with measurements of their critical temperature. The effect of impurities and of other structural defects on the dynamic and superconducting properties of organosols is observed. Temperature broadening of lines and temperature variation of the Moessbauer effect value for the particle of different dimensions are in a qualitative agreement with the theory of the granular Moessbauer absorbers

  8. 57Fe Moessbauer spectroscopic study on surface products of thin iron plates exposed to ambient atmosphere as a means of environmental monitoring

    International Nuclear Information System (INIS)

    Matsuo, Motoyuki; Kobayashi, Takaaki

    1993-01-01

    Conversion electron and transmission Moessbauer spectroscopy were applied to the analysis of thin iron plates exposed to the ambient atmosphere. The degree of corrosion of the iron plates was classified into three categories according to the kind and thickness of rust evaluated by Moessbauer spectra. The severe corrosion took place in seaside and roadside areas. The medium corrosion was observed in urban areas, and the weak corrosion occurred in suburban and mountainous areas. This fact implies that the surface products of iron plates can successfully reflect the ambient atmosphere to which the plates were exposed. (orig.)

  9. Experimental investigation of some coordination complexes using the sup(151)Eu Moessbauer resonance

    International Nuclear Information System (INIS)

    Lal, Asharfi; Rama Reddy, A.; Arvind; Ahmad, Naseer

    1979-01-01

    Several Schiff base complexes containing Eu 151 metal ions have been synthesized and their Moessbauer spectra are recorded using the constant acceleration velocity spectrometer. The least-square analysis method for the evaluation of the hyperfine field coupling constants is adopted using the computer dec system-10. From the systematic analysis of the quadrupole coupling constants (q.c.c.) and isomer shifts it has been established that the coordination number of the metal ion of Bis(acetylacetone) benzidine and thiourea complexes is five, that of bis-vanillin benzidine and bis-salicylaldehyde-o-dianisidine is six, and that of bis-vanillin-o-phenylene diamine is seven. It is also found that the q.c.c. being negative in all these complexes decreases monotonically as the coordination number increases. One unusual aspect of this experimental data is that most of the coordination complexes have very low f-factors whereas the Schiff base complexes studied here have a fairly high recoilless fractions. Attempts are in progress to synthesize and study the Fe Schiff base complexes in place of Eu. (auth.)

  10. A Moessbauer effect spectrometer

    International Nuclear Information System (INIS)

    Fayek, M.K.; Abbas, Y.M.; Bahgat, A.A.

    1983-01-01

    A Moessbauer effect spectrometer of Harwell type is installed and put in operation. The driving system is of a constant acceleration mode with a velocity range 40mm/sec. and associated to a 1024 multichannel analyser working in a multiscalar time mode. The gamma ray sources are 50 mCi Co 57 in Pd and 20 mCi Snsup(119m) in Ba Sn(O) 3 . Measurements are taken with the source kept at room temperature, while the absorber can be maintained at various temperatures. Gamma ray resonance spectra of different standard samples are obtained. Zero velocity and magnetic field calibration curves are deduced. Examples of some Moessbauer spectra for running investigated materials with a comprehensive general description are also given

  11. Statistical investigation of spectroscopic binary stars

    International Nuclear Information System (INIS)

    Tutukov, A.V.; Yungelson, L.R.

    1980-01-01

    A catalog of physical parameters of about 1000 spectroscopic binary stars (SB), based on the Batten catalog, its extensions, and newly published data has been compiled. Masses of stars' components (M 1 and M 2 ), mass ratios of components (q=M 1 /M 2 ) and orbital angular momenta are computed, wherever possible. It is probable that the initial mass function of the primaries is non-monotonic and is described only approximately by a power-law. A number of assumed 'initial' distributions of M 1 , q and the semiaxes of orbits were transformed with the aim of obtaining 'observed' distributions taking into account the observational selection due to the luminosities of the components, their radial velocities, inclinations of the orbits, and the effects of matter exchange between the components. (Auth.)

  12. Spectroscopic investigation of oxidized solder surfaces

    International Nuclear Information System (INIS)

    Song, Jenn-Ming; Chang-Chien, Yu-Chien; Huang, Bo-Chang; Chen, Wei-Ting; Shie, Chi-Rung; Hsu, Chuang-Yao

    2011-01-01

    Highlights: → UV-visible spectroscopy is successfully used to evaluate the degree of discoloring of solders. → The surface oxides of solders can also be identified by UV-visible absorption spectra. → The discoloration of solder surface can be correlated with optical characterization of oxides. → A strategy against discoloring by alloying was also suggested. - Abstract: For further understanding of the discoloration of solder surfaces due to oxidation during the assembly and operation of electronic devices, UV-vis and X-ray photoelectron spectroscopic analyses were applied to evaluate the degree of discoloring and identify the surface oxides. The decrease in reflectance of the oxidized solder surface is related to SnO whose absorption band is located within the visible region. A trace of P can effectively depress the discoloration of solders under both solid and semi-solid states through the suppression of SnO.

  13. Hyperfine interactions by Moessbauer effect

    International Nuclear Information System (INIS)

    Constantinescu, S.

    1980-01-01

    Moessbauer spectroscopy has been used to investigate hyperfine interactions in materials endowed with complex electromagnetic crystallographic structures. Such structures (Me 3 B 7 O 13 X boracite-type systems, for instance), equally interesting from both scientific and applications viewpoint, are drawing a special attention lately on account of their being examined by means of increasingly refined experimental techniques. In view of the wide prospects of using these materials in various practical fields, this thesis counts among the studies aiming to ameliorate the methods of processing and determining the Moessbauer spectra parameters, characterized by complex hyperfine interactions, as well as among the studies of electric, magnetic and crystallographic investigation of the Moessbauer nucleus neighbourhood, in boracite-type structures. (author)

  14. Moessbauer and X-ray Diffraction Investigations of Sn-containing Binary and Ternary Electrodeposited Alloys from a Gluconate Bath

    International Nuclear Information System (INIS)

    Kuzmann, E.; Stichleutner, S.; Homonnay, Z.; Vertes, A.; Doyle, O.; Chisholm, C.U.; El-Sharif, M.

    2005-01-01

    Constant current technique was applied to electrodeposit tin-containing coatings such as tin-cobalt (Sn-Co), tin-iron (Sn-Fe) and a novel tin-cobalt-iron (Sn-Co-Fe) from a gluconate bath. The effect of plating parameters (current density, deposition time at an electrolyte temperature of 60 deg. C and pH=7.0) on phase composition, crystal structure and magnetic anisotropy of alloy deposits has been investigated mainly by 57Fe CEMS, 119Sn CEMS and transmission Moessbauer Spectroscopy as well as XRD. 57Fe and 119Sn CEM spectra and XRD reflect that the dominant phases of the deposits are orthorhombic Co3Sn2, tetragonal FeSn2 or amorphous Fe-Sn and amorphous Sn-Co-Fe in Sn-Co, Sn-Fe and Sn-Co-Fe coatings, respectively. Furthermore, the relative area of the 2nd and 5th lines of the sextets representing the magnetic iron containing phases decreases continuously with increasing current density in all Fe-containing deposits. At the same time, no essential change in the magnetic anisotropy can be found with the plating time. 119Sn spectra reveal the presence of small amount of β-Sn besides the main phases in Sn-Fe and in the Sn-Co coatings. Magnetically split 119Sn spectra reflecting transferred hyperfine field were observed in the case of Co-Sn-Fe coatings

  15. Moessbauer and X-ray Diffraction Investigations of Sn-containing Binary and Ternary Electrodeposited Alloys from a Gluconate Bath

    Energy Technology Data Exchange (ETDEWEB)

    Kuzmann, E; Stichleutner, S; Homonnay, Z; Vertes, A [Department of Nulear Chemistry, Hungarian Academy of Sciences, Eoetvoes University, Budapest (Hungary); Research Group for Nuclear Methods in Structural Chemistry, Hungarian Academy of Sciences, Eoetvoes University, Budapest (Hungary); Doyle, O; Chisholm, C U; El-Sharif, M [Glasgow Caledonian University, Glasgow, Scotland (United Kingdom)

    2005-04-26

    Constant current technique was applied to electrodeposit tin-containing coatings such as tin-cobalt (Sn-Co), tin-iron (Sn-Fe) and a novel tin-cobalt-iron (Sn-Co-Fe) from a gluconate bath. The effect of plating parameters (current density, deposition time at an electrolyte temperature of 60 deg. C and pH=7.0) on phase composition, crystal structure and magnetic anisotropy of alloy deposits has been investigated mainly by 57Fe CEMS, 119Sn CEMS and transmission Moessbauer Spectroscopy as well as XRD. 57Fe and 119Sn CEM spectra and XRD reflect that the dominant phases of the deposits are orthorhombic Co3Sn2, tetragonal FeSn2 or amorphous Fe-Sn and amorphous Sn-Co-Fe in Sn-Co, Sn-Fe and Sn-Co-Fe coatings, respectively. Furthermore, the relative area of the 2nd and 5th lines of the sextets representing the magnetic iron containing phases decreases continuously with increasing current density in all Fe-containing deposits. At the same time, no essential change in the magnetic anisotropy can be found with the plating time. 119Sn spectra reveal the presence of small amount of {beta}-Sn besides the main phases in Sn-Fe and in the Sn-Co coatings. Magnetically split 119Sn spectra reflecting transferred hyperfine field were observed in the case of Co-Sn-Fe coatings.

  16. Quantitative Moessbauer analysis

    International Nuclear Information System (INIS)

    Collins, R.L.

    1978-01-01

    The quantitative analysis of Moessbauer data, as in the measurement of Fe 3+ /Fe 2+ concentration, has not been possible because of the different mean square velocities (x 2 ) of Moessbauer nuclei at chemically different sites. A method is now described which, based on Moessbauer data at several temperatures, permits the comparison of absorption areas at (x 2 )=0. (Auth.)

  17. EPR spectroscopic investigation of psoriatic finger nails.

    Science.gov (United States)

    Nakagawa, Kouichi; Minakawa, Satoko; Sawamura, Daisuke

    2013-11-01

    Nail lesions are common features of psoriasis and found in almost half of the patients. However, there is no feasible spectroscopic method evaluating changes and severity of nail psoriasis. EPR (electron paramagnetic resonance) might be feasible for evaluating nail conditions in the patients of psoriasis. Finger nails of five cases with nail psoriasis, (three females and two males) were examined. Nail samples were subjected to the EPR assay. The small piece of the finger nail (1.5 × 5 mm(2)) was incubated in ~50 μM 5-DSA (5-doxylstearic acid) aqueous solutions for about 60 min at 37°C. After rinsing and wiping off the excess 5-DSA solution, the nail samples were measured by EPR. EPR spectra were analyzed using the intensity ratio (Fast/Slow) of the two motions at the peaks of the lower magnetic field. We observed two distinguishable sites on the basis of the EPR results. In addition, the modern EPR calculation was performed to analyze the spectra obtained. The nail psoriasis-related region is 2~3 times higher than that of the control. The present EPR results show that there are two distinguishable sites in the nail. In the case of nail psoriasis, the fragile components are 2~3 times more than those of the control. Thus, the EPR method is thought to be a novel and reliable method of evaluating the nail psoriasis. © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  18. In situ57Fe Moessbauer Investigation of Solid-State Redox Reactions of Lithium Insertion Electrodes for Advanced Batteries

    International Nuclear Information System (INIS)

    Sakai, Yoichi; Ariyoshi, Kingo; Ohzuku, Tsutomu

    2002-01-01

    A novel in situ electrochemical cell for 57 Fe Moessbauer measurements was developed in order to clarify the mechanisms of solid-state redox reactions in lithium insertion materials containing iron. Our in situ Moessbauer technique was successfully applied to the determination as to which transition metal ion was a redox center in the insertion electrodes, such as LiFe 0.5 Mn 1.5 O 4 , LiFeTiO 4 , or LiFe 0.25 Ni 0.75 O 2 , for the lithium-ion batteries.

  19. Moessbauer spectroscopic studies of the chemical effects associated with 57Co(electron capture)57Fe decay in tris-β-diketonatocobalt(III) compounds

    International Nuclear Information System (INIS)

    Sakai, Yoichi; Endo, Kazutoyo; Sano, Hirotoshi

    1980-01-01

    Magnetic hyperfine structures (hfs) were found in the absorption Moessbauer spectra at 78 K of a paramagnetic iron(III) complex diluted in a diamagnetic cobalt(III) or aluminium(III) complex such as 57 Fe(acac) 3 in Co(acac) 3 , 57 Fe(oxin) 3 in Al(oxin) 3 , and 57 Fe(dbm) 3 in Co(dbm) 3 (acac=acetylacetonato, oxin=8-quinolinolato, and dbm=dibenzoylmethanato), showing that the magnetic hfs is caused by the spin-spin relaxation through the surrounding diamagnetic species. In the emission Moessbauer experiments, magnetic hfs was observed at 78 K in 57 Co-labelled Co(dbm) 3 , Co(oxin) 3 , and polystyrene-diluted Co(acac) 3 , while it was not observed in 57 Co-labelled Co(acac) 3 and Co(dpm) 3 (dpm=dipivaloylmethanato). The former possess pi -conjugated systems to a greater extent than the latter, either in the ligands or in the vicinity of the 57 Co-labelled Co(III) species. These results were explained in terms of the radiolytic stabilities of the matrices as well as those of 57 Co-labelled compounds by showing that the paramagnetic radicals produced in a diamagnetic matrix quench the magnetic hfs because of the increased spin-spin interaction, as a consequence of the local radiolysis by EC-decay. (author)

  20. Conversion electron Moessbauer spectroscopic studies on the chemical states of surface layers of corroded tin plates and tin-coated iron plates

    International Nuclear Information System (INIS)

    Kato, Akinori; Endo, Kazutoyo; Sano, Hirotoshi

    1980-01-01

    By means of the conversion electron Moessbauer spectroscopy (CEMS), we studied surface layers of ''tin'' plates and tin-coated iron plates corroded by various acids. Transmission Moessbauer spectra and X-ray diffraction patterns were also measured. Metastannic acid was formed, when the ''tin'' plate was corroded by nitric acid solution. In corrosion by phosphoric acid solution, the X-ray diffractometry revealed the formation of tin(IV) pyrophosphate. In corrosion by various organic acid solutions, the formation of oxides was identified by the 119 Sn CEMS, but not by the X-ray diffractometry because of the too thin corrosion layer. In corrosion of tin-coated iron plates, maleic acid, malonic acid, formic acid, and oxalic acid were used. It was determined by CEMS that the corrosion products caused by these acids were tin(IV) oxides, although they could not be identified by the X-ray diffractometry. CEMS also confirmed that the surface of uncorroded tin-coated iron plate was already oxidized by air. Colorimetric determinations of Sn and Fe dissolved from tin-coated iron plates to various acid solutions confirmed that maleic acid had the strongest corrosion effect among the organic acids studied. (author)

  1. Moessbauer spectroscopic study of rust formed on a weathering steel and a mild steel exposed for a long term in an industrial environment

    International Nuclear Information System (INIS)

    Kamimura, Takayuki; Nasu, Saburo; Tazaki, Takashi; Kuzushita, Kaori; Morimoto, Shotaro

    2002-01-01

    The rusts formed on mild steel (15-year exposure) and weathering steel (32-year exposure) exposed to an industrial environment have been characterized by means of X-ray diffraction technique and 57 Fe Moessbauer spectroscopy. By using an X-ray diffraction method, it is suggested that the rusts formed on both steels consist of the crystalline α-FeOOH, γ-FeOOH and an X-ray amorphous phase, which gives no peak to X-ray diffraction pattern. The amount of the X-ray amorphous phase exceeds 50% of the total amount of the rust. The 57 Fe Moessbauer spectra observed at 10K indicate that the rust contains only α-FeOOH, γ-FeOOH and Fe 3-δ O 4 (γ-Fe 2 O 3 ) for mild steel, and only α-FeOOH and γ-FeOOH for weathering steel. The X-ray amorphous substance in the rust payer formed on mild steel possesses the structures of mainly α-FeOOH showing superparamagnetism owing to its small particle size, and Fe 3-δ O 4 (γ-Fe 2 O 3 ). They are contained both in the inner rust layer and in the outer rust layer. The X-ray amorphous phase in the rust layer formed on weathering steel is mainly α-FeOOH. (author)

  2. Recent results of EPR and Moessbauer investigations on lattice dynamics in ammonium sulphate

    CERN Document Server

    Grecu, M N; Grecu, V V

    2003-01-01

    Recent results of the lattice dynamics investigation on ammonium sulfate are reported based on recent experiments carried out using using the non-destructive experimental technique of EPR and NGR. The main results confirm the presence and the contribution of a soft mode, which accompanied the paraferroelectric phase transition in the investigated crystal. (authors)

  3. Spectroscopic investigations of polymorphism of alcohols

    International Nuclear Information System (INIS)

    Sciesinska, E.

    1991-01-01

    The paper presents absorption spectroscopy investigations of polymorphism of four alcohols: cyclopentanol, cyclohexanol, cycloheptanol and t-butanol in the mid infrared range. The study of cyclohexanol is more extended and included some neutron scattering and adiabatic calorimetry results. Multiplet structures of the low frequency skeletal modes (of the CO bending modes in particular) together with the lattice range modes were used to determine the hydrogen bond configurations for the low temperature ordered phases of those alcohols. In the case of cyclopentanol and cycloheptanol it was found also that all their phases are of linear polymer type. The differences between those phases are related to the symmetry of polymers and the stiffness of hydrogen bonding as well as to conformational and orientational order or disorder of molecules. However cyclohexanol and t-butanol both show linear and cyclic polymer phases. The most important finding of this work is that the ordered crystal phases of the studied cyclic alcohols contain two different conformations of the molecules. This new class of molecular crystals is called the conformationally mixed crystals class. A particular multiplet structure of OH (OD) torsion bands of the studied alcohols founds for the ordered linear polymer phases is the other important results of the paper. (author). 181 refs, 26 figs, 15 tab

  4. Moessbauer investigations of the Fe-Cu-Mn catalysts for Fischer-Tropsch synthesis

    International Nuclear Information System (INIS)

    Spanu, V.; Filoti, G.; Ilie, I.; Zamfirescu, E.

    1990-01-01

    In the selective process of the syngas conversion to synthetic gasoline a bifunctional catalytic system has to be used. It was obtained by combination a Fischer-Tropsch catalyst with the HZSM-5 zeolite. The phase compositions of the precursor and the fresh catalyst were established as well as the optimum thermal treatment. The catalyst was reduced in pure H 2 or in a H 2 +CO mixture. The influence of the reduction and reaction conditions on the catalyst structure was investigated. (orig.)

  5. Moessbauer investigation of magnetic hyperfine fields near bivalent Eu compounds under high pressure

    International Nuclear Information System (INIS)

    Abd Elmeguid, M.

    1979-01-01

    The paper deals with the pressure or volume dependence of hyperfine interactions of magnetically ordered, bivalent europium compounds. Emphasis is laid on the investigation of the pressure or volume dependence of magnetic hyperfine fields as they are found at the nuclear site of 151 Eu or of diamagnetic 119 Sn or 197 Au probe atoms. The measurements were carried out with the aid of the gamma resonance of 151 Eu (21.6 keV) 119 Sn (23.8 keV) and 167 Au (77.4 keV) at low temperatures and external pressures up to 65 kbar. (orig./WBU) [de

  6. Moessbauer experiments, ch. 1

    International Nuclear Information System (INIS)

    Maring, K.W.

    1977-01-01

    The magnetic properties of iron base alloys have been investigated as a function of the concentrations of the sp-elements Al, Si, Ga, Ge, As, Sn, and Sb. An extensive description of the Moessbauer Effect Spectroscopy (MES) technique is given. The results of MES experiments at room temperature for FeX alloys (X stands for one of the sp-elements) and impurity concentrations of 1, 3 and 5 a/o are presented. Through temperature dependant measurements the hyperfine fields H ((m,n)T) at iron nuclei in different surroundings are obtained. The change of the Curie temperature of the various dilute iron-base alloys, with respect to pure iron, as a function of the impurity concentration is investigated. Average magnetic hyperfine fields and isomer shifts measured at 119 Sn nuclei in Fe 119 Sn are discussed

  7. OSSM2008 Polish Moessbauer Community Meeting: Program, Abstracts and List of Participants

    International Nuclear Information System (INIS)

    2008-01-01

    The Polish Moessbauer Community Meeting - OSSM2008 has been organized by Polish scientists using the Moessbauer spectroscopy in their research. Main subjects of the meeting are investigations of modern materials electronic structure by means of Moessbauer effect (ME), using ME in biological test of tissue diseases and ME investigation of physical properties of different steels

  8. Moessbauer spectroscopy. Tutorial book

    International Nuclear Information System (INIS)

    Yoshida, Yutaka; Langouche, Guido

    2013-01-01

    First textbook on Moessbauer Spectroscopy covering the complete field. Offers a concise introduction to all aspects of Moessbauer spectroscopy by the leading experts in the field. Tutorials on Moessbauer Spectroscopy. Since the discovery of the Moessbauer Effect many excellent books have been published for researchers and for doctoral and master level students. However, there appears to be no textbook available for final year bachelor students, nor for people working in industry who have received only basic courses in classical mechanics, electromagnetism, quantum mechanics, chemistry and materials science. The challenge of this book is to give an introduction to Moessbauer Spectroscopy for this level. The ultimate goal of this book is to give this audience not only a scientific introduction to the technique, but also to demonstrate in an attractive way the power of Moessbauer Spectroscopy in many fields of science, in order to create interest among the readers in joining the community of Moessbauer spectroscopists. This is particularly important at times where in many Moessbauer laboratories succession is at stake.

  9. Investigations of Magnetic Structural Phase Transition of Layered Systems by Moessbauer Effect and by Dielectric Constant Measurements

    International Nuclear Information System (INIS)

    Mulhem, J.; Mostafa, M.; Shaban, H.

    2002-01-01

    Moessbauer Effect (ME) of compounds like (C n H 2 N +1 NH 3 ) 2 -Fe(Π)CL 4 and (CH 2 ) 6 (NH 3 ) 2 Fe(Π)CL 4 have been measured. The results indicate a conted spin antiferromagnet, with transition temperatures and magnetic field strengths according to value of n. Dielectric constant measurements of the above compounds as afunction of temperatures at different selected frequencies also have been carried out. The results confirm existence of structural phase transition shown by Me. (Author's) 10 refs., 6 figs., 1 tab

  10. Moessbauer study of the lattice dynamics of tin atoms in antimony

    International Nuclear Information System (INIS)

    Sitek, J.

    1975-01-01

    The Moessbauer effect probability f was investigated for tin impurity atoms in the SnSb solution (the impurity varied from 3 at% to 15 at%). The absolute value of the Moessbauer effect probability was determined from Moessbauer absorption spectra by the area method using a calibration absorber of a β-tin foil with known f. (Z.S.)

  11. Moessbauer spectroscopy with synchrotron radiation

    International Nuclear Information System (INIS)

    Bergmann, U.

    1994-01-01

    The short pulse nature of synchrotron radiation makes it possible to perform Moessbauer spectroscopy in the time domain, i.e. instead of measuring the transmitted intensity time integrated as a function of source/absorber velocity, the intensity of the scattered radiation is measured time differential. The resulting time spectrum is essentially source independent and complications in the data analysis which are related to the radioactive source are completely removed. Furthermore, the large brightness and well defined polarization of the synchrotron radiation can, e.g., speed up the data collection and facilitate studies of polarization phenomena. To illustrate these new spectroscopic possibilities, measurements of the temperature dependence and polarization dependence of forward scattering from alpha - sup 5 sup 7 Fe nuclei are presented and discussed 26 refs., 5 figs. (author)

  12. Moessbauer-spectroscopic characterization of the local surrounding of tin dopant cations in the bulk and on the surface of YCrO{sub 3} crystallites

    Energy Technology Data Exchange (ETDEWEB)

    Afanasov, Mikhail I.; Fabritchnyi, Pavel B. [M.V. Lomonosov Moscow State Univ. (Russian Federation). Dept. of Chemistry; Wattiaux, Alain; Labrugere, Christine; Delmas, Claude [CNRS, Bordeaux Univ., Pessac (France). Inst. de Chimie de la Matiere Condensee

    2011-03-15

    {sup 119}Sn Moessbauer spectra of tin-doped YCrO{sub 3}, obtained by annealing in air of an YCr({sup 119}Sn{sup 4+}){sub 0.003}(OH){sub 6} . xH{sub 2}O precursor, provide evidence for the location of Sn{sup 4+} on the Cr{sup 3+} site in the bulk of crystallites. Below the Neel point of YCrO{sub 3} (T{sub N} = 141 K), Sn{sup 4+} ions are spin-polarized, the majority exhibiting a hyperfine field H of 80 kOe at 4.2 K. Analysis of the {sup 119}Sn spectra of another sample, obtained by impregnation of polycrystalline YCrO{sub 3} with a solution of {sup 119}SnCl{sub 4}, shows that annealing in H{sub 2} results in the location of the dopant, in the divalent state, on the surface of the crystallites. The parameters of an in situ {sup 119}Sn spectrum at 295 K (isomer shift {delta} = 2.76 mm s{sup -1} and quadrupole splitting E{sub Q} = 1.95 mm s{sup -1}) reveal the presence of Sn{sup 2+} ions on sites with a coordination number CN < 6. At 100 K these Sn{sup 2+} ions exhibit no spin polarization. Upon contact with air they are rapidly oxidized to the tetravalent state, as demonstrated by their modified isomer shift value {delta} = 0.06 mm s{sup -1}. For the large majority of both the residual 'parent' Sn{sup 2+} ions and the 'daughter' Sn{sup 4+} ones no spin polarization is observed down to 4.2 K. This means that surface-located tin dopant cations, regardless of their oxidation state, occupy the Y{sup 3+} sites with an equal number of Cr{sup 3+} neighbors having mutually opposite spin orientations. (orig.)

  13. Moessbauer studies of Inca ceramics

    International Nuclear Information System (INIS)

    Wagner, U.; Wagner, F.E.; Marticorena, B.; Salazar, R.; Schwabe, R.; Riederer, J.

    1986-01-01

    To obtain information on the firing of Inca ceramics, 7 samples from different locations were studied by Moessbauer spectroscopy including a detailed laboratory refiring procedure. The glaze typical for the surface of this ware was studied by Moessbauer scattering. (Auth.)

  14. Influence of mechanical activation on the Moessbauer spectra of the sulfides

    International Nuclear Information System (INIS)

    Lipka, J.; Miglierini, M.; Sitek, J.; Balaz, P.; Tkacova, K.

    1993-01-01

    Moessbauer spectroscopy, X-ray photoelectron spectroscopy, infrared spectroscopy, electron paramagnetic resonance and X-ray diffraction were used to identify changes of surface, structure and spectroscopic properties of sulfide minerals produced by mechanical activation. In the present study we report the results of chalcopyrite (CuFeS 2 ), pyrite (FeS 2 ), cinnabar (HgS), bornite (Cu 5 FeS 4 ) and zinc sulfide (ZnS). The influence of energy input to the mill and the nature of grinding environment have been investigated upon the Fe contamination of the materials. (orig.)

  15. Influence of mechanical activation on the Moessbauer spectra of the sulfides

    Energy Technology Data Exchange (ETDEWEB)

    Lipka, J.; Miglierini, M.; Sitek, J. (Dept. of Nuclear Physics and Technology, Slovak Technical Univ., Bratislava, Slovak Republic (Czechoslovakia)); Balaz, P.; Tkacova, K. (Mining Inst. of the Slovak Academy of Sciences, Kosice, Slovak Republic (Czechoslovakia))

    1993-04-01

    Moessbauer spectroscopy, X-ray photoelectron spectroscopy, infrared spectroscopy, electron paramagnetic resonance and X-ray diffraction were used to identify changes of surface, structure and spectroscopic properties of sulfide minerals produced by mechanical activation. In the present study we report the results of chalcopyrite (CuFeS[sub 2]), pyrite (FeS[sub 2]), cinnabar (HgS), bornite (Cu[sub 5]FeS[sub 4]) and zinc sulfide (ZnS). The influence of energy input to the mill and the nature of grinding environment have been investigated upon the Fe contamination of the materials. (orig.).

  16. A Moessbauer study of doped magnetite

    International Nuclear Information System (INIS)

    Nistor, C.I.; Boekema, C.; Woude, F. van der; Sawatzky, G.A.

    1975-01-01

    Doped magnetite was investigated by means of the Moessbauer effect to ascertain the behaviour of conduction electrons in magnetite. The Moessbauer spectrum of Fe 3 O 4 recorded at room temperature consisted of two patterns: one corresponding to the Fe 3+ (A) ions and another corresponding to the Fe(B) ions. The first A and B lines of the room temperature Moessbauer spectra of Msub(0.1)Fesub(2.9)O 4 with M = Li, Ni and Sn are presented. The B site lines of the spectra were asymmetrically broadened and showed a certain structure whereas the A site lines were narrow. In the Moessbauer spectrum of Lisub(0.2)Fesub(2.8)O 4 recorded at 407 0 C even separate lines between the A and B patterns were observed. It was found that the symmetry and line broadening were only slightly temperature dependent and were still present at higher temperatures. The application of a charge oscillation model was found to be valid only for lower impurity concentrations. The Moessbauer study of doped magnetite revealed the occurrence of spin and charge density oscillations in the B sublattice. (Z.S.)

  17. ESR spectroscopic investigations of the radiation-grafting of fluoropolymers

    Energy Technology Data Exchange (ETDEWEB)

    Huebner, G; Roduner, E [University of Stuttgart (Germany); Brack, H P; Scherer, G G [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    ESR spectroscopic investigations have clarified the influence of several preparative parameters on the reaction rates and yields obtained in the radiation-grafting method used at PSI to prepare proton-conducting polymer membranes. At a given irradiation dose, a higher concentration of reactive radical sites was detected in ETFE films than in FEP films. This higher concentration explains the higher grafting levels and rates of the ETFE films found in our previous grafting experiments. Taken together, the in-situ ESR experiments and grafting experiments show that the rates of disappearance of radical species and grafting rates and final grafting levels depend strongly on the reaction temperature and the oxygen content of the system. Average grafted chain lengths were calculated to contain about 1,000 monomer units. (author) 2 figs., 4 refs.

  18. Spectroscopic investigation of degradation of rapseed oil methyl esters

    International Nuclear Information System (INIS)

    Kampars, V.

    2003-01-01

    Investigation of rapseed oil methyl esters by US VIS and FTIR spectroscopy during the heating at 80 deg C were carried out. The degradation begins immediately after beginning of experiment. The main process at first stage is destroying of carotenoids and oxidation of polyunsaturated fatty acids by forming conjugated polyenes. Between the formation of conjugated triens and destroying of carotenoids exist definite interconnection, but there isn't evidence for the protective activity of carotenoids. As follows from FTIR spectroscopy the increase of carbonyl compounds concentration begins immediately after the start of experiment and continues all the time. Despite to the complex character the peak at 220 nm is only one spectroscopic characteristic with a sharp alteration point and may be used for the fast and simple detection of storage stability of bio diesels. (authors)

  19. Moessbauer study of hydrated iron sulfates

    International Nuclear Information System (INIS)

    Araujo, S.I.; Danon, J.; Iannarella, L.

    1991-01-01

    The hydrated iron sulfates amarantite Fe(SO sub(4))(OH).3H sub(2)O, copiapite (Mg,Al)Fe sup(3+) sub(4)(SO sub(4)) sub(6)(OH) sub(2).20H sub(2)O and ungemachite K sub(3)Na sub(9)Fe(SO sub(4)) sub(6)(OH) sub(3).9H sub(2)O were studied by Moessbauer Spectroscopy (MS) in connection with Differential Scanning Calorimetry (DSC). The effect of the dehydration on the hyperfine parameters at the Fe sites was investigated. For amarantite, the Moessbauer spectrum remained practically unchanged, while the Fe sup(3+) quadrupole splittings for copiapite and ungemachite increased. The Fe sup(2+) quadrupole splitting of ungemachite was also unchanged. We have found out the anisotropy of the recoiless absorption probability for the sup(57)Fe Moessbauer gamma ray in amarantite. The three minerals were found to be highly hygroscopic after the dehydration consequent of the DSC measurements. (author)

  20. Moessbauer spectroscopy in space

    Energy Technology Data Exchange (ETDEWEB)

    Klingelhoefer, G [Technische Hochschule Darmstadt (Germany). Inst. fuer Kernphysik; Held, P [Technische Hochschule Darmstadt (Germany). Inst. fuer Kernphysik; Teucher, R [Technische Hochschule Darmstadt (Germany). Inst. fuer Kernphysik; Schlichting, F [Technische Hochschule Darmstadt (Germany). Inst. fuer Kernphysik; Foh, J [Technische Hochschule Darmstadt (Germany). Inst. fuer Kernphysik; Kankeleit, E [Technische Hochschule Darmstadt (Germany). Inst. fuer Kernphysik

    1995-03-01

    Nearly 40 years after the discovery of the Moessbauer effect for the first time a Moessbauer spectrometer will leave our planet to explore in situ the surface of another solar system body: the red planet Mars [1]. We are currently developing a miniaturized Moessbauer spectrometer (MIMOS) which is part of the scientific payload of the Russian Mars96 mission, to be launched within the next 2-4 years [2,3]. To fulfill the requirements for a space mission to the planet Mars, all parts of the spectrometer had to be extremely miniaturized and ruggedized to withstand the space flight and Mars environmental conditions. The relevant parts (e.g. drive, detector system, electronics etc.) will be described in more detail and its characteristics compared to standard systems. Because of this new development there now is a growing interest to include a Moessbauer (MB) instrument in future space missions to other solar system bodies as for instance Venus, the terrestrial Moon, and a comet nucleus. Because of extremely different environmental conditions (e.g. nearly zero gravity on the surface of a comet nucleus, high pressure and temperature on the surface of Venus, etc.) different instrument designs and concepts are required for different missions. We will present some ideas for various types of missions, as well as the motivation for using Moessbauer spectroscopy in these cases. (orig.)

  1. High Energy Solar Spectroscopic Imager (HESSI) Team Investigations

    Science.gov (United States)

    Emslie, A. Gordon

    1998-01-01

    This report covers activities on the above grant for the period through the end of September 1997. The work originally proposed to be performed under a three-year award was converted at that time to a two-year award for the remainder of the period, and is now funded under award NAGS-4027 through Goddard Space Flight Center. The P.I. is a co-investigator on the High Energy Solar Spectroscopic Imager (HESSI) team, selected as a Small-Class Explorer (SNMX) mission in 1997. He has also been a participant in the Space Physics Roadmap Planning Group. Our research has been strongly influenced by the NASA mission opportunities related to these activities. The report is subdivided into four sections, each dealing with a different aspect of our research within this guiding theme. Personnel involved in this research at UAH include the P.I. and graduate students Michele Montgomery and Amy Winebarger. Much of the work has been carried out in collaboration with investigators at other institutions, as detailed below. Attachment: Laser wakefield acceleration and astrophysical applications.

  2. Microscopic and spectroscopic investigation of an explanted opacified intraocular lens

    Energy Technology Data Exchange (ETDEWEB)

    Simon, V., E-mail: viosimon@phys.ubbcluj.ro [Babeş-Bolyai University, Faculty of Physics and Interdisciplinary Research Institute on Bio-Nano-Sciences, 400084 Cluj-Napoca (Romania); Radu, T.; Vulpoi, A. [Babeş-Bolyai University, Faculty of Physics and Interdisciplinary Research Institute on Bio-Nano-Sciences, 400084 Cluj-Napoca (Romania); Rosca, C. [Optilens Clinic of Ophthalmology, 400604 Cluj-Napoca (Romania); Eniu, D. [Iuliu Haţieganu University of Medicine and Pharmacy, Department of Molecular Sciences, 400349 Cluj-Napoca (Romania)

    2015-01-15

    Highlights: • Changes on intraocular lens (IOL) surface after implantation. • Partial opacification of IOL central area. • Elemental composition on IOL surface prior to and after implantation. • First XPS depth profiling examination of the opacifying deposits. • Cell-mediated hydroxyapatite structuring. - Abstract: The investigated polymethylmethacrylate intraocular lens explanted an year after implantation presented a fine granularity consisting of ring-like grains of about 15 μm in diameter. In order to evidence the changes occurred on intraocular lens relative to morphology, elemental composition and atomic environments, microscopic and spectroscopic analyses were carried out using scanning electron microscopy (SEM), Fourier transform infrared (FTIR), energy-dispersive X-ray (EDS), and X-ray photoelectron (XPS) spectroscopies. The results revealed that the grains contain hydroxyapatite mineral phase. A protein layer covers the lens both in opacified and transparent zones. The amide II band is like in basal epithelial cells. The shape and size of the grains, and the XPS depth profiling results indicate the possibility of a cell-mediated process involving lens epithelial cells which fagocitated apoptotic epithelial cells, and in which the debris derived from cell necrosis were calcified. To the best of our knowledge, this is the first investigation on explanted intraocular lenses using XPS depth profiling in order to examine the inside of the opacifying deposits.

  3. Moessbauer study of tetramethylene bridged ferrocene derivatives Pt. 2

    International Nuclear Information System (INIS)

    Nagy, A.G.; Hillman, M.

    1978-01-01

    Suppositions for the molecular structure of trimethylene bridged ferrocene derivatives, i.e. for the tilt of cyclopentadienyl-rings and shortening of iron-ring distance, were supported by Moessbauer spectroscopic studies. The Moessbauer spectra of 1,1'-tetramethyleneferrocene and 1,1',3,3'-bis(tetramethylene)ferrocene were recorded by means of a constant acceleration type spectrometer using a 57 Co source in a chromium matrix. Simultaneous X-ray analysis of 1,1',3,3'-bis(trimethylene)ferrocene and 1,1',2,2',4,4'-tris(trimethylene)ferrocene confirmed the suppositions. (D.P.)

  4. Study of clays by means of Moessbauer spectoscopy

    International Nuclear Information System (INIS)

    Marticorena, B.

    1982-01-01

    A Moessbauer spectroscopic method has been applied to study layers of clays originating from different places and ceramic from Pachacamac, an archeological site near Lima. We have performed a Moessbauer analysis of the samples mentioned above, submitting them to a thermal treatment in order to determine the influcence on the mineral ferrous compounds of the time and the baking atmoshere. The results obtained do not allow us to conclude that such a method is useful either in the case of clays and/or ceramics which are coming from different places or of archeological

  5. Spectroscopic investigation of Indium Bromide for lighting purposes

    NARCIS (Netherlands)

    Mulders, H.C.J.; Kroesen, G.M.W.; Haverlag, M.; Haverlag, M.; Kroesen, G.M.W.; Tagushi, T.

    2010-01-01

    Laser Induced Fluorescence was used to study the radiative properties of InBr for lighting purposes. Results include the temperature dependence of the fluorescence decay time, spectroscopic constants and rotational temperature determination from a LIF spectrum.

  6. Improvement of the spectroscopic investigation of pellet ablation clouds

    International Nuclear Information System (INIS)

    Koubiti, M.; Ferri, S.; Godbert-Mouret, L.; Marandet, Y.; Rosato, J.; Stamm, R.; Goto, M.; Morita, S.

    2012-11-01

    The method allowing the characterization of the so-called ablation cloud of a pellet from its spectroscopic emission lines (intensities and shapes) is described. It is illustrated using measurements concerning carbon and aluminum pellets injected in the Large Helical Devices (LHD). The electron densities in pellet ablation clouds are sufficiently high that the energy levels of the main emitting species are at Local Thermodynamic Equilibrium (LTE). This justifies the electron temperature determination from the measured intensities using Boltzmann plots. In the case of carbon pellet, the C II 723 nm line was previously fitted with a convolution of a Lorentzian and a Gaussian profiles to determine the electron density. It is proposed here to use more elaborate theoretical profiles accounting for the Stark-Zeeman contributions in order to obtain more accurate plasma parameters especially for the high-resolution spectra in which both Zeeman and Stark features are visible. We present some preliminary comparisons with such spectra which were measured recently in LHD and discuss the possible improvement of the considered investigation technique once all the contributions to the line profile are effectively included. (author)

  7. Vibrational spectroscopic investigation of polymorphs and cocrystals of indomethacin.

    Science.gov (United States)

    Ali, Hassan Refat H; Alhalaweh, Amjad; Velaga, Sitaram P

    2013-05-01

    Identification of optimal solid form of an active pharmaceutical ingredient and form control are very important in drug development. Thus, the structural information of these forms and in-depth insight on the modes of molecular interactions are necessary, and vibrational spectroscopic methods are well suited for this purpose. In-depth structural analysis of different solid forms of indomethacin (IND) using Raman and infrared (IR) spectroscopy is the objective. We have investigated the modes of molecular interactions in polymorphs (α and γ), amorphous and discovered cocrystals of IND with nicotinamide (NIC) and trans-cinnamic acid (CIN) coformers. The solid forms of IND have been prepared; their purity has been verified by differential scanning calorimetry and powder X-ray diffractometry and then studied in the solid-state by Raman and IR spectroscopy. The modes of the interactions were closely investigated from the vibrational data. The key vibrational features of IND solid forms have been specified. The IR (C=O) band at 1713 cm(-1) attributed to cyclic acid dimer of γ IND has disappeared in IND-NIC/CIN whilst retained in IND-SAC cocrystal. IND cocrystallizes in different conformations and crystal lattices with different coformers. The cyclic acid dimer of IND has been kept on its cocrystallization with saccharin and it could have been broken with NIC and CIN. The complementary nature of Raman and IR spectroscopy allowed unambiguous investigation of the chemical composition of pharmaceutical materials which is of particular importance in the absence of detailed structural information, as in the case of IND-NIC and IND-CIN.

  8. Moessbauer backscatter spectrometer with full data processing capability

    International Nuclear Information System (INIS)

    1976-01-01

    The design and operation of a Moessbauer backscatter spectrometer with full data processing capability is described, and the investigation of the applicability of this technique to a variety of practical metallurgical problems is discussed

  9. Moessbauer study of amorphous Fe-P alloys

    International Nuclear Information System (INIS)

    Takacs, L.; Toth-Kadar, E.

    1981-01-01

    Preliminary Moessbauer results are represented on electrodeposited Fe-P amorphous alloys. Very broad hyperfine field distributions and relatively large isomer shifts have been found. Problems worth of further investigation are discussed in details. (author)

  10. Some analytical aspects of the Moessbauer spectrometry

    International Nuclear Information System (INIS)

    Meisel, W.

    1975-01-01

    Analytical applications of Moessbauer spectrometry are reviewed. Various methods of analysis (qualitative, semiquantitative and quantitative) using the Moessbauer effect are dealt with. Sensitivity and accuracy of Moessbauer spectrometry in analytical applications are discussed. (Z.S.)

  11. Polarized Moessbauer transitions

    International Nuclear Information System (INIS)

    Barb, D.

    1975-01-01

    Theoretical aspects of the emission, absorption and scattering of polarized gamma rays are reviewed for a general case of combined magnetic and electric hyperfine interactions; various possibilities of obtaining polarized gamma sources are described and examples are given of the applications of Moessbauer spectroscopy with polarized gamma rays in solving problems of solid state physics. (A.K.)

  12. Moessbauer characteristics of glauconitisation

    International Nuclear Information System (INIS)

    Kuzmann, E.; Weiszburg, T. G.; Toth, E.; Garg, V. K.

    2008-01-01

    57 Fe Moessbauer spectroscopy, X-ray diffraction and local (WDX, EDX) and bulk chemical methods (ICP-AES complemented with Fe 2+ titration) were used to study glauconites originating from three sandstone samples (NY1, NY3 and EWT) of the Upper Oligocene Eger Formation (Northern Hungary). The, during glauconitisation, increasing aggregate density and magnetic susceptibility offered a unique possibility to separate grains of different evolutionary stage from the same glauconite population. 57 Fe Moessbauer spectra of both structurally and chemically well characterised glauconite fractions were decomposed into four doublets. Two-two of the doublets were assigned to octahedral Fe 2+ and octahedral Fe 3+ . Fe 2+ /Fe values determined by Moessbauer measurements were used for the calculation of the chemical formula of glauconite samples [including octahedral occupancy (B O ) and octahedral charge (X O ) as well]. The gradual increase of Fe 2+ /Fe was documented with the increase of aggregate density in correlation with the foregoing of glauconitisation. Our results give a quantitative demonstration that octahedral occupancy (B O ) decrease and the substitution of octahedral Al by Fe 2+ are the major processes allowing the interlayer K incorporation during glauconitisation. The systematic crystalchemical evolution as reflected in the systematic changes of the Moessbauer data are discussed in terms of the subsequent steps of glauconitisation.

  13. Moessbauer spectroscopy in neptunium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Nakamoto, Tadahiro; Nakada, Masami; Masaki, Nobuyuki; Saeki, Masakatsu [Japan Atomic Energy Research Inst., Tokyo (Japan)

    1997-03-01

    Moessbauer effects are observable in seven elements of actinides from {sup 232}Th to {sup 247}Cm and Moesbauer spectra have been investigated mainly with {sup 237}Np and {sup 238}U for the reasons of availability and cost of materials. This report describes the fundamental characteristics of Moessbauer spectra of {sup 237}Np and the correlation between the isomer shift and the coordination number of Np(V) compounds. The isomer shifts of Np(V) compounds had a tendency to increase as an increase of coordination number and the isomer shifts of Np(V) compounds showed broad distribution as well as those of Np(VI) but {delta} values of the compounds with the same coordination number were distributed in a narrow range. The {delta} values of Np(VI) complexes with O{sub x} donor set suggest that the Np atom in its hydroxide (NpO{sub 2}(OH){center_dot}4H{sub 2}O)might have pentagonal bipyramidal structure and at least, pentagonal and hexagonal bipyramidal structures might coexist in its acetate and benzoate. Really, such coexistence has been demonstrated in its nitrate, (NpO{sub 2}){sub 2}(NO{sub 3}){sub 2}{center_dot}5H{sub 2}O. (M.N.)

  14. Moessbauer study of Slovak meteorites

    Energy Technology Data Exchange (ETDEWEB)

    Lipka, J.; Sitek, J.; Dekan, J., E-mail: julius.dekan@stuba.sk; Degmova, J. [Slovak University of Technology, Institute of Nuclear and Physical Engineering, Faculty of Electrical Engineering and Information Technology (Slovakia); Porubcan, V. [Comenius University, Faculty of Mathematics and Physics (Slovakia)

    2013-04-15

    {sup 57}Fe Moessbauer spectroscopy was used as an analytical tool in the investigation of iron containing compounds of two meteorites (Rumanova and Kosice) out of total of six which had fallen on Slovak territory. In the magnetic fraction of the iron bearing compounds in the Rumanova meteorite, maghemite, troilite and Fe-Ni alloy were identified. In the non-magnetic fraction silicate phases were found, such as olivine and pyroxene. The paramagnetic component containing Fe{sup 3 + } ions corresponds probably to small superparamagnetic particles. The Kosice meteorite was found near the town of Kosice in February 2010. Its magnetic fraction consists of a Fe-Ni alloy with the Moessbauer parameters of the magnetic field corresponding to kamacite {alpha}-Fe(Ni, Co) and troilite. The non-magnetic part consists of Fe{sup 2 + } phases such as olivine and pyroxene and traces of a Fe{sup 3 + } phase. The main difference between these meteorites is their iron oxide content. These kinds of analyses can bring important knowledge about phases and compounds formed in extraterrestrial conditions, which have other features than their terrestrial analogues.

  15. Moessbauer Study of Discoloration of Synthetic Resin Covered Electric Switches

    International Nuclear Information System (INIS)

    Kuzmann, E.; Muzsay, I.; Homonnay, Z.; Vertes, A.

    2002-01-01

    57 Fe Moessbauer spectroscopy and X-ray diffractometry were used to investigate brown discoloration and sediments formed on the surface of synthetic resin product covered electronic switches. The Moessbauer measurement revealed that alloyed steels and iron-containing corrosion products are associated with the discolored layers. Iron, and iron corrosion products were shown by both MS and XRD in the sediments formed eventually during the finishing of the synthetic resin products after machining and washing with water solution.

  16. Ultrafast spectroscopic investigation of a fullerene poly(3-hexylthiophene) dyad

    Science.gov (United States)

    Banerji, Natalie; Seifter, Jason; Wang, Mingfeng; Vauthey, Eric; Wudl, Fred; Heeger, Alan J.

    2011-08-01

    We present the femtosecond spectroscopic investigation of a covalently linked dyad, PCB-P3HT, formed by a segment of the conjugated polymer P3HT (regioregular poly(3-hexylthiophene)) that is end capped with the fullerene derivative PCB ([6,6]-phenyl-C61-butyric acid ester), adapted from PCBM. The fluorescence of the P3HT segment in tetrahydrofuran (THF) solution is reduced by 64% in the dyad compared to a control compound without attached fullerene (P3HT-OH). Fluorescence upconversion measurements reveal that the partial fluorescence quenching of PCB-P3HT in THF is multiphasic and occurs on an average time scale of 100 ps, in parallel to excited-state relaxation processes. Judging from ultrafast transient absorption experiments, the origin of the quenching is excitation energy transfer from the P3HT donor to the PCB acceptor. Due to the much higher solubility of P3HT compared to PCB in THF, the PCB-P3HT dyad molecules self-assemble into micelles. When pure C60 is added to the solution, it is incorporated into the fullerene-rich center of the micelles. This dramatically increases the solubility of C60 but does not lead to significant additional quenching of the P3HT fluorescence by the C60 contained in the micelles. In PCB-P3HT thin films drop-cast from THF, the micelle structure is conserved. In contrast to solution, quantitative and ultrafast (microscopy images. Ultrafast charge separation occurs also for the fibrous morphology, but the transient absorption experiments show fast loss of part of the charge carriers due to intensity-induced recombination and annihilation processes and monomolecular interfacial trap-mediated or geminate recombination. The yield of the long-lived charge carriers in the highly organized fibers is however comparable to that obtained with annealed P3HT:PCBM blends. PCB-P3HT can therefore be considered as an active material in organic photovoltaic devices.

  17. Moessbauer, electron paramagnetic resonance and magnetic susceptibility studies of photosensitive nitrile hydratase from Rhodococcus sp. N-771

    International Nuclear Information System (INIS)

    Nagamune, Teruyuki; Honda, Jun; Kobayashi, Yoshio; Sasabe, Hiroyuki; Endo, Isao; Ambe, Fumitoshi; Teratani, Yoshitaka; Hirata, Akira

    1992-01-01

    Moessbauer, magnetic susceptibility and electron paramagnetic resonance (EPR) studies of inactive and photoactivated NHase enzymes were performed to elucidate the electronic change of non-heme two-iron atom center of the enzyme by photoactivation. These spectroscopic investigations revealed that both the two iron atoms of the active NHase could be assigned to low-spin ferric state, and those of the inactive NHase could each be assigned to low-spin ferric and low-spin ferrous ones. From these results, it was concluded that one of the non-heme iron atoms is oxidized in the inactive NHase during photoactivation. (orig.)

  18. Moessbauer studies of malaria

    International Nuclear Information System (INIS)

    Bauminger, E.R.; Ofer, S.; Ginsburg, H.; Yayon, A.

    1983-01-01

    Moessbauer studies of rat and human erythrocytes infected by malarial parasites have been carried out. Different parameters of the pigment iron were obtained in human and rat infected red blood cells. No difference was found between the parameters obtained in rat erythrocytes infected by drug sensitive and drug resistant strains of P. berghei, both before and after the treatment with chloroquine. The pigment was shown to contain a trivalent, high spin iron compound, which is different from hematin. (Auth.)

  19. Studies of. gamma. -ray irradiation effects on tris(. beta. -diketonato)iron(III) and cobalt(III) coordination compounds by means of Moessbauer spectroscopy and magnetic susceptibility measurements

    Energy Technology Data Exchange (ETDEWEB)

    Sakai, Y.; Endo, K.; Sano, H. (Tokyo Metropolitan Univ. (Japan). Faculty of Science)

    1981-06-01

    Both absorption Moessbauer spectroscopy and magnetic susceptibility measurements on tris(..beta..-diketonato)iron(III) and cobalt(III) compounds indicate that ligands which have phenyl group as a substituent are more stable to ..gamma..-ray radiolysis, in accordance with previous results of emission Moessbauer spectroscopic studies of /sup 57/Co-labelled tris (..beta..-diketonato)cobalt(III) compounds.

  20. Advances in Moessbauer data analysis

    International Nuclear Information System (INIS)

    Souza, Paulo A. de

    1998-01-01

    The whole Moessbauer community generates a huge amount of data in several fields of human knowledge since the first publication of Rudolf Moessbauer. Interlaboratory measurements of the same substance may result in minor differences in the Moessbauer Parameters (MP) of isomer shift, quadrupole splitting and internal magnetic field. Therefore, a conventional data bank of published MP will be of limited help in identification of substances. Data bank search for exact information became incapable to differentiate the values of Moessbauer parameters within the experimental errors (e.g., IS = 0.22 mm/s from IS = 0.23 mm/s), but physically both values may be considered the same. An artificial neural network (ANN) is able to identify a substance and its crystalline structure from measured MP, and its slight variations do not represent an obstacle for the ANN identification. A barrier to the popularization of Moessbauer spectroscopy as an analytical technique is the absence of a full automated equipment, since the analysis of a Moessbauer spectrum normally is time-consuming and requires a specialist. In this work, the fitting process of a Moessbauer spectrum was completely automated through the use of genetic algorithms and fuzzy logic. Both software and hardware systems were implemented turning out to be a fully automated Moessbauer data analysis system. The developed system will be presented

  1. 57Fe Moessbauer studies on Ni-Mo system in the critical region

    International Nuclear Information System (INIS)

    Das, D.; Chintalapudi, S.N.; Mukhopadhyay, P.K.; Mookerjee, A.; Mukherjee, G.D.

    2001-01-01

    Disordered magnetic system NiMo is investigated in the critical region (Mo concentration 10 and 11 wt %) using Moessbauer spectroscopy as a local probe. 57 Co activity has been diffused in the alloy and is used at the source while stainless steel is used as standard absorber. Moessbauer spectrum of the alloy showed a sharp singlet at room temperature which indicates that 57 Co atoms have gone to the substitutional site. Below 200 K, Moessbauer spectra indicate complicated hyperfine interactions and more than one magnetic phase in the samples. Moessbauer results are corroborated by ac susceptibility, resistivity and positron annihilation Doppler broadening measurements. (author)

  2. Moessbauer Studies of Implanted Impurities in Solids

    CERN Multimedia

    2002-01-01

    Moessbauer studies were performed on implanted radioactive impurities in semiconductors and metals. Radioactive isotopes (from the ISOLDE facility) decaying to a Moessbauer isotope were utilized to investigate electronic and vibrational properties of impurities and impurity-defect structures. This information is inferred from the measured impurity hyperfine interactions and Debye-Waller factor. In semiconductors isoelectronic, shallow and deep level impurities have been implanted. Complex impurity defects have been produced by the implantation process (correlated damage) or by recoil effects from the nuclear decay in both semiconductors and metals. Annealing mechanisms of the defects have been studied. \\\\ \\\\ In silicon amorphised implanted layers have been recrystallized epitaxially by rapid-thermal-annealing techniques yielding highly supersaturated, electrically-active donor concentrations. Their dissolution and migration mechanisms have been investigated in detail. The electronic configuration of Sb donors...

  3. Moessbauer spectroscopy of locally inhomogeneous systems

    International Nuclear Information System (INIS)

    Rusakov, V. S.; Kadyrzhanov, K. K.

    2004-01-01

    Substances with characteristic local inhomogeneities - with different from position to position neighborhood and properties of like atoms - gain recently increased scientific attention and wide practical application. We would call a system locally inhomogeneous if atoms in the system are in non-equivalent atomic locations and reveal different properties. Such systems are, first of all, variable composition phases, amorphous, multi-phase, admixture, defect and other systems. LIS are most convenient model objects for studies of structure, charge, and spin atomic states, interatomic interactions, relations between matter properties and its local characteristics as well as for studies of diffusion kinetics, phase formation, crystallization and atomic ordering; all that explains considerable scientific interest in such LIS. Such systems find their practical application due to wide spectrum of useful, and sometimes unique, properties that can be controlled varying character and degree of local inhomogeneity. Moessbauer spectroscopy is one of the most effective methods for investigation of LIS. Local character of obtained information combined with information on cooperative phenomena makes it possible to run investigations impossible for other methods. Moessbauer spectroscopy may provide with abundant information on peculiarities of macro- and microscopic state of matter including that for materials without regular structure. At the same time, analysis, processing and interpretation of Moessbauer spectra for LIS (that are sets of a large amount of partial spectra) face considerable difficulties. Development of computer technique is accompanied with development of mathematical methods used for obtaining physical information from experimental data. The methods make it possible to improve considerably, with some available a priori information, effectiveness of the research. Utilization of up-to-date mathematical methods in Moessbauer spectroscopy requires not only adaptation

  4. Biological applications of the Moessbauer effect

    International Nuclear Information System (INIS)

    Boulay, P.

    1968-12-01

    The applications of Moessbauer spectrometry in the fields of physics and chemistry have been increasing steadily since its discovery in 1958. Attempts have been made to find applications in biology. Two possibilities of investigation exist in this field: the study of mechanical or vibrational movements in certain animal organs, and the determination of the organic molecular structure in a biological context. An example is given of each of these possibilities. (author) [fr

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  6. Moessbauer study of hemoglobin of diabetes

    International Nuclear Information System (INIS)

    Li Aiguo; Ni Xinbo; Cai Yingwen; Zhang Guilin; Zhang Hongde; Ge Yongxin

    2000-01-01

    The hemoglobins from normal adults (Gly-Hb 5%), people infected with diabetes (Gly-Hb 10%) and serious diabetics (Gly-Hb 15%) were investigated by Moessbauer spectroscopy at liquid nitrogen temperature. All the experimental spectra of hemoglobin are composed of three doublets corresponding to oxy-hemoglobin (Oxy-Hb), deoxy-hemoglobin (Deoxy-Hb) and low-spin hemo-chrome (Ls-Hemo) respectively. It is found that Oxy-Hb is decreasing but Deoxy-hb increasing for diabetes. Experimental results also indicate that the line-width of Moessbauer spectra of Oxy-Hb for diabetics is narrower than that for normal adults, showing that while Fe on Oxy-Hb exists in pile-up of some similar states for normal adults, but it becomes in single state for serious diabetes

  7. Moessbauer effect and vacancy diffusion

    International Nuclear Information System (INIS)

    Gunther, L.

    1976-01-01

    A dynamical theory of vacancy diffusion which was motivated by the need to explain recent experimental results for the Moessbauer spectra of Fe in Cu, Fe in Au and Fe in Al is presented. Diffusion in these systems is dominated by the vacancy mechanism, which involves strong correlations between successive jumps. The theory developed by Singwi and Sjoelander for the Moessbauer spectrum of a diffusing nucleus is therefore not applicable. The inverse of the normalized Moessbauer spectrum evaluated at zero frequency is introduced as a useful means of comparing experimental with theoretical spectral widths

  8. Moessbauer spectroscopy as a tool in astrobiology

    Energy Technology Data Exchange (ETDEWEB)

    Schroeder, Christian, E-mail: schroedc@uni-mainz.de; Klingelhoefer, Goestar, E-mail: klingel@mail.uni-mainz.de [Johannes Gutenberg-Universitaet, Institut fuer Anorganische Chemie und Analytische Chemie (Germany); Bailey, Brad E., E-mail: bebailey@ucsd.edu; Staudigel, Hubert, E-mail: hstaudigel@ucsd.edu [University of California San Diego, Institute of Geophysics and Planetary Physics, Scripps Institution of Oceanography (United States)

    2005-11-15

    Two miniaturized Moessbauer spectrometers are part of the Athena instrument package of the NASA Mars Exploration Rovers, Spirit and Opportunity. The primary objectives of their science investigation are to explore two sites on the surface of Mars where water may once have been present, and to assess past environmental conditions at those sites and their suitability for life. Aqueous minerals - jarosite at Meridiani Planum, Opportunity's landing site, and goethite in the Columbia Hills in Gusev Crater, Spirit's landing site - were identified by Moessbauer spectroscopy, thus providing in situ proof of water being present at those sites in the past. The formation of jarosite in particular puts strong constraints on environmental conditions during the time of formation and hence on the evaluation of potential habitability. On Earth Moessbauer spectroscopy was used to investigate microbially induced changes in Fe oxidation states and mineralogy at the Loihi deep sea mount, a hydrothermal vent system, which might serve as an analogue for potential habitats in the Martian subsurface and the sub-ice ocean of Jupiter's icy moon Europa.

  9. Moessbauer spectroscopy as a tool in astrobiology

    International Nuclear Information System (INIS)

    Schroeder, Christian; Klingelhoefer, Goestar; Bailey, Brad E.; Staudigel, Hubert

    2005-01-01

    Two miniaturized Moessbauer spectrometers are part of the Athena instrument package of the NASA Mars Exploration Rovers, Spirit and Opportunity. The primary objectives of their science investigation are to explore two sites on the surface of Mars where water may once have been present, and to assess past environmental conditions at those sites and their suitability for life. Aqueous minerals - jarosite at Meridiani Planum, Opportunity's landing site, and goethite in the Columbia Hills in Gusev Crater, Spirit's landing site - were identified by Moessbauer spectroscopy, thus providing in situ proof of water being present at those sites in the past. The formation of jarosite in particular puts strong constraints on environmental conditions during the time of formation and hence on the evaluation of potential habitability. On Earth Moessbauer spectroscopy was used to investigate microbially induced changes in Fe oxidation states and mineralogy at the Loihi deep sea mount, a hydrothermal vent system, which might serve as an analogue for potential habitats in the Martian subsurface and the sub-ice ocean of Jupiter's icy moon Europa.

  10. Spectroscopic investigations on oxidized multi-walled carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Anandhi, C. M. S.; Premkumar, S.; Asath, R. Mohamed; Mathavan, T.; Benial, A. Milton Franklin, E-mail: miltonfranklin@yahoo.com [Department of Physics, N.M.S.S.V.N. College, Madurai-625 019, Tamil Nadu (India)

    2016-05-06

    The pristine multi-walled carbon nanotubes (MWCNTs) were oxidized by the ultrasonication process. The oxidized MWCNTs were characterized by the X-ray diffraction (XRD), ultraviolet–visible (UV-Vis) and Fourier transform -Raman (FT-Raman) spectroscopic techniques. The XRD analysis confirms that the oxidized MWCNTs exist in a hexagonal structure and the sharp XRD peak corresponds to the (002) Bragg’s reflection plane, which indicates that the MWCNTs have higher crystalline nature. The UV-Vis analysis confirms that the MWCNTs functionalized with the carboxylic acid. The red shift was observed corresponds to the D band in the Raman spectrum, which reveals that the reduced disordered graphitic structure of oxidized MWCNTs. The strong Raman peak was observed at 2563 cm{sup -1} corresponds to the overtone of the D band, which is the characteristic vibrational mode of oxidized MWCNTs. The carboxylic acid functionalization of MWCNTs enhances the dispersibility, which paves the way for potential applications in the field of biosensors and targeted drug delivery.

  11. Moessbauer Spectroscopy in Materials Science

    International Nuclear Information System (INIS)

    2006-01-01

    The publication in electronic form has been set up as proceedings of the conference dealing with applications of the Moessbauer spectroscopy in material science. Twenty-three abstracts and twenty-two presentations are included.

  12. A versatile Moessbauer analysis program

    International Nuclear Information System (INIS)

    Jernberg, P.; Sundqvist, T.

    1983-06-01

    MDA - Moessbauer Data Analysis, is a user oriented computer program, aiming to simulate a Moessbauer transmission spectrum, given by a set of parameters, and compare it with experimental data. The calculation considers a number of experimental situations and the comparisons can be made by least squares sums or by plotting the simulated and the measured spectrum. A fitting routine, minimizing the least squares sum, can be used to find the parameters characterizing the measured spectrum.(author)

  13. Moessbauer and ESCA investigations on the formation of oxidic iron phases in aqueous solution under the influence of organic corrosion inhibitors

    International Nuclear Information System (INIS)

    Guetlich, P.; Meisel, W.; Mohs, E.

    1982-01-01

    Corrosions layers on steel grown in water of well defined hardness and chloride concentration were studied by Moessbauer and ESCA spectroscopy with particular emphasis on the influence of added organic inhibitors. Relatively thick layers were found with an unexpectedly small iron content (as FeOOH). The layers contain a remarkable amount of constituent ions from the solution and fragments of the inhibitors. The latter seem to be decomposed by the corrosive medium. It is assumed that the whole organic molecule determines the kind of transportation of the inhibitor to the iron metal, but that the inhibition itself is due to functional groups only. (orig.) [de

  14. Moessbauer investigation of static-disorder crystalline media. V. Hyperfine fields' dispersion in static-disordered crystalline media of tetragonal and trigonal iron germanates

    International Nuclear Information System (INIS)

    Constantinescu, S.

    2007-01-01

    The refined 57 Fe Moessbauer spectra of some static-disordered crystalline media (with melilite and Ca-gallate structure) evidenced observable electric and magnetic crystal field dispersions. It is the fifth in a series of papers published previously in the same journal on this subject. The data of crystalline hyperfine fields and their dispersion parameters have calculated using the modeling procedure given in a paper by Kaminskii, et al. published in 1986. The obtained values of the magnetic and quadrupole splitting parameters compared with to experimental data showed the possibility to predict the crystal fields' dispersion. (author)

  15. Proceedings of 4 conference on hyperfine interaction spectroscopic investigations

    International Nuclear Information System (INIS)

    Shpinel', V.S.

    1992-01-01

    Results of theoretical and experimental investigations on nuclear-spectroscopy of hyperfine interactions are presented. Possibility of the data use for technological and materials sceince problems is demonstrated

  16. The history of the Moessbauer effect

    CERN Document Server

    Miglierini, M

    2003-01-01

    The background of the discovery of the Moessbauer effect and the development of Moessbauer spectrometry as an analytical technique are highlighted. The basic principles and instrumentation, application fields, and trends of future progress and outlined and discussed

  17. Moessbauer effect technique in mineral science

    International Nuclear Information System (INIS)

    Raclavsky, K.; Egiazarov, B.G.

    1975-01-01

    A survey is presented of literature devoted to the application of the Moessbauer effect in practical work. Significant problems are pointed to of applying Moessbauer spectroscopy in specific fields. An extensive list of references is annexed. (L.O.)

  18. Moessbauer investigation of Sm{sub 2}Fe{sub 17-x}Ga{sub x} powders at different steps of the HDDR process

    Energy Technology Data Exchange (ETDEWEB)

    Steyaert, S.; Breton, J.-M. le; Teillet, J. [Rouen Univ. (France). Groupe de Metall. Phys.; Kubis, M.; Handstein, A.; Mueller, K.H. [Rouen Univ. (France). Groupe de Metall. Phys.]|[Institut fuer Festkoerper- und Werkstofforschung Dresden e.V. (Germany). Inst. fuer Metallische Werkstoffe

    1998-07-01

    Sm{sub 2}Fe{sub 17-x}Ga{sub x} powders (x=0,0.5,1,2) obtained at different steps of the HDDR process were analysed by Moessbauer spectrometry. For the homogenised powders, the mean hyperfine field of the Sm{sub 2}Fe{sub 17-x}Ga{sub x} contribution increases with Ga content in agreement with a lattice expansion. The anisotropy change from planar to uniaxial is confirmed in samples with x = 2. In the hydrogenated powders, the value of the mean hyperfine field of Sm{sub 2}Fe{sub 17-x}Ga{sub x}H{sub y} is greater than that of Sm{sub 2}Fe{sub 17-x}Ga{sub x} in the corresponding homogenised powders, in agreement with the presence of hydrogen in the 2:17 structure. It decreases with increasing Ga amount, suggesting that the H content in the Sm{sub 2}Fe{sub 17-x}Ga{sub x}H{sub y} phase decreases with increasing Ga content. In the disproportionated powders, the disproportionation reaction is incomplete for x {>=} 1 as the contributions of both the Sm{sub 2}Fe{sub 17-x}Ga{sub x}H{sub y} and {alpha}-Fe(Ga) phases are observed in the corresponding Moessbauer spectra. This indicates that for x {>=} 1 the hydrogen diffusion is inhibited during hydrogenation. (orig.)

  19. Study of iron exchanged zeolites by Moessbauer effect and electron spin resonance spectroscopy

    International Nuclear Information System (INIS)

    Aguirre Campuzano, C.E.

    1993-01-01

    Crystalline iron exchanged NaY zeolites, prepared from aqueous solutions and calcined at atmospheric conditions, have been studied and characterized by XRD, Moessbauer and EPR spectroscopies and TGA analysis. Three iron sites are clearly distinguished from Moessbauer and EPR measurements. Firstly, characteristic Moessbauer and EPR spectra may arise from framework sites, suggesting that Fe has substituted Al. It is also found that their spectroscopic signals are not intensity affected by thermal treatments. Secondly, a Moessbauer doublet which may arise from octahedral sites in the large cavity of the zeolite, shows however, that this doublet and its EPR signal are intensity temperature affected. An additional line broadening is observed on the low velocity line of this doublet, Thirdly, characteristic Moessbauer and EPR signals, which are also intensity temperature dependent have been associated to accluded material, where the Moessbauer doublet presents the line broadening effect before mentioned. Such line broadening effect may be due to perturbing signals from iron ions in tetrahedral sites. Finally, it has been observed that during calcination of the FeY zeolites, the three characteristic EPR signals for the three iron sites, do not increase at the expenses of the other. A result that may suggest a strong bonding between Fe-site of the Y zeolite, irrespective of the iron source. (Author)

  20. Nuclear spectroscopic investigations of the decay of /sup 155/Eu

    Energy Technology Data Exchange (ETDEWEB)

    Patt, B H

    1974-01-01

    The investigations carried out on the ..beta..-decay of /sup 155/Eu confirm some decay data of this nucleus and explain a few disagreements on the decay scheme. Using the half-life, the ..beta..-boundary energies and branching ratios, the log ft values of the individual ..beta..-transitions were calculated. Finally, by means of ..beta gamma..-coincidence measurements on the semiconductor spectrometer, the inner partial spectra ..beta../sub 3/ and ..beta../sub 4/ were separated for the first time. Form factor investigations were carried out on these spectra which, despite the high log ft values, confirm the allowed character of these transitions.

  1. Investigation of intervertebral disc degeneration using multivariate FTIR spectroscopic imaging

    NARCIS (Netherlands)

    Mader, Kerstin T.; Peeters, Mirte; Detiger, Suzanne E. L.; Helder, Marco N.; Smit, Theo H.; Le Maitre, Christine L.; Sammon, Chris

    2016-01-01

    Traditionally tissue samples are analysed using protein or enzyme specific stains on serial sections to build up a picture of the distribution of components contained within them. In this study we investigated the potential of multivariate curve resolution-alternating least squares (MCR-ALS) to

  2. Molecular Sensors for Moisture Detection by Moessbauer Spectroscopy

    International Nuclear Information System (INIS)

    Renz, F.; Souza, P. A. de; Klingelhoefer, G.; Goodwin, H. A.

    2002-01-01

    A parameter of importance in various industrial and commercial applications is sensitivity to moisture. A new class of molecular sensors which enable the qualitative and quantitative determination of air moisture (high selectivity and sensitivity) by application of Moessbauer spectroscopy as the probe technique has been investigated. The electronic properties of the iron-containing sensor depend upon the presence of moisture which is taken up by it and this process is accompanied by a change in electronic spin ground state which can be detected by Moessbauer spectroscopy. The sensor is suitable for in-field and industrial application using the recently developed Moessbauer spectrometer MIMOS II. Possible suitability for the detection of moisture in extraterrestrial environments is considered.

  3. Moessbauer sum rules for use with synchrotron sources

    International Nuclear Information System (INIS)

    Lipkin, H.J.

    1995-01-01

    The availability of tunable synchrotron radiation sources with millivolt resolution has opened prospects for exploring dynamics of complex systems with Moessbauer spectroscopy. Early Moessbauer treatments and moment sum rules are extended to treat inelastic excitations measured in synchrotron experiments, with emphasis on the unique conditions absent in neutron scattering and arising in resonance scattering: prompt absorption, delayed emission, recoilfree transitions, and coherent forward scattering. The first moment sum rule normalizes the inelastic spectrum. Sum rules obtained for higher moments include the third moment proportional to the second derivative of the potential acting on the Moessbauer nucleus and independent of temperature in the harmonic approximation. Interesting information may be obtained on the behavior of the potential acting on this nucleus in samples not easily investigated with neutron scattering, e.g., small samples, thin films, time-dependent structures, and amorphous-metallic high pressure phases

  4. Terahertz spectroscopic investigation of gallic acid and its monohydrate

    Science.gov (United States)

    Zhang, Bo; Li, Shaoping; Wang, Chenyang; Zou, Tao; Pan, Tingting; Zhang, Jianbing; Xu, Zhou; Ren, Guanhua; Zhao, Hongwei

    2018-02-01

    The low-frequency spectra of gallic acid (GA) and its monohydrate were investigated by terahertz time-domain spectroscopy (THz-TDS) in the range of 0.5 to 4.5 THz. The dehydration process of GA monohydrate was monitored on-line. The kinetic mechanism of the dehydration process was analyzed depending on the THz spectral change at different temperatures. The results indicate that the diffusion of water molecule dominates the speed of the entire dehydration process. Solid-state density functional theory (DFT) calculations of the vibrational modes of both GA and its monohydrate were performed based on their crystalline structures for better interpreting the experimental THz spectra. The results demonstrate that the characterized features of GA mainly originate from the collective vibrations of molecules. And the interactions between GA and water molecules are responsible for THz fingerprint of GA monohydrate. Multi-techniques including differential scanning calorimetry and thermogravimetry (DSC-TG) and powder X-ray diffraction (PXRD) were also carried out to further investigate GA and its monohydrate.

  5. In-vivo morphologic and spectroscopic investigation of Psoriasis

    Science.gov (United States)

    Kapsokalyvas, Dimitrios; Cicchi, Riccardo; Bruscino, Nicola; Alfieri, Domenico; Massi, Daniela; Lotti, Torello; Pavone, Francesco S.

    2011-07-01

    Psoriasis is an autoimmune disease of the skin characterized by hyperkeratosis, hyperproliferation of the epidermis, inflammatory cell accumulation and increased dilatation of dermal papillary blood vessels. Cases of psoriasis were investigated in vivo with optical means in order to evaluate the potential of in vivo optical biopsy. A Polarization Multispectral Dermoscope was employed for the macroscopic observation. Features such as the 'dotted' blood vessels pattern was observed with high contrast. High resolution image sections of the epidermis and the dermis were produced with a custom made Multiphoton Microscope. Imaging extended from the surface of the lesion down to the papillary dermis, at a depth of 200 μm. In the epidermis, a characteristic morphology of the stratum corneum found only in Psoriasis was revealed. Additionally, the cytoplasmic area of the cells in the stratum spinosum layer was found to be smaller than normal. In the dermis the morphological features were more pronounced, where the elongated dermal papillae dominated the papillary layer. Their length exceeds 100μm, which is a far greater value compared to that of healthy skin. These in vivo observations are consistent with the ex vivo histopathological observations, supporting both the applicability and potentiality of multispectral dermoscopy and multiphoton microscopy in the field of in vivo optical investigation and biopsy of skin.

  6. Spectroscopic investigation of Ni speciation in hardened cement paste.

    Science.gov (United States)

    Vespa, M; Dähn, R; Grolimund, D; Wieland, E; Scheidegger, A M

    2006-04-01

    Cement-based materials play an important role in multi-barrier concepts developed worldwide for the safe disposal of hazardous and radioactive wastes. Cement is used to condition and stabilize the waste materials and to construct the engineered barrier systems (container, backfill, and liner materials) of repositories for radioactive waste. In this study, Ni uptake by hardened cement paste has been investigated with the aim of improving our understanding of the immobilization process of heavy metals in cement on the molecular level. X-ray absorption spectroscopy (XAS) coupled with diffuse reflectance spectroscopy (DRS) techniques were used to determine the local environment of Ni in cement systems. The Ni-doped samples were prepared at two different water/cement ratios (0.4, 1.3) and different hydration times (1 hour to 1 year) using a sulfate-resisting Portland cement. The metal loadings and the metal salts added to the system were varied (50 up to 5000 mg/kg; NO3(-), SO4(2-), Cl-). The XAS study showed that for all investigated systems Ni(ll) is predominantly immobilized in a layered double hydroxide (LDH) phase, which was corroborated by DRS measurements. Only a minor extent of Ni(ll) precipitates as Ni-hydroxides (alpha-Ni(OH)2 and beta-Ni(OH)2). This finding suggests that Ni-Al LDH, rather than Ni-hydroxides, is the solubility-limiting phase in the Ni-doped cement system.

  7. High resolution Moessbauer spectroscopy with 67Zn in metallic systems

    International Nuclear Information System (INIS)

    Potzel, W.

    1985-01-01

    Moessbauer experiments on metallic systems are described where the high resolution 93.3 keV resonance in 67 Zn is used. In the first part, the Cu-Zn alloy system is investigated and the high energy resolution of this Moessbauer transition is employed to determine small changes of the s-electron density at the 67 Zn nucleus when the Zn concentration is changed. In the second part, Zn metal is taken as an example to demonstrate that the 93.3 keV transition is also extremely sensitive to small changes of lattice dynamical effects. 7 refs., 18 figs. (author)

  8. Photometric and spectroscopic investigation of carbon stars. 1

    International Nuclear Information System (INIS)

    Vetesnik, M.

    1984-01-01

    The photoelectric light curves for carbon star UX Dra were derived in three colours and are discussed. Their shape shows a regular alternation of one deep and one shallow minima, which suggest the light curve of an eclipsing binary. The period variations of the star are analyzed on the basis of old photographic observations. The radial velocity curve of the star based on the measurements of the Swan molecular bands C 2 (1,0) and C 2 (0,1) exhibits a minimum preceding the primary light minima by about 0.15 P. The period P is 336 days, i.e. twice the mean period observed so far for the light variations of the star. The total absorption in the Swan molecular bands in dependence on the light phase of the star is investigated. The period of variability in molecular absorption equals the period of the radial velocity curve. Three possible mechanisms are considered to explain the light, radial velocity and molecular absorption chanqes of the star: radial pulsations, rotation of a heterogeneous single star, and occultations of two revolving components in a binary system. (author)

  9. Laser spectroscopic investigation of singly and doubly charged thorium ions

    Energy Technology Data Exchange (ETDEWEB)

    Thielking, Johannes; Meier, David-Marcel; Glowacki, Przemyslaw; Okhapkin, Maksim V.; Peik, Ekkehard [Physikalisch-Technische Bundesanstalt, Braunschweig (Germany)

    2017-07-01

    The {sup 229}Th isotope possesses a unique, low-energy nuclear isomeric state at about 7.8(5) eV. This fact has stimulated the development of novel ideas in the borderland between atomic and nuclear physics, for example the use as an optical nuclear clock. Since the required precise information on the isomer energy is not yet available, it is intensely searched for using different experimental approaches. For the excitation of the nuclear isomer via electronic bridge or NEET processes, we plan to use two-photon laser excitation of high-lying electronic levels in Th{sup +}. We recently expanded our search range to higher energies and measured 38 previously unknown energy levels in the range from 7.8 eV to 8.7 eV. We also prepare to study the nuclear structure of the isomeric state in cooperation with the Maier-Leibnitz-Laboratorium at LMU Munich, using trapped recoil ions, where the isomeric state is populated via α-decay from {sup 233}U. For this purpose we investigate the hyperfine structure of suitable transitions of Th{sup 2+}.

  10. Bonding of radioactive contamination. III. Auger electron spectroscopic investigation

    International Nuclear Information System (INIS)

    Rankin, W.N.; Whitkop, P.G.

    1983-01-01

    The mechanisms by which radioactive contamination would be bonded to a DWPF canister surface are being investigated. Tests with low pressure water and air-injected water decontamination of radioactive specimens showed that bonding of contamination increases rapidly with postoxidation temperature. Even with the least severe temperature conditions expected on the waste glass canister, bonding is so great that decontamination cannot be affected by water-only techniques. A preoxidation film increased rather than decreased bonding. This memorandum describes detailed surface analyses of coupons simulating DWPF canister surfaces. Based on this examination we conclude: contamination will be dispersed throughout the oxide film on DWPF canisters. Contamination is concentrated at the surface, decreasing farther into the oxide film; some samples contain sludge contamination at the steel/oxide interface. This was not the case for semi-volatile (Cs 2 O) contamination; in samples with contamination at the steel/oxide interface, at least 80% of the contamination is usually in the oxide layer; no difference in contamination dispersion between preoxidized and non-preoxidized samples was found; and postoxidation atmosphere had no effect on the contamination dispersion within the oxide layer. 6 references, 9 figures

  11. The Moessbauer community in the USA

    International Nuclear Information System (INIS)

    Stevens, J. G.; Khasanov, A. M.; Hall, N. F.; Khasanova, I. A.

    2006-01-01

    Scientists in the United States assumed major roles in developing the Moessbauer community during its early years. However, since the termination of the Moessbauer Effect Methodology meetings in 1976, there has been little in the way of regular Moessbauer meetings in the United States. Nevertheless, there is an active United States Moessbauer community, as noted by the number of annual publications - 156 in 2004. In recent decades, attendance of Moessbauer researchers from the United States at the International Conferences on the Applications of the Moessbauer Effect (ICAME) has been far below what would be expected from the number of contributions in the Moessbauer literature. Attempts have been made, unsuccessfully, to arrange for regular Moessbauer meetings. Models for possible future Moessbauer meetings of US scientists are discussed, including a regular biannual meeting, and another being a virtual Moessbauer conference. Also discussed are other models to maintaining an active Moessbauer community in the United States, making use of information technologies that are available to us along with other resources we can use.

  12. Moessbauer study of iron diffusion in beryllium

    International Nuclear Information System (INIS)

    Sepiol, B.; Ruebenbauer, K.; Miczko, B.; Birchall, T.

    1991-01-01

    The broadening of the 14.41 keV Moessbauer line of 57 Fe dure to diffusion of iron atoms in polycrystalline beryllium has been investigated in the temperature range 1123 to 1423 K. The observed broadenings obey the Arrhenius law with activation energy 1.66(10) eV, i.e., lower than that obtained from the corresponding polycrystalline tracer data. The variations of the resonant fraction, second order Doppler shift and quadrupole splitting versus temperature are reported. An average diffusion coefficient has been calculated from the obtained broadenings and compared with the tracer results. (orig.)

  13. Moessbauer effect and its applications

    International Nuclear Information System (INIS)

    Butt, N.M.; Arshad, M.

    1995-01-01

    This paper presents the basic concepts of Moessbauer effect. The provision of extremely high energy resolution, 1 part in 10/sp 12/, is the remarkable feature of this effects. This feature can be used to solve various problems where small changes in energy are involved. This effect has been applied in various disciplines of science like astrophysics, archaeology, biology, corrosion, amorphous alloys, chemistry, metallurgy, solid state physics, magnetism, superconductivity etc. A brief description of Moessbauer effect along with some typical examples are presented to demonstrate the importance and power of this effect in solving problems in these areas. (author)

  14. Italian money tested for forgery by moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Ortalli, I.; Pedrazzi, G.; Jiang Keyu; Zhang Xiufang

    1993-01-01

    Italian money has been investigated by Moessbauer spectroscopy. The results indicated that the spectrum of a 10000 lire bank-note consisted of three magnetic sextets and two quadrupole doublets, the spectrum of a 5000 lire note consisted of two Zeeman sextets, but in the 'false' money there are two quadrupole doublets only

  15. Soft X-ray spectroscopic investigations in experiments on Z-pinch stabilization

    International Nuclear Information System (INIS)

    Pikuz, S.A.; Skobelev, I.Yu.

    1996-01-01

    X-ray spectroscopic methods were used to investigate the spatial distribution of Z-pinch plasma parameters. Experiments were carried out on the GAEL pulse line generator in Ecole Polytechnique (France) with different types of load. Obtained results for the concentration of electrons and plasma temperature showed that higher plasma homogeneity was obtained in experiments with complex load. Spectrograms demonstrate the stabilization effect of the A1-jet. (orig.)

  16. Soft X-ray spectroscopic investigations in experiments on Z-pinch stabilization

    Energy Technology Data Exchange (ETDEWEB)

    Pikuz, S.A. [Rossijskaya Akademiya Nauk, Moscow (Russian Federation). Fizicheskij Inst.; Shelkovenko, T.A. [Rossijskaya Akademiya Nauk, Moscow (Russian Federation). Fizicheskij Inst.; Romanova, V.M. [Rossijskaya Akademiya Nauk, Moscow (Russian Federation). Fizicheskij Inst.; Etlicher, B. [Ecole Polytechnique, Palaseau (France). Lab. de Phys. des Mililux Ionises; Attelan, S. [Ecole Polytechnique, Palaseau (France). Lab. de Phys. des Mililux Ionises; Chuvatin, A.S. [Ecole Polytechnique, Palaseau (France). Lab. de Phys. des Mililux Ionises; Faenov, A.Ya. [MISDC VNIIFTRI, Moscow (Russian Federation); Skobelev, I.Yu. [MISDC VNIIFTRI, Moscow (Russian Federation)

    1996-04-01

    X-ray spectroscopic methods were used to investigate the spatial distribution of Z-pinch plasma parameters. Experiments were carried out on the GAEL pulse line generator in Ecole Polytechnique (France) with different types of load. Obtained results for the concentration of electrons and plasma temperature showed that higher plasma homogeneity was obtained in experiments with complex load. Spectrograms demonstrate the stabilization effect of the A1-jet. (orig.).

  17. Specific binding of a dihydropyrimidinone derivative with DNA: Spectroscopic, calorimetric and modeling investigations

    International Nuclear Information System (INIS)

    Wang Gongke; Yan Changling; Wang Dongchao; Li Dan; Lu Yan

    2012-01-01

    One of the dihydropyrimidinone derivative 5-(ethoxycarbonyl)-6-methyl-4-(4-methoxyphenyl) -3,4-dihydropyrimidin-2(1H)-one (EMMD) was synthesized, and its binding properties with calf-thymus DNA (ctDNA) were investigated using spectroscopic, viscometric, isothermal titration calorimetric (ITC) and molecular modeling techniques. Fluorescence spectra suggested that the fluorescence enhancement of the binding interaction of EMMD to ctDNA was a static process with ground state complex formation. The binding constant determined with spectroscopic titration and ITC was found to be in the same order of 10 4 M −1 . According to the results of the viscosity analysis, fluorescence competitive binding experiment, fluorescence quenching studies, absorption spectral and ITC investigations, it can be concluded that EMMD is intercalative binding to ctDNA. Furthermore, the results of molecular modeling confirmed those obtained from spectroscopic, viscosimetric and ITC investigations. Additionally, ITC studies also indicated that the binding interaction is predominantly enthalpy driven. - Highlights: ► Medically important dihydropyrimidinones derivative EMMD is synthesized. ► EMMD is intercalative binding into ctDNA helix. ► Hydrogen bonding may play an essential role in the binding of EMCD with ctDNA. ► This binding interaction is predominantly enthalpy driven.

  18. Moessbauer effect studies with actinides

    International Nuclear Information System (INIS)

    Stone, J.A.

    1966-01-01

    Moessbauer resonance studies in the actinide elements offer a new technique for measuring solid-state properties to a region of the periodic chart where such information is relatively sparse. It is well known that the actinides, the elements with atomic numbers from 90 to 103, form a transition series due to filling of the 5f electron shell, analogous to the rare-earth series in which the 4f shell is filled. Like the rare earths, the actinide metals and compounds are expected to exhibit a variety of interesting magnetic properties, but, unlike the rare earths, there have been few studies of the magnetic behaviour of actinides, and these properties are largely unknown. The chemical properties of the actinides have been studied somewhat more extensively, and, in contrast to the rare earths, form a multiplicity of stable valence states, especially in the lighter members of the series. It is just these properties, magnetic and chemical, for which the Moessbauer effect is a valuable probe, sensitive to the magnetic and electric environment of an atom. The rare-earth series has been a particularly fruitful region in terms of the number of elements which have been shown to exhibit the Moessbauer effect, and for this reason the exploitation of the Moessbauer effect to yield new solid-state and chemical information on the rare earths is a highly active field of research today. There is every reason to believe that the actinides can be similarly studied by the Moessbauer effect. 43 refs, 6 figs, 4 tabs

  19. Moessbauer spectroscopic determination of magnetic moments of Fe3+ and Co2+ in substituted barium hexaferrite, Ba(Co,Ti)xFe(12-2x)O19

    International Nuclear Information System (INIS)

    Williams, J.M.; Adetunji, J.; Gregori, M.

    2000-01-01

    We report the distribution of magnetic moments of Fe 3+ and Co 2+ in Co 2+ -, Ti 4+ -substituted M-type barium hexaferrite, Ba(Co,Ti) x Fe (12-2x) O 19 , as a function of doping rate, x. The substitution, x, for iron has been varied with x=0, 0.25, 0.50, 0.70 and 0.85. The magnetic moments of Fe 3+ and Co 2+ were calculated from the combined results of Moessbauer measurements for Fe 3+ ions in the sublattices and neutron diffraction data for the total moments of Fe 3+ and Co 2+ . A comparison of the signs of the magnetic moments of Fe 3+ and Co 2+ ions enabled us to attribute spin directions of the Co 2+ ions in the sublattices of the substituted ferrite samples. The spin directions of Co 2+ are opposite to those of Fe 3+ in the 4f 2 and 2b sublattices. They are reversed from the original directions in the 4f 1 and 12K sublattices when the value of x≥0.70. A quantitative analysis shows that Co 2+ and Ti 4+ ions are preferably substituted into 4f 2 and 12K sublattices, respectively. In addition, while the hyperfine field of Fe 3+ in the 2b sublattice gives rise to the 2b-4f 2 interaction it is the partially substituted Co 2+ ions in the 4f 1 and 12K sublattices that contribute to the near neighbour 2a-4f 1 and 2b-12K types of interaction

  20. Application of Moessbauer effect in the study of silicon steels

    International Nuclear Information System (INIS)

    Lonsky, B.; Wiglasz, V.; Prejsa, M.

    1975-11-01

    The results for 1975 are presented of the research task: Application of the Moessbauer effect in the study of silicon steels. Moessbauer spectra were measured on Czechoslovak made materials of Eo 10 quality and of foreign made material of M2H quality in dependence on tensile stress. Moessbauer spectra were measured on identical samples with electrotechnical insulation and after the removal thereof, with the aim of ascertaining the effect of this insulation. All measurements were evaluated on the basis of changes in the intensity ratios of the first and second lines of the spectrum which characterize the domain structure. These measurements have confirmed that electrotechnical insulation forms in the basic material small tensile stresses which improve the magnetic properties of the material. Moessbauer spectra were measured using the absorption method on identical materials in thin foils with the aim of investigating the configuration of Si atoms in the Fe3%Si alloy. It was found that both materials contain Si atoms in both the first and the second coordination spheres. (author)

  1. Metallurgical applications of the Moessbauer effect

    International Nuclear Information System (INIS)

    Flinn, P.A.

    1975-01-01

    Recent developments and practical applications of the Moessbauer effect are reviewed. Moessbauer studies into solid solutions, phase transformations in certain alloy systems and steels, deformation-induced transformations in and corrosion of steels are discussed. Also discussed are the applications of Moessbauer spectroscopy in process metallurgy for diffusion measurements in solids and in an accurate quantitative analysis. The use of backscatter geometry is dealt with. (Z.S.)

  2. Positron lifetime and Moessbauer study of Fe80-xNixB20 metallic glasses

    International Nuclear Information System (INIS)

    Baluch, S.; Miglierini, M.; Groene, R.; Sitek, J.

    1989-01-01

    In order to investigate the short-range order (SRO) of iron-rich Fe 80-x Ni x B 20 (x = 10, 20, 30, 40) metallic glasses positron lifetime and Moessbauer measurements were carried out. Positron lifetimes of samples and Moessbauer hyperfine structure data of neutron-irradiated samples as functions of nickel content are shown and discussed. Results give evidence that high Ni content stabilizes the structure and can be connected with a higher degree of SRO in metallic glasses

  3. Moessbauer diffraction study of the Neel phase transition in Fe3BO6 crystal

    International Nuclear Information System (INIS)

    Kovalenko, P.P.; Labushkin, V.G.; Sarkisov, Eh.R.; Tolpekin, I.G.

    1987-01-01

    Phase transitions in a 57 Fe 3 BO 6 monocrystal in the vicinity of the Neel point, T N =507.5 K were investigated by means of the Moessbauergraphy. For the first time the relaxation type of Moessbauer spectra was observed near the phase transition point. First in the Moessbauer diffraction spectrum of the crystal the simultaneous presence of a component resulted from magnetic ordering and a paramagnetic component was observed

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-05-23

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

  5. 8th Czechoslovak spectroscopic conference. Abstracts

    International Nuclear Information System (INIS)

    1988-01-01

    Volume 3 of the conference proceedings contains abstracts of 17 invited papers, 101 poster presentations and 7 papers of instrument manufacturers, devoted to special spectroscopic techniques including X-ray microanalysis, X-ray spectral analysis, Moessbauer spectrometry, mass spectrometry, instrumental activation analysis and other instrumental radioanalytical methods, electron spectrometry, and techniques of environmental analysis. Sixty abstracts were inputted in INIS. (A.K.)

  6. Chromate adsorption on selected soil minerals: Surface complexation modeling coupled with spectroscopic investigation

    Energy Technology Data Exchange (ETDEWEB)

    Veselská, Veronika, E-mail: veselskav@fzp.czu.cz [Department of Environmental Geosciences, Faculty of Environmental Sciences, Czech University of Life Sciences Prague, Kamýcka 129, CZ-16521, Prague (Czech Republic); Fajgar, Radek [Department of Analytical and Material Chemistry, Institute of Chemical Process Fundamentals of the CAS, v.v.i., Rozvojová 135/1, CZ-16502, Prague (Czech Republic); Číhalová, Sylva [Department of Environmental Geosciences, Faculty of Environmental Sciences, Czech University of Life Sciences Prague, Kamýcka 129, CZ-16521, Prague (Czech Republic); Bolanz, Ralph M. [Institute of Geosciences, Friedrich-Schiller-University Jena, Carl-Zeiss-Promenade 10, DE-07745, Jena (Germany); Göttlicher, Jörg; Steininger, Ralph [ANKA Synchrotron Radiation Facility, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, DE-76344, Eggenstein-Leopoldshafen (Germany); Siddique, Jamal A.; Komárek, Michael [Department of Environmental Geosciences, Faculty of Environmental Sciences, Czech University of Life Sciences Prague, Kamýcka 129, CZ-16521, Prague (Czech Republic)

    2016-11-15

    Highlights: • Study of Cr(VI) adsorption on soil minerals over a large range of conditions. • Combined surface complexation modeling and spectroscopic techniques. • Diffuse-layer and triple-layer models used to obtain fits to experimental data. • Speciation of Cr(VI) and Cr(III) was assessed. - Abstract: This study investigates the mechanisms of Cr(VI) adsorption on natural clay (illite and kaolinite) and synthetic (birnessite and ferrihydrite) minerals, including its speciation changes, and combining quantitative thermodynamically based mechanistic surface complexation models (SCMs) with spectroscopic measurements. Series of adsorption experiments have been performed at different pH values (3–10), ionic strengths (0.001–0.1 M KNO{sub 3}), sorbate concentrations (10{sup −4}, 10{sup −5}, and 10{sup −6} M Cr(VI)), and sorbate/sorbent ratios (50–500). Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy were used to determine the surface complexes, including surface reactions. Adsorption of Cr(VI) is strongly ionic strength dependent. For ferrihydrite at pH <7, a simple diffuse-layer model provides a reasonable prediction of adsorption. For birnessite, bidentate inner-sphere complexes of chromate and dichromate resulted in a better diffuse-layer model fit. For kaolinite, outer-sphere complexation prevails mainly at lower Cr(VI) loadings. Dissolution of solid phases needs to be considered for better SCMs fits. The coupled SCM and spectroscopic approach is thus useful for investigating individual minerals responsible for Cr(VI) retention in soils, and improving the handling and remediation processes.

  7. Autonomous System Design for Moessbauer Spectra Acquisition

    International Nuclear Information System (INIS)

    Morales, A. L.; Zuluaga, J.; Cely, A.; Tobon, J.

    2001-01-01

    An autonomous system for Moessbauer spectroscopy based in a microcontroller has been designed. A timer of the microcontroller was used to generate the control signal for the Moessbauer linear motor, and a counter for the spectra acquisition. Additionally, the system has its own memory for data storage and a serial port to transmit the data to a computer for its later processing and display

  8. Moessbauer spectroscopy in studies of photosynthesis

    International Nuclear Information System (INIS)

    Burda, Kvetoslava

    2008-01-01

    Photosynthesis is a process occurring in certain species of bacteria, algae and higher plants. It transforms solar energy into various forms of energy-rich organic molecules. Photosystem II (PSII) is the 'heart' of the photosynthetic apparatus because it delivers electrons and protons for further steps of the light-driven phases of photosynthesis. There are two enigmatic iron binding structures within the core of photosynthetic apparatus, which play an important role in the electron transfer within PSII. Many investigations focus on the determination of their function which is the key to the understanding of the molecular mechanism of the energy and electron transfer within PSII. Among many methods used in this research field, the Moessbauer spectroscopy is a unique one, which gives the possibility to study changes of the valence and spin states of those two iron sites and the dynamical properties of their protein matrix in the presence of various physiological and stress conditions.

  9. Synthesis, structure, spectroscopic investigations, and computational studies of optically pure β-ketoamide

    International Nuclear Information System (INIS)

    Mtat, D.; Touati, R.; Guerfel, T.; Walha, K.; Ben Hassine, B.

    2016-01-01

    Chemical preparation, X-ray single crystal diffraction, IR and NMR spectroscopic investigations of a novel nonlinear optical organic compound (C 17 H 22 NO 2 Cl) are described. The compound crystallizes in the orthorhombic system with the non-centrosymmetric sp. gr. P2 1 2 1 2 1 . In the crystal structure, molecules are interconnected by N–H…O hydrogen bonds forming infinite chains along a axis. The Hirshfeld surface and associated fingerprint plots of the compound are presented to explore the nature of intermolecular interactions and their relative contributions in building the solid-state architecture. The molecular HOMO–LUMO compositions and their respective energy gaps are also drawn to explain the activity of the compound. The first hyperpolarizability β tot of the title compound is determined using DFT calculations. The optical properties are also investigated by UV–Vis absorption spectrum.

  10. An adiabatic spectroscopic investigation of the CsRb system in ground and numerous excited states

    Science.gov (United States)

    Souissi, Hanen; Jellali, Soulef; Maha, Chaieb; Habli, Héla; Oujia, Brahim; Gadéa, Florent Xavier

    2017-10-01

    Via ab-initio approximations, we investigate the electronic and structural features of the CsRb molecule. Adiabatic potential energy curves of 261,3Σ+, 181,3Π and 61,3Δ electronic states with their derived spectroscopic constants as well as vibrational levels spacing have been carried out and well explained. Our approach is founded on an Effective Core Potential (ECP) describing the valence electrons of the system. Using a large Gaussian basis set, the full valence Configuration Interaction can be applied easily on the two-effective valence electrons of the CsRb system. Furthermore, a detailed analysis of the electric dipolar properties has been made through the investigation of both permanent and transition dipole moments (PDM and TDM). It is significant that the ionic character connected with electron transfer that is linked to Cs+ Rb- state has been clearly illustrated in the adiabatic permanent dipole moment.

  11. Synthesis, structure, spectroscopic investigations, and computational studies of optically pure β-ketoamide

    Energy Technology Data Exchange (ETDEWEB)

    Mtat, D.; Touati, R. [Université de Monastir, Laboratoire de Synthèse Organique Asymétrique et Catalyse Homogène (UR11ES56), Faculté des Sciences (Tunisia); Guerfel, T., E-mail: taha-guerfel@yahoo.fr [Université de Kairouan, Laboratoire d’Electrochimie, Matériaux et Environnement (Tunisia); Walha, K. [Université de Sfax, M.E.S.Lab. Faculté des Sciences de Sfax (Tunisia); Ben Hassine, B. [Université de Monastir, Laboratoire de Synthèse Organique Asymétrique et Catalyse Homogène (UR11ES56), Faculté des Sciences (Tunisia)

    2016-12-15

    Chemical preparation, X-ray single crystal diffraction, IR and NMR spectroscopic investigations of a novel nonlinear optical organic compound (C{sub 17}H{sub 22}NO{sub 2}Cl) are described. The compound crystallizes in the orthorhombic system with the non-centrosymmetric sp. gr. P2{sub 1}2{sub 1}2{sub 1}. In the crystal structure, molecules are interconnected by N–H…O hydrogen bonds forming infinite chains along a axis. The Hirshfeld surface and associated fingerprint plots of the compound are presented to explore the nature of intermolecular interactions and their relative contributions in building the solid-state architecture. The molecular HOMO–LUMO compositions and their respective energy gaps are also drawn to explain the activity of the compound. The first hyperpolarizability β{sub tot} of the title compound is determined using DFT calculations. The optical properties are also investigated by UV–Vis absorption spectrum.

  12. Spectroscopic investigation of the vibrational quasi-continuum arising from internal rotation of a methyl group

    Energy Technology Data Exchange (ETDEWEB)

    Hougen, J.T. [NIST, Gaithersburg, MD (United States)

    1993-12-01

    The goal of this project is to use spectroscopic techniques to investigate in detail phenomena involving the vibrational quasi-continuum in a simple physical system. Acetaldehyde was chosen for the study because: (i) methyl groups have been suggested to be important promotors of intramolecular vibrational relaxation, (ii) the internal rotation of a methyl group is an easily describle large-amplitude motion, which should retain its simple character even at high levels of excitation, and (iii) the aldehyde carbonyl group offers the possibility of both vibrational and electronic probing. The present investigation of the ground electronic state has three parts: (1) understanding the {open_quotes}isolated{close_quotes} internal-rotation motion below, at, and above the top of the torsional barrier, (2) understanding in detail traditional (bond stretching and bending) vibrational fundamental and overtone states, and (3) understanding interactions involving states with multiquantum excitations of at least one of these two kinds of motion.

  13. Intermolecular interaction of fosinopril with bovine serum albumin (BSA): The multi-spectroscopic and computational investigation.

    Science.gov (United States)

    Zhou, Kai-Li; Pan, Dong-Qi; Lou, Yan-Yue; Shi, Jie-Hua

    2018-04-16

    The intermolecular interaction of fosinopril, an angiotensin converting enzyme inhibitor with bovine serum albumin (BSA), has been investigated in physiological buffer (pH 7.4) by multi-spectroscopic methods and molecular docking technique. The results obtained from fluorescence and UV absorption spectroscopy revealed that the fluorescence quenching mechanism of BSA induced by fosinopril was mediated by the combined dynamic and static quenching, and the static quenching was dominant in this system. The binding constant, K b , value was found to lie between 2.69 × 10 3 and 9.55 × 10 3  M -1 at experimental temperatures (293, 298, 303, and 308 K), implying the low or intermediate binding affinity between fosinopril and BSA. Competitive binding experiments with site markers (phenylbutazone and diazepam) suggested that fosinopril preferentially bound to the site I in sub-domain IIA on BSA, as evidenced by molecular docking analysis. The negative sign for enthalpy change (ΔH 0 ) and entropy change (ΔS 0 ) indicated that van der Waals force and hydrogen bonds played important roles in the fosinopril-BSA interaction, and 8-anilino-1-naphthalenesulfonate binding assay experiments offered evidence of the involvements of hydrophobic interactions. Moreover, spectroscopic results (synchronous fluorescence, 3-dimensional fluorescence, and Fourier transform infrared spectroscopy) indicated a slight conformational change in BSA upon fosinopril interaction. Copyright © 2018 John Wiley & Sons, Ltd.

  14. Spectroscopic Parameter and Molecular Constant Investigations on Low-Lying States of BeF Radical

    Directory of Open Access Journals (Sweden)

    Jin Feng Sun

    2012-02-01

    Full Text Available The potential energy curves (PECs of X2Σ+, A2Πr and B2Σ+ states of BeF radical have been investigated using the complete active space self-consistent-field (CASSCF method, followed by the highly accurate valence internally contracted multireference configuration interaction (MRCI approach at the correlation-consistent basis sets, cc-pV5Z for Be and aug-cc-pV6Z for F. Based on the PECs of X2Σ+, A2Πr and B2Σ+ states, the spectroscopic parameters (De, Re, ωe, ωeχe, αe and Be have also been determined in the present work. With the PECs determined at the present level of theory, vibrational states have been predicted for each state when the rotational quantum number J equals zero (J = 0. The vibrational levels, inertial rotation and centrifugal distortion constants are determined for the three states, and the classical turning points are also calculated for the X2Σ+ state. Compared with the available experiments and other theories, it can be seen that the present spectroscopic parameter and molecular constant results are more fully in agreement with the experimental findings.

  15. Spectroscopic investigation on the interaction of titanate nanotubes with bovine serum albumin

    International Nuclear Information System (INIS)

    Zhao, L.Z.; Zhao, Y.S.; Teng, H.H.; Shi, S.Y.; Ren, B.X.

    2014-01-01

    In order to understand the transport mechanism and evaluate the biological safety of titanate nanotubes, the interactions of titanate nanotubes (TNTs) with bovine serum albumin (BSA) were investigated by applying spectroscopic methods under simulated physiological conditions. After taking into account the inner filter effect, the fluorescence intensity of BSA was found to be significantly enhanced by the presence of TNTs, indicating that the microenvironment of tryptophan and tyrosine residues in BSA became more hydrophobic. In addition, the absorption spectra of BSA showed a hyperchromic effect around 280 nm as the concentration of TNTs increased, suggesting that TNTs changed the microenvironment of the tryptophan and tyrosine residues. This is consistent with the results from fluorescence spectroscopy studies. However, circular dichroism spectroscopy revealed that no significant conformational change in BSA occurred during the interaction. We believe that Trp-213 was buried more compactly in the internal hydrophobic region, and hydrophobicity increased around Trp-134 with increasing TNTs concentration. From a spectroscopic point of view, this work elucidates the interaction mechanism of titanate nanotubes with BSA, and the methods used in this paper can also be applied to explore the molecular mechanism underlying toxicity of other nanomaterials. (authors)

  16. Spectroscopic investigations of lanthanides and actinides using simultaneous LIF and photoionization techniques

    International Nuclear Information System (INIS)

    Shah, M.L.

    2017-01-01

    Laser-induced fluorescence (LIF) and laser-induced photoionization (LIP) are powerful spectroscopic techniques individually. These techniques have been used extensively for studying the atomic spectra. The potential of these two techniques increases enormously when used simultaneously because of their complimentary nature. Among these two, the resonance ionization spectroscopy is most sensitive, but in some cases the spectra obtained using this photoionization technique can provide the incomplete atomic energy levels information. The complete energy level information can be obtained when both the LIF and LIP techniques are used simultaneously. These techniques have been developed in our laboratory. By employing together both the LIF and LIP techniques for simultaneous detection and utilization of LIF and LIP signals not only helped in developing new methodologies but also helped in getting complete spectral information apart from the measurements of atomic parameters. For the first time, laser-induced fluorescence and laser-induced photoionization techniques are used simultaneously for the spectroscopic investigations of atoms of lanthanides and actinides. The density matrix (DM) formalism is used to validate the experimental results. (author)

  17. Corrosion of steam generator pipelines analysed using Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Slugen, V.; Lipka, J.; Toth, I.; Hascik, J.; Hinca, R.; Lehota, M.

    2003-01-01

    The variability of the properties and the composition of the corrosion products of the stainless CrNi and mild steels in dependence on the conditions (temperature, acidity, etc.) is of such range that, in practice, it is impossible to determine the properties of the corrosion products for an actual case from the theoretical data only. Since the decontamination processes for the materials of the water-cooled reactor (VVER-440) secondary circuits are in the progress of development, it is necessary to draw the needed information by the measurement and analysis of the real specimens. The corrosion layers was separated by scraping the rust off the surface and the powder samples were studied by transmission Moessbauer spectroscopy. It should be noted that the gamma spectroscopic measurements give no evidence of the presence of low-energy gamma radiation emitted from the samples. The scraped specimen powder was homogenised (using a 50 μm sieve) and fixed into a special holder. The 57 Co in Rh matrix was used as the radioactive Moessbauer source. Measured spectra were fitted using program NORMOS SITE. According to the results obtained from Moessbauer spectra, it is possible to establish that the main component of secondary circuit's corrosion products is magnetite Fe 3 O 4 . Next components are hematite α-Fe 2 O 3 and hydroxide akagenite β-FeOOH, which is characterised by significant paramagnetic doublet in the middle of spectra. The sextets corresponding to base materials (martensite and austenite steels) were identified in all measured spectra. (author)

  18. Moessbauer study of spin alignment in substituted lithium ferrites

    International Nuclear Information System (INIS)

    Abeledo, C.R.; Frankel, R.B.

    1977-01-01

    To explain the decrease of magnetic moment in zinc substituted lithium ferrites Dionne has proposed a model which includes canting of the B sublattice moments as zinc is substituted in the A sublattice. Moessbauer spectroscopy in external magnetic fields is applied to investigate the existence of canting in (Lisub(0.5)Fesub(0.5))sub(1-x)Znsub(x)Fesub(2)Osub(4) with x=0 and x=0.3. The samples used were either polycrystalline powders or circular disks cut from pressed blocks and lapped down to a thickness of 0.1mm. In the x=0 samples the Δm=0 Moessbauer lines vanish for external fields below 10kOe. For x=0.3 the Δm=0 lines vanish at external magnetic fields close to 15kOe. results seem to indicate a small canting angle in the x=0.3 samples

  19. Interactions between {beta}-carboline alkaloids and bovine serum albumin: Investigation by spectroscopic approach

    Energy Technology Data Exchange (ETDEWEB)

    Nafisi, Shohreh, E-mail: drshnafisi@gmail.com [Department of Chemistry, Islamic Azad University, Central Tehran Branch (IAUCTB), Tehran (Iran, Islamic Republic of); Panahyab, Ataollah [Department of Chemistry, Islamic Azad University, Central Tehran Branch (IAUCTB), Tehran (Iran, Islamic Republic of); Bagheri Sadeghi, Golshan [Department of Biology, Islamic Azad University, Science and Research Branch, Tehran (Iran, Islamic Republic of)

    2012-09-15

    {beta}-Carboline alkaloids are present in medicinal plants such as Peganum harmala L. that have been used as folk medicine in anticancer therapy. BSA is the major soluble protein constituent of the circulatory system, and has many physiological functions including the transport of a variety of compounds. This study is the first attempt to investigate the binding of {beta}-carboline alkaloids to BSA by using a constant protein concentration and varying drug concentrations at pH 7.2. FTIR and UV-Vis spectroscopic methods were used to analyze the binding modes of {beta}-carboline alkaloids, the binding constants and the effects of drug complexation on BSA stability and conformation. Spectroscopic evidence showed that {beta}-carboline alkaloids bind BSA via hydrophobic interaction and van der Waals contacts along with H-bonding with the -NH groups, with overall binding constants of K{sub harmine-BSA}=2.04 Multiplication-Sign 10{sup 4} M{sup -1}, K{sub tryptoline-BSA}=1.2 Multiplication-Sign 10{sup 4} M{sup -1}, K{sub harmaline-BSA}=5.04 Multiplication-Sign 10{sup 3} M{sup -1}, K{sub harmane-BSA}=1.41 Multiplication-Sign 10{sup 3} M{sup -1} and K{sub harmalol-BSA}=1.01 Multiplication-Sign 10{sup 3} M{sup -1}, assuming that there is one drug molecule per protein. The BSA secondary structure was altered with a major decrease of {alpha}-helix from 64% (free protein) to 59% (BSA-harmane), 56% (BSA-harmaline and BSA-harmine), 55% (BSA-tryptoline), 54% (BSA-harmalol) and {beta}-sheet from 15% (free protein) to 6-8% upon {beta}-carboline alkaloids complexation, inducing a partial protein destabilization. - Highlights: Black-Right-Pointing-Pointer We model the binding of {beta}-carboline alkaloids to BSA by using the spectroscopic methods. Black-Right-Pointing-Pointer We investigate the effects of drug complexation on BSA stability and conformation. Black-Right-Pointing-Pointer A partial protein destabilization occurred at high alkaloids concentration. Black

  20. Interactions between β-carboline alkaloids and bovine serum albumin: Investigation by spectroscopic approach

    International Nuclear Information System (INIS)

    Nafisi, Shohreh; Panahyab, Ataollah; Bagheri Sadeghi, Golshan

    2012-01-01

    β-Carboline alkaloids are present in medicinal plants such as Peganum harmala L. that have been used as folk medicine in anticancer therapy. BSA is the major soluble protein constituent of the circulatory system, and has many physiological functions including the transport of a variety of compounds. This study is the first attempt to investigate the binding of β-carboline alkaloids to BSA by using a constant protein concentration and varying drug concentrations at pH 7.2. FTIR and UV–Vis spectroscopic methods were used to analyze the binding modes of β-carboline alkaloids, the binding constants and the effects of drug complexation on BSA stability and conformation. Spectroscopic evidence showed that β-carboline alkaloids bind BSA via hydrophobic interaction and van der Waals contacts along with H-bonding with the –NH groups, with overall binding constants of K harmine–BSA =2.04×10 4 M −1 , K tryptoline–BSA =1.2×10 4 M −1 , K harmaline–BSA =5.04×10 3 M −1 , K harmane–BSA =1.41×10 3 M −1 and K harmalol–BSA =1.01×10 3 M −1 , assuming that there is one drug molecule per protein. The BSA secondary structure was altered with a major decrease of α-helix from 64% (free protein) to 59% (BSA–harmane), 56% (BSA–harmaline and BSA–harmine), 55% (BSA–tryptoline), 54% (BSA–harmalol) and β-sheet from 15% (free protein) to 6–8% upon β-carboline alkaloids complexation, inducing a partial protein destabilization. - Highlights: ► We model the binding of β-carboline alkaloids to BSA by using the spectroscopic methods. ► We investigate the effects of drug complexation on BSA stability and conformation. ► A partial protein destabilization occurred at high alkaloids concentration. ► Alkaloids bind BSA via hydrophobic interactions and H-bonding with the ---NH groups. ► BSA can be considered as a good carrier for transportation of β-carboline alkaloids.

  1. The interaction between 4-aminoantipyrine and bovine serum albumin: Multiple spectroscopic and molecular docking investigations

    International Nuclear Information System (INIS)

    Teng Yue; Liu Rutao; Li Chao; Xia Qing; Zhang Pengjun

    2011-01-01

    4-Aminoantipyrine (AAP) is widely used in the pharmaceutical industry, in biochemical experiments and in environmental monitoring. AAP as an aromatic pollutant in the environment poses a great threat to human health. To evaluate the toxicity of AAP at the protein level, the effects of AAP on bovine serum albumin (BSA) were investigated by multiple spectroscopic techniques and molecular modeling. After the inner filter effect was eliminated, the experimental results showed that AAP effectively quenched the intrinsic fluorescence of BSA via static quenching. The number of binding sites, the binding constant, the thermodynamic parameters and binding subdomain were measured, and indicated that AAP could spontaneously bind with BSA on subdomain IIIA through electrostatic forces. Molecular docking results revealed that AAP interacted with the Glu 488 and Glu 502 residues of BSA. Furthermore, the conformation of BSA was demonstrably changed in the presence of AAP. The skeletal structure of BSA loosened, exposing internal hydrophobic aromatic ring amino acids and peptide strands to the solution.

  2. DC diode sputtering of titanium: determination of optimal deposition conditions by electrical and spectroscopic investigations

    International Nuclear Information System (INIS)

    Poitevin, J.M.; Lemperiere, G.; Fourrier, C.

    1976-01-01

    An argon DC glow discharge in a diode sputtering system fitted with a titanium cathode is investigated. The first results fix the boundaries of good working conditions for the discharge; mathematical relations are established for the pressure range 40 to 120 mTorr, anode-cathode lengths from 15 to 60 mm and current densities from 0.6 to 2 mA cm -2 . The deposition rate is found to be proportional to the electrical power if the product pd is kept constant, but the ratio of the deposition rate to discharge power exhibits a maximum for d approximately equal 1.5 lsub(e). Spectroscopic studies of the discharge close to the substrate surface show that the intensity of some arc and spark lines of titanium is also proportional to the deposition rate. Emission spectroscopy shows that hydrogen is produced and quickly pumped during the presputtering stage; its evacuation is necessary to obtain good metallic films. (author)

  3. Moessbauer lineshape analysis by the DISPA method

    International Nuclear Information System (INIS)

    Miglierini, M.; Sitek, J.

    1986-01-01

    To evaluate the Moessbauer spectral parameters and hence, the structural and magnetic properties the lineshape should be known. A plot of dispersion versus absorption (DISPA plot) for a pure Lorentzian gives a perfect circle. Directions and magnitudes of DISPA distortions from this reference circle point out the kind of line-broadening mechanism observed. A possibility of the application of the DISPA technique in the Moessbauer lineshape analysis is dealt with in this paper. The method is verified on Moessbauer spectra of sodium nitroprusside, natural iron, and stainless steel. The lineshape of an amorphous metallic alloy Fe 40 Ni 40 B 20 is studied by means of the DISPA plots. (author)

  4. Various applications of the Moessbauer effect

    International Nuclear Information System (INIS)

    Legrand, Janine

    1961-06-01

    After having briefly recalled the experiments of resonant absorption of γ photons performed by Moessbauer in 1958 and the interpretation of the results, the author briefly recalls some generalities about the Moessbauer Effect: recoil and thermal agitation, possibility of recoil-free emission, example on tin. The second part addresses the phenomenon of resonant scattering: definition and calculation of atomic scattering, definition of resonant scattering, and experimental measurement of the proportion of Moessbauer photons. The last part reports the study of various bronze samples (the interest of these materials is outlined) [fr

  5. Moessbauer study of the amorphous Pd70Fe10Si20 alloy upon transition to the crystalline state

    International Nuclear Information System (INIS)

    Sitek, J.; Prejsa, M.; Cirak, J.; Hucl, M.; Lipka, J.

    1978-01-01

    Foils of the amorphous alloy Pd 70 Fe 10 Si 20 were investigated after isothermal heating at the temperature range 350-450 0 C with a heating period from 15 min to 4 h. At 350 0 C no changes were observed in the shape of the Moessbauer spectra. At 400 0 C and at 450 0 C up to 30 min only the parameters of Moessbauer spectra consisting of two quadrupole doublets corresponding to palladium and silicon vicinities of iron atoms were changed. After further heating at 450 0 C crystalline phases of Pd 3 Fe and Fe 3 Si appeared on the Moessbauer spectra. (Auth.)

  6. Overview of recent and current spectroscopic investigations with hydrogen isotopologues for KATRIN

    Energy Technology Data Exchange (ETDEWEB)

    Brunst, Tim; Mirz, Sebastian; Groessle, Robin; Krasch, Bennet [Karlsruhe Institute of Technology KIT (Germany). Institute for Technical Physics (ITEP), Tritium Laboratory Karlsruhe (TLK); Collaboration: KATRIN-Collaboration

    2016-07-01

    The Karlsruhe Tritium Neutrino Experiment (KATRIN) investigates the energy spectrum of the tritium β decay near its energetic endpoint in order to determine the electron anti-neutrino mass with a sensitivity of 200 meV/c{sup 2} (90 % C.L.). Therefore, molecular tritium gas is decaying in a windowless gaseous tritium source (WGTS). The physical properties of the gas in the WGTS, like composition, ortho/para ratio or rotational population, need to be stabilised on a 10{sup -3} level due to their direct impact on the initial state distribution of the investigated β decay. In order to obtain a complete model of the molecular processes in the sample various spectroscopic measurements of mixtures with non-radioactive isotopologues (H{sub 2},HD,D{sub 2}) have been using IR spectroscopy in the liquid at temperatures <25 K and Raman spectroscopy in the gaseous phase at room temperature. This poster presents an overview of recent and current investigations with TApIR: The investigation of dimer and cluster formation under KATRIN conditions, as well as the ongoing task to investigate mixtures beyond the thermal equilibrium with highly concentrated HD and the design of a tritium compatible system for temperatures between (15-293) K.

  7. Characterization of catalysts by Moessbauer spectroscopy: An application to the study of Fischer-Tropsch, hydrotreating and super Claus catalysts

    International Nuclear Information System (INIS)

    Kraan, A.M. van der; Boellaard, E.; Craje, M.W.J.

    1993-01-01

    Moessbauer spectroscopy is an excellent in-situ technique for the identification of phases present in catalysts. Applied to metallic iron catalysts used in the Fischer-Tropsch reaction it reveals a detailed picture of the carburization process and provides insight into the relation between the properties of the catalytic material and its activity. The influence of a support and the effect of alloying iron with an (in)active metal on the catalytic performance is discussed for Fe, Cu-Fe and Ni-Fe systems. In addition, Moessbauer spectroscopy is used for the identification of 'Co-sulfide' species present in sulfided Co and CoMo catalysts applied in one of the largest chemical processes in the world, the hydrotreatment of crude oil. A structural model is proposed. Finally, the contribution of Moessbauer spectroscopic studies to the development of a new catalyst for cleaning of Claus tail gas via selective oxidation of hydrogen sulfide to elemental sulfur is discussed. (orig.)

  8. Macroscopic and spectroscopic investigations on the immobilization of radionuclides by hardened cement paste

    International Nuclear Information System (INIS)

    Wieland, E.; Bonhoure, I.; Tits, J.; Scheidegger, A.M.; Bradbury, M.H.

    2002-01-01

    The uptake of safety-relevant radionuclides was studied using a combination of macroscopic (wet chemistry) and spectroscopic (X-ray absorption fine structure (XAFS) spectroscopy) techniques with the aim of gaining a mechanistic understanding of the uptake processes on hardened cement paste (HCP) and deducing robust sets of sorption values. HCP contains impurities of metal cations in the ppb to ppm concentration range. As a consequence, the inventories of stable isotopes are expected to be significant in a cementitious near-field and may even exceed the radionuclide inventories of the waste matrix for many safety-relevant radioelements. In view of the significant inventories of stable isotopes, it is suggested that isotopic exchange - replacement of stable isotopes by their radioactive counterparts in the cement matrix - is an important immobilisation process in HCP. However, it is not a priori known what proportion of each elemental inventory is available for isotopic exchange. Wet chemistry studies with Cs and Sr show that the total inventory of these elements is reversibly bound and that their partitioning between HCP and pore water can be modelled using the distribution values deduced from studies of the corresponding tracers ( 137 Cs and 85 Sr). This finding corroborates the relevance of isotopic exchange in cementitious systems. Wet chemistry investigations need to be complemented by spectroscopic techniques, e.g., XAFS, in order to gain a mechanistic understanding of the chemical processes by which waste ions become immobilised in cement-based matrices. XAFS can be used to obtain information at the atomic/molecular level, i.e., the type, number and distance of neighbouring atoms. XAFS studies on cementitious systems are still rather rare, and therefore information on the potential and limitations of this technique is sparse. Mechanistic aspects of the immobilisation processes are discussed for some safety-relevant radionuclides (e.g. Ni and Sr) using the

  9. Lattice dynamic studies from {sup 151}Eu-Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Katada, Motomi [Tokyo Metropolitan Univ., Hachioji (Japan). Faculty of Science

    1997-03-01

    New complexes {l_brace}(Eu(napy){sub 2}(H{sub 2}O){sub 3})(Fe(CN){sub 6})4H{sub 2}O{r_brace}{sub x}, bpy({l_brace}(Eu(bpy)(H{sub 2}O){sub 4})(Fe(CN){sub 6})1.5bpy4H{sub 2}O{r_brace}{sub x}) and ({l_brace}(Eu(phen){sub 2}(H{sub 2}O){sub 2})(Fe(CN){sub 6})2phen{r_brace}{sub x}) etc were synthesized using phenanthroline and bipyridine. Lattice dynamic behaviors of Eu and Fe atom in the complexes were investigated by Moessbauer spectroscopy. By {sup 151}Eu-Moessbauer spectrum and parameters of new complexes, bpy complex showed the largest quadrupole splitting value, indicating bad symmetry of Eu ligand in the environment. Molecular structure of napy, bpy and phen complex were shown. These complexes are consisted of Eu atom coordinated with ligand and water molecule, of which (Fe(CN){sub 6}){sup 3-} ion formed one dimentional polymer chain and naphthyridines formed stacking structure. New complexes were observed by {sup 57}Fe-Moessbauer spectroscopy, too. The quadrupole splitting values were very different each other, indicating change of symmetry of Fe atom in the environment and three valence low spin state of Fe in the complex. (S.Y.)

  10. Moessbauer spectroscopy: Methodology and some applications to magnetic materials

    International Nuclear Information System (INIS)

    Sundqvist, T.

    1986-01-01

    The development of a new computer program for analysis of Moessbauer spectra that allows the user to make a detailed simulation of a measured spectrum is described. The program includes several novel computational algorithms as well as extensive treatment of experimental side effects. Data collection instrumentation has been improved by the development of computer based data acquisition units. Replacing traditional multichannel analyzers, these computer controlled units provide increased flexibility, improved capacity and ease of data handling. The systems designed range from a simple Apple II interface, to a high performance self contained computer controlled unit. The computerized spectrometers feature two independent channels, allowing for acquisition of the spectrum of interest and of a simultaneous calibration spectra, as well as software controlled frequency of operation. Moessbauer spectroscopy is applied to amorphous Fe based alloys to study the correlations among hyperfine interactions, and to study the crystallization behaviour of these alloys. Special attention has been payed to the quadrupole interaction in the amorphous phases. Careful data analysis, making use of the above mentioned program, is used in an attempt to determine the complex magnetic structures found in various iron phosphides. The usefulness of the Ni-61 isotope for Moessbauer spectroscopy has been investigated. (author)

  11. Moessbauer Spectroscopy study of Quimsachata Volcano materials

    International Nuclear Information System (INIS)

    Dominguez, A.G.B.

    1988-01-01

    It has been studied volcanic lava from Quimsachata Volcano in Pem. Moessbauer Spectroscopy, X-ray diffraction, electronic and optical microscopy allowed the identification of different mineralogical phases. (A.C.AS.) [pt

  12. Deconvolution of Moessbauer spectra using Voigt functions

    International Nuclear Information System (INIS)

    Flores Ll, H.J.

    1990-08-01

    The form of the resonance line in Moessbauer spectroscopy is a form of Lorentzian line, but this form of line it enlarges due to several effects: finite thickness of the absorber, instrumental instability, diffusion of Co 57 in crystals and fluctuations in the environment of the emitting nucleus. To take into account this effects it has been used as form of line in Moessbauer spectroscopy the Voigt function that is the convolution of a Lorentzian and a Gaussian. (Author)

  13. A Moessbauer study of deep sea sediments

    International Nuclear Information System (INIS)

    Minai, Y.; Tominaga, T.; Furuta, T.; Kobayashi, K.

    1981-01-01

    In order to determine the chemical states of iron in deep sea sediments, Moessbauer spectra of the sediments collected from various areas of the Pacific have been measured. The Moessbauer spectra were composed of paramagnetic ferric, high-spin ferrous, and magnetic components. The correlation of their relative abundance to the sampling location and the kind of sediments may afford clues to infer the origin of each iron-bearing phase. (author)

  14. Moessbauer spectroscopy of iron in clay minerals

    International Nuclear Information System (INIS)

    Raclavsky, K.; Sitek, J.; Lipka, J.

    1975-01-01

    Selected pure clay minerals predominantly of Czechoslovak origin were studied, such as montmorillonite, nontronite, beidellite, glauconite, seladonite, illite, vermiculite, saponite, palygorskite, goethite. Moessbauer measurements were performed at room temperature with a 57 Co in Pd source. The spectra were fitted by the least square method. The parameters of the measured Moessbauer spectra are given. The values of isomer shifts, quadrupole splittings and line widths were obtained with an error of +- 0.03 mm/sec. (Z.S.)

  15. 57Fe Moessbauer studies on natural chromites

    International Nuclear Information System (INIS)

    Das, D.; Sudarshan, M.; Chintalapudi, S.N.; Chakravorty, K.L.

    1996-01-01

    Five chromite samples procured from two different belts of India have been studied by 57 Fe Moessbauer spectroscopy. It is shown that four symmetric doublets are sufficient to fit the chromite spectrum; the Moessbauer parameters and Fe 3+ /Fe 2+ ratio are computed. For fully oxidized chromite with only Fe 3+ , two doublets are needed and the parameters are computed. (author). 19 refs., 4 figs., 4 tabs

  16. Automation of the Analysis of Moessbauer Spectra

    International Nuclear Information System (INIS)

    Souza, Paulo A. de Jr.; Garg, R.; Garg, V. K.

    1998-01-01

    In the present report we propose the automation of least square fitting of Moessbauer spectra, the identification of the substance, its crystal structure and the access to the references with the help of a genetic algorith, Fuzzy logic, and the artificial neural network associated with a databank of Moessbauer parameters and references. This system could be useful for specialists and non-specialists, in industry as well as in research laboratories

  17. Synchrotron Moessbauer reflectometry

    Energy Technology Data Exchange (ETDEWEB)

    Nagy, D.L.; Bottyan, L.; Deak, L.; Szilagyi, E. [KFKI Research Institute for Particle and Nuclear Physics (Hungary); Spiering, H. [Johannes Gutenberg Universitaet Mainz, Institut fuer Anorganische und Analytische Chemie (Germany); Dekoster, J.; Langouche, G. [K.U. Leuven, Instituut voor Kern- en Stralingsfysica (Belgium)

    2000-07-15

    Grazing incidence nuclear resonant scattering of synchrotron radiation can be applied to perform depth-selective phase analysis and to determine the isotopic and magnetic structure of thin films and multilayers. Principles and recent experiments of this new kind of reflectometry are briefly reviewed. Methodological aspects are discussed. Model calculations demonstrate how the orientations of the sublattice magnetisation in ferro- and antiferromagnetic multilayers affect time-integral and time-differential spectra. Experimental examples show the efficiency of the method in investigating finite-stacking, in-plane and out-of-plane anisotropy and spin-flop effects in magnetic multilayers.

  18. In situ spectroscopic investigation of the cobalt-catalyzed oxidation of lignin model compounds in ionic liquids

    NARCIS (Netherlands)

    Zakzeski, J.|info:eu-repo/dai/nl/326160256; Bruijnincx, P.C.A.|info:eu-repo/dai/nl/33799529X; Weckhuysen, B.M.|info:eu-repo/dai/nl/285484397

    2011-01-01

    The cobalt-catalyzed oxidation of lignin and lignin model compounds using molecular oxygen in ionic liquids proceeds readily under mild conditions, but mechanistic insight and evidence for the species involved in the catalytic cycle is lacking. In this study, a spectroscopic investigation of the

  19. Spectroscopic and structural investigation of undoped and Er{sup 3+} doped hafnium silicate layers

    Energy Technology Data Exchange (ETDEWEB)

    Khomenkova, L., E-mail: khomen@ukr.net [CIMAP CEA/CNRS/ENSICAEN/UCBN, 6 Blvd. Maréchal Juin, 14050 Caen Cedex 4 (France); V. Lashkaryov Institute of Semiconductor Physics at NASU, 41 Pr. Nauky, Kyiv 03028 (Ukraine); An, Y.-T. [CIMAP CEA/CNRS/ENSICAEN/UCBN, 6 Blvd. Maréchal Juin, 14050 Caen Cedex 4 (France); Khomenkov, D. [Taras Shevchenko National University of Kyiv, Faculty of Physics, 4 Pr. Hlushkov, Kyiv 03022 (Ukraine); Portier, X.; Labbé, C.; Gourbilleau, F. [CIMAP CEA/CNRS/ENSICAEN/UCBN, 6 Blvd. Maréchal Juin, 14050 Caen Cedex 4 (France)

    2014-11-15

    This paper demonstrates the functionality of radio-frequency magnetron sputtering for the fabrication of undoped and Er-doped Si-rich-HfO{sub 2} films with specific structural and spectroscopic properties. The effect of post-deposition treatment on film properties was investigated by means of Fourier-transform infrared spectroscopy, Raman scattering and photoluminescence methods, as well as Transmission Electron microscopy. It was observed that annealing treatment at 850–1000 °C causes phase separation process and the formation of HfO{sub 2}, SiO{sub 2} and pure Si phases. This process stimulates also an intense light emission in the 700–950-nm spectral range under broad band excitation. The phase separation mechanism as well as the nature of radiative transitions were discussed. Photoluminescence was ascribed to carrier recombination in silicon clusters and host defects. The appearance of silicon clusters was also confirmed by the comparison of luminescent properties of pure HfO{sub 2}, SiO{sub 2}, Si-rich-HfO{sub 2} and Si-rich-SiO{sub 2} films. Additional argument for Si clusters’ formation was obtained under investigation of Er-doped Si-rich HfO{sub 2} films. These latter demonstrated 1.54-µm Er{sup 3+} luminescence under non-resonant excitation originating from an energy transfer from Si clusters towards Er{sup 3+} ions.

  20. A deuterium and carbon nuclear magnetic resonance spectroscopic investigation of blood flow and carbohydrate metabolism

    International Nuclear Information System (INIS)

    Bosch, C.S.E.

    1988-01-01

    The purpose of this study is the development and application of nuclear magnetic resonance (NMR) spectroscopic techniques for this study of whole tissue metabolism, tissue perfusion and blood flow. The feasibility of spin imaging deuterium-enriched tissue water is demonstrated in cat brain in vivo and in situ. The potential application of D 2 O administration to deuterium-flow-imaging is considered. NMR investigations of hepatic carbohydrate metabolism were performed in rat liver in vivo and in situ. A coaxial, double-surface-coil, double-resonance probe was developed for carbon detection while decoupling neighboring proton scalar interactions ( 13 C-[ 1 H]) in hepatic tissue within the living animal. Hormonal and substrate regulation of hepatic glucose and glycogen metabolism was investigated by monitoring the metabolic fate of an administered c-dose of [1- 13 C]glucose. Label flux was directed primarily into newly-synthesized 13 C-labeled glycogen. A multiple resonance ( 1 H, 13 C, 31 P) liver perfusion probe was designed for complimentary carbohydrate metabolic studies in rat liver in vitro. A description of the 13 C-[ 1 H]/ 31 P NMR perfusion probe is given. The surgical technique used for liver excision and peripheral life-support apparatus required to maintain hepatic function are also detailed

  1. Spectroscopic investigation of zinc tellurite glasses doped with Yb3 + and Er3 + ions

    Science.gov (United States)

    Bilir, Gökhan; Kaya, Ayfer; Cinkaya, Hatun; Eryürek, Gönül

    2016-08-01

    This paper presents a detailed spectroscopic investigation of zinc tellurite glasses with the compositions (0.80 - x - y) TeO2 + (0.20) ZnO + xEr2O3 + yYb2O3 (x = 0, y = 0; x = 0.004, y = 0; x = 0, y = 0.05 and x = 0.004, y = 0.05 per moles). The samples were synthesized by the conventional melt quenching method. The optical absorption and emission measurements were conducted at room temperature to determine the spectral properties of lanthanides doped zinc tellurite glasses and, to study the energy transfer processes between dopant lanthanide ions. The band gap energies for both direct and indirect possible transitions and the Urbach energies were measured from the absorption spectra. The absorption spectra of the samples were analyzed by using the Judd-Ofelt approach. The effect of the ytterbium ions on the emission properties of erbium ions was investigated and the energy transfer processes between dopant ions were studied by measuring the up-conversion emission properties of the materials. The color quality parameters of obtained visible up-conversion emission were also determined as well as possibility of using the Er3 + glasses as erbium doped fiber amplifiers at 1.55 μm in infrared emission region.

  2. Spectroscopic investigation of zinc tellurite glasses doped with Yb(3+) and Er(3+) ions.

    Science.gov (United States)

    Bilir, Gökhan; Kaya, Ayfer; Cinkaya, Hatun; Eryürek, Gönül

    2016-08-05

    This paper presents a detailed spectroscopic investigation of zinc tellurite glasses with the compositions (0.80-x-y) TeO2+(0.20) ZnO+xEr2O3+yYb2O3 (x=0, y=0; x=0.004, y=0; x=0, y=0.05 and x=0.004, y=0.05 per moles). The samples were synthesized by the conventional melt quenching method. The optical absorption and emission measurements were conducted at room temperature to determine the spectral properties of lanthanides doped zinc tellurite glasses and, to study the energy transfer processes between dopant lanthanide ions. The band gap energies for both direct and indirect possible transitions and the Urbach energies were measured from the absorption spectra. The absorption spectra of the samples were analyzed by using the Judd-Ofelt approach. The effect of the ytterbium ions on the emission properties of erbium ions was investigated and the energy transfer processes between dopant ions were studied by measuring the up-conversion emission properties of the materials. The color quality parameters of obtained visible up-conversion emission were also determined as well as possibility of using the Er(3+) glasses as erbium doped fiber amplifiers at 1.55μm in infrared emission region. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. In situ 119Sn Moessbauer spectroscopy used to study lithium insertion in c-Mg2Sn

    International Nuclear Information System (INIS)

    Aldon, L.; Ionica, C. M.; Lippens, P. E.; Larcher, D.; Tarascon, J.-M.; Olivier-Fourcade, J.; Jumas, J.-C.

    2006-01-01

    The electrochemical reactions of Li with c-Mg 2 Sn have been investigated by in situ Moessbauer spectroscopy of 119 Sn and X-ray diffraction. The lithiation transforms initially c-Mg 2 Sn part into Li x Mg 2 Sn alloy (x 2 MgSn ternary alloy. In situ Moessbauer spectroscopy provides valuable information on local environment of tin and swelling behavior and cracking of the particles during discharge and charge processes.

  4. Moessbauer study of solute interactions with the lattice defect and grain boundary

    International Nuclear Information System (INIS)

    Ishida, Y.

    1979-10-01

    Moessbauer effect was used in the investigations of defect structures of Al- 57 Co alloys introduced by electron irradiation and grain boundary embrittlement in binary iron alloys containing sup(119m)Sn nuclei. The behaviour of tin during aging of Al-Cu-Sn alloys was examined by Moessbauer spectra during isothermal annealing of the samples at various temperatures. Similar investigations were conducted for polycrystalline and bicrystalline silver foils containing sup(119m)Sn sandwiched in the boundary. The binding state of tin atoms segregated at the grain boundary of fine grained iron and iron alloys provided the clues for the embrittlement of iron alloys. The inhibiting effect of Ti, V, and Mo can be explained by the usurpation of the electrons in the tin atoms to the 3d shell of iron. Moessbauer effect was extensively applied in studying the aging behaviour of aluminium alloys in quenching, ion-implantation and electron irradiation processes

  5. Electrochemical and Spectroscopic Study of Mononuclear Ruthenium Water Oxidation Catalysts: A Combined Experimental and Theoretical Investigation

    KAUST Repository

    de Ruiter, J. M.; Purchase, R. L.; Monti, A.; van der Ham, C. J. M.; Gullo, M. P.; Joya, K. S.; D'Angelantonio, M.; Barbieri, A.; Hetterscheid, D. G. H.; de Groot, H. J. M.; Buda, F.

    2016-01-01

    derivatives). The proposed catalytic cycle and intermediates are examined using density functional theory (DFT), radiation chemistry, spectroscopic techniques, and electrochemistry to establish the water oxidation mechanism. The stability of the catalyst

  6. Dual Raman-Brillouin spectroscopic investigation of plant stress response and development

    Science.gov (United States)

    Coker, Zachary; Troyanova-Wood, Maria; Marble, Kassie; Yakovlev, Vladislav

    2018-03-01

    Raman and Brillouin spectroscopy are powerful tools for non-invasive and non-destructive investigations of material chemical and mechanical properties. In this study, we use a newly developed custom-built dual Raman-Brillouin microspectroscopy instrument to build on previous works studying in-vivo stress response of live plants using only a Raman spectroscopy system. This dual Raman-Brillouin spectroscopy system is capable of fast simultaneous spectra acquisition from single-point locations. Shifts and changes in a samples Brillouin spectrum indicate a change in the physical characteristics of the sample, namely mechano-elasticity; in measuring this change, we can establish a relationship between the mechanical properties of a sample and known stress response agents, such as reactive oxygen species and other chemical constituents as indicated by peaks in the Raman spectra of the same acquisition point. Simultaneous application of these spectroscopic techniques offers great promise for future development and applications in agricultural and biological studies and can help to improve our understanding of mechanochemical changes of plants and other biological samples in response to environmental and chemically induced stresses at microscopic or cellular level.

  7. Spectroscopic investigations on Pr3+ ions doped lead telluro-borate glasses for photonic applications

    Science.gov (United States)

    Suthanthirakumar, P.; Mariyappan, M.; Marimuthu, K.

    2018-04-01

    A new series of Lead telluro-borate glasses doped with different concentrations of Pr3+ ions (xPLTB) were prepared by melt quenching technique and their structural and spectroscopic properties were investigated by recording XRD, FTIR, optical absorption and luminescence spectral measurements. XRD measurements confirm the amorphous nature and the FTIR spectra reveal the presence of different vibrational modes of borate and tellurite networks in the prepared glasses. The bonding parameter values (δ) obtained from the absorption band positions indicates that the bonding between Pr3+ ions and their surrounding ligands is of ionic in nature. The optical band gap (Eopt) corresponding to the direct and indirect allowed transitions were determined with the framework of tauc's plot. From the luminescence spectra, important radiative parameters such as stimulated emission cross-section (σPE) , branching ratios (βR) and radiative lifetime (τR) were calculated for the dominant emission transition 3P0→3H4 (blue) in order to suggest the suitability of the studied glasses for suitable photonic applications.

  8. FT-IR, NMR spectroscopic and quantum mechanical investigations of two ferrocene derivatives

    Directory of Open Access Journals (Sweden)

    Ö. Alver

    2017-07-01

    Full Text Available New ferrocene derivatives as N-(3-piperidin-1-ylpropylferrocenamide (Fc-3ppa and N-(pyridine-3-ylmethylferrocenamide (Fc-3pica and structural investigations were carried out with 1H, 13C, DEPT 45 or 135, HETCOR, COSY NMR and FT-IR spectroscopic techniques. Characterization of Fc-3ppa (FeC19H26N2O and Fc-3pica (FeC17H16N2O was also supported by density functional theory (DFT used by B3LYP functional and 6-31G(d or 6-311++G(d,p basis sets. From the combination of all the results, it can be clearly seen that syntheses of Fc-3ppa and Fc-3pica have been successfully achieved. Theoretical values are successfully compared against experimental data and B3LYP method is able to provide satisfactory results for predicting NMR properties and vibrational frequencies of the synthesized ferrocene based systems.

  9. Investigation of silicate mineral sanidine by vibrational and NMR spectroscopic methods

    Science.gov (United States)

    Anbalagan, G.; Sankari, G.; Ponnusamy, S.; kumar, R. Thilak; Gunasekaran, S.

    2009-10-01

    Sanidine, a variety of feldspar minerals has been investigated through optical absorption, vibrational (IR and Raman), EPR and NMR spectroscopic techniques. The principal reflections occurring at the d-spacings, 3.2892, 3.2431, 2.9022 and 2.6041 Å confirm the presence of sanidine structure in the mineral. Sanidine shows five prominent characteristic infrared absorption bands in the region 1200-950, 770-720, 590-540 and 650-640 cm -1. The Raman spectrum shows the strongest band at 512 cm -1 characteristic of the feldspar structure, which contains four membered rings of tetrahedra. The UV-vis-NIR absorption spectrum had strong absorption features at 6757, 5780 and 5181 cm -1 due to the combination of fundamental OH- stretching. The bands at 11236 and 8196 cm -1and the strong, well-defined band at (30303 cm -1 attest the presence of Fe 2+ and Fe 3+, respectively, in the sample. The signals at g = 4.3 and 3.7 are interpreted in terms of Fe 3+ at two distinct tetrahedral positions Tl and T2 of the monoclinic crystal structure The 29Si NMR spectrum shows two peaks at -97 and -101 ppm corresponding to T2 and T1, respectively, and one peak in 27Al NMR for Al(IV).

  10. Electrochemical and Spectroscopic Study of Mononuclear Ruthenium Water Oxidation Catalysts: A Combined Experimental and Theoretical Investigation

    KAUST Repository

    de Ruiter, J. M.

    2016-09-20

    One of the key challenges in designing light-driven artificial photosynthesis devices is the optimization of the catalytic water oxidation process. For this optimization it is crucial to establish the catalytic mechanism and the intermediates of the catalytic cycle, yet a full description is often difficult to obtain using only experimental data. Here we consider a series of mononuclear ruthenium water oxidation catalysts of the form [Ru(cy)(L)(H2O)](2+) (cy = p-cymene, L = 2,2\\'-bipyridine and its derivatives). The proposed catalytic cycle and intermediates are examined using density functional theory (DFT), radiation chemistry, spectroscopic techniques, and electrochemistry to establish the water oxidation mechanism. The stability of the catalyst is investigated using online electrochemical mass spectrometry (OLEMS). The comparison between the calculated absorption spectra of the proposed intermediates with experimental spectra, as well as free energy calculations with electrochemical data, provides strong evidence for the proposed pathway: a water oxidation catalytic cycle involving four proton-coupled electron transfer (PCET) steps. The thermodynamic bottleneck is identified as the third PCET step, which involves O-O bond formation. The good agreement between the optical and thermodynamic data and DFT predictions further confirms the general applicability of this methodology as a powerful tool in the characterization of water oxidation catalysts and for the interpretation of experimental observables.

  11. Infrared Spectroscopic Study For Structural Investigation Of Lithium Lead Silicate Glasses

    International Nuclear Information System (INIS)

    Ahlawat, Navneet; Aghamkar, Praveen; Ahlawat, Neetu; Agarwal, Ashish; Monica

    2011-01-01

    Lithium lead silicate glasses with composition 30Li 2 O·(70-x)PbO·xSiO 2 (where, x = 10, 20, 30, 40, 50 mol %)(LPS glasses) were prepared by normal melt quench technique at 1373 K for half an hour in air to understand their structure. Compositional dependence of density, molar volume and glass transition temperature of these glasses indicates more compactness of the glass structure with increasing SiO 2 content. Fourier transform infrared (FTIR) spectroscopic data obtained for these glasses was used to investigate the changes induced in the local structure of samples as the ratio between PbO and SiO 2 content changes from 6.0 to 0.4. The observed absorption band around 450-510 cm -1 in IR spectra of these glasses indicates the presence of network forming PbO 4 tetrahedral units in glass structure. The increase in intensity with increasing SiO 2 content (upto x = 30 mol %) suggests superposition of Pb-O and Si-O bond vibrations in absorption band around 450-510 cm -1 . The values of optical basicity in these glasses were found to be dependent directly on PbO/SiO 2 ratio.

  12. Moessbauer study of ancient iron smelting slag in Japan

    International Nuclear Information System (INIS)

    Nakanishi, A.

    2008-01-01

    For an investigation of the ancient iron manufacturing technique, a reproducing experiment was carried out by archaeologists, where ancient type of iron smelting furnace was built and iron sand with high titanium contents was used as the raw material. During the operation of furnace, a large amount of slag flowed away from the furnace. In order to investigate the possibility for the estimation about the operative condition of furnace and the raw material, 57 Fe Moessbauer spectroscopy was applied for characterizing these slags and it was found that these slags mainly consisted of ferropseudobrookite (FeTi 2 O 5 ).

  13. Spectroscopic and TDDFT investigation on highly selective fluorogenic chemosensor and construction of molecular logic gates

    Energy Technology Data Exchange (ETDEWEB)

    Basheer, Sabeel M [Department of Chemistry, National Institute of Technology, Tiruchirappalli 620 015 (India); Kumar, Saravana Loganathan Ashok [Department of Chemistry, GRT Institute of Engineering Technology, Tiruttani (India); Kumar, Moorthy Saravana [Research and PG Department of Chemistry, Saraswathi Narayanan College, Madurai 625022 (India); Sreekanth, Anandaram, E-mail: sreekanth@nitt.edu [Department of Chemistry, National Institute of Technology, Tiruchirappalli 620 015 (India)

    2017-03-01

    1,5-Bis(2-fluorene)thiocarbohydrazone (FBTC) was designed and synthesized for selective sensing of fluoride and copper ions. The binding constants of FBTC towards fluoride and copper ions have been calculated using the Benesi-Hildebrand equation, and FBTC has more binding affinity towards copper ion than fluoride ion. The {sup 1}H NMR and {sup 13}C NMR titration studies strongly support the deprotonation was taken from the N–H protons followed by the formation of hydrogen bond via N–H{sup …}F. To understand the fluoride ion sensing mechanism, theoretical investigation had been carried out using the density functional theory and time-dependent density functional theory. The theoretical data well reproduced the experimental results. The deprotonation process has a moderate transition barrier (481.55 kcal/mol). The calculated ΔE and ΔG values (− 253.92 and − 192.41 kcal/mol respectively) suggest the feasibility of sensing process. The potential energy curves give the optimized structures of FBTC-F complex in the ground state and excited state, which states the proton transition occurs at the excited state. The excited state proton transition mechanism was further confirmed with natural bond orbital analysis. The reversibility of the sensor was monitored by the alternate addition of F{sup −} and Cu{sup 2+} ions, which was explained with “Read-Erase-Write-Read” behaviour. The multi-ion detection of sensor used to construct the molecular logic gate, such as AND, OR, NOR and INHIBITION logic gates. - Highlight: • Synthesis and characterised the thiosemicarbohydrazone derivative • Experimental evolution of selective fluoride and copper sensing via both colorimetric and spectroscopic studies • The proposed sensing mechanism of fluoride and copper ion were further confirmed with DFT and TD-DFT investigation • Receptor was turned as molecular switches and molecular logic gates.

  14. Spectroscopic investigations of novel pharmaceuticals: Stability and resonant interaction with laser beam

    Science.gov (United States)

    Smarandache, Adriana; Boni, Mihai; Andrei, Ionut Relu; Handzlik, Jadwiga; Kiec-Kononowicz, Katarzyna; Staicu, Angela; Pascu, Mihail-Lucian

    2017-09-01

    This paper presents data about photophysics of two novel thio-hydantoins that exhibit promising pharmaceutical properties in multidrug resistance control. Time stability studies are necessary to establish the proper use of these compounds in different applications. As for their administration as drugs, it is imperative to know their shelf life, as well as storage conditions. At the same time, laser induced modified properties of the two new compounds are valuable to further investigate their specific interactions with other materials, including biological targets. The two new thio-hydantoins under generic names SZ-2 and SZ-7 were prepared as solutions in dimethyl sulfoxide at different concentrations, as well as in deionised water. For the stability assay they were kept in various light/temperature conditions up to 60 days. The stability was estimates based on UV-vis absorption measurements. The samples in bulk shape were exposed different time intervals to laser radiation emitted at 266 nm as the fourth harmonic of a Nd:YAG laser. The resonant interaction of the studied compounds with laser beams was analysed through spectroscopic methods UV-vis and FTIR absorption, as well as laser induced fluorescence spectroscopy. As for stability assay, only solutions kept in dark at 4 °C have preserved the absorption characteristics, considering the cumulated measuring errors, less than one week. The vibrational changes that occur in their FTIR and modified fluorescence spectra upon laser beam exposure are also discussed. A result of the experimental analysis is that modifications are induced in molecular structures of the investigated compounds by resonant interaction with laser radiation. This fact evidences that the molecules are photoreactive and their characteristics might be shaped through controlled laser radiation exposure using appropriate protocols. This conclusion opens many opportunities both in the biomedical field, but also in other industrial activities

  15. Spectroscopic investigation of Bovine Liver Catalase interactions with a novel phen-imidazole derivative of platinum.

    Science.gov (United States)

    Ghobadi, Roohollah; Divsalar, Adeleh; Harifi-Mood, Ali Reza; Saboury, Ali Akbar

    2018-02-01

    Successful clinical experience of using cisplatin and its derivatives in cancer therapy has encouraged scientists to synthesize new metal complexes with the aim of interacting with special targets such as proteins In this regard, biological effects of [Pt(FIP)(Phen)](NO 3 ) 2 compound which contains a novel phen-imidazole ligand, FIP, was investigated on bovine liver catalase (BLC) structure and function. Various spectroscopic methods such as UV-visible, fluorescence, and circular dichroism (CD) were applied at two temperatures 25 and 37°C for kinetics and structural studies. As a consequence, the enzymatic activity decreased slightly with increasing the platinum compound's concentration up to 30 μM and then remained constant at near 80% after this concentration. On the other hand, the fluorescence quenching measurements revealed that despite slight changes in activity, catalase experiences notable alterations in three-dimensional environment around the chromophores of the enzyme structure with increasing platinum complex concentration. Moreover, quenching data showed that BLC has two binding sites for Pt complex and hydrogen bonding interactions play a major role in the binding process. Furthermore, CD spectroscopy data showed that Pt(II) complex induces significant decrease in α-helix content of the secondary structure of BLC, but notable increase in random coil proportion accompanying a slight decrease in β-sheet content. All in all, hydrogen bonding interactions which are mainly involved in the binding process of the novel phen-imidazole compound to BLC significantly alter the protein structure but slightly change its function. This might be a promising outcome for chemotherapists and medicinal chemists to investigate in vivo properties of this novel metal complex with significant binding tendency to a macromolecule in the low concentrations without decreasing its intrinsic function.

  16. Moessbauer high pressure and magnetic field studies of the superconductor FeSe

    Energy Technology Data Exchange (ETDEWEB)

    Ksenofontov, Vadim; Felser, Claudia [Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg - University, Mainz (Germany); Wortmann, Gerhard [Department of Physics, University of Paderborn, Paderborn (Germany); Trojan, Ivan; Palasyuk, Taras; Medvedev, Sergey; Eremets, Michail [Max-Planck-Institute for Chemistry, Mainz (Germany); McQueen, Tyrel M.; Cava, Richard J. [Department of Chemistry, Princeton University, Princeton (United States)

    2010-07-01

    Superconducting FeSe has been investigated by Moessbauer spectroscopy applying high pressure and strong external magnetic fields. It was found that pressure-induced structural phase transition between tetragonal and hexagonal modifications is accompanied by increased distortion of local surrounding of Fe atoms. Appearance of the hexagonal phase above 7.2 GPa is accompanied by degradation of superconducting properties of FeSe. Low-temperature measurements demonstrated that the ground states in both orthorhombic and hexagonal phases of FeSe are nonmagnetic. Moessbauer measurements in the external magnetic field below transition to the superconducting state revealed zero electron spin density on Fe atoms. Interpretation of Moessbauer spectra of FeSe in the Shubnikov phase is discussed.

  17. Moessbauer spectra of white micas from the Central Western Carpathians Mountains

    International Nuclear Information System (INIS)

    Sitek, J; Toth, I; Sulak, M; Putis, M

    2010-01-01

    Potassium white micas from the rocks included into Cretaceous deformation zones (ca. 100-70 Ma in age) of the Central Western Carpathians were investigated by Moessbauer spectroscopy. White micas formed during a polystage evolution and changing P-T conditions of their crystallization in crustal-scale shear zones. We found criteria for distinguishing generations of celadonite-poor (muscovitic) and celadonite-rich (phengitic) white micas using Moessbauer spectroscopy. This method revealed contrasting spectra characterized by typical quadrupole doublets corresponding to Fe 2+ Fe 3+ contents in white micas. They are in the range of 2.9-3.0 mm/s for phengite, and 2.6-2.7 mm/s for muscovite. Moessbauer spectra reflect well the chemical changes in white mica aggregates, especially of those close to the end-member muscovite and (alumino-)celadonite compositions.

  18. Moessbauer spectra of white micas from the Central Western Carpathians Mountains

    Energy Technology Data Exchange (ETDEWEB)

    Sitek, J; Toth, I [Department of Nuclear Physics and Technology, Faculty of Electrical Engineering and Information Technology, Slovak University of Technology, Ilkovicova 3, Bratislava (Slovakia); Sulak, M; Putis, M, E-mail: jozef.sitek@stuba.s [Department of of Mineralogy and Petrology, Faculty of Natural Sciences, Comenius University Bratislava, Mlynska dolina G, 842 15 Bratislava (Slovakia)

    2010-03-01

    Potassium white micas from the rocks included into Cretaceous deformation zones (ca. 100-70 Ma in age) of the Central Western Carpathians were investigated by Moessbauer spectroscopy. White micas formed during a polystage evolution and changing P-T conditions of their crystallization in crustal-scale shear zones. We found criteria for distinguishing generations of celadonite-poor (muscovitic) and celadonite-rich (phengitic) white micas using Moessbauer spectroscopy. This method revealed contrasting spectra characterized by typical quadrupole doublets corresponding to Fe{sup 2+} Fe{sup 3+} contents in white micas. They are in the range of 2.9-3.0 mm/s for phengite, and 2.6-2.7 mm/s for muscovite. Moessbauer spectra reflect well the chemical changes in white mica aggregates, especially of those close to the end-member muscovite and (alumino-)celadonite compositions.

  19. Dose rate to cellular systems of the inner ear during Moessbauer experiments

    International Nuclear Information System (INIS)

    Kliauga, P.; Khanna, S.

    1982-01-01

    In the Moessbauer technique for vibration measurements a small radioactive source is placed on the basilar membrane. This source produces gamma rays of precise frequencies. When sound is applied to the ear the source vibrates with the basilar membrane. These vibrations produce a Doppler shift in the frequency of the emitted γ rays. Although the method provides a sensitive means of measuring small vibrations it requires placement of a radioactive material in close proximity to sensitive receptor cells. The purpose of this paper is to investigate whether radiation from the Moessbauer source itself can produce sufficient radiation damage to the tissue to alter its physiological response. The absorbed dose delivered to the organ of Corti under typical experimental conditions is calculated. Possible implications for the Moessbauer experiments are discussed

  20. Early Pottery Making in Northern Coastal Peru. Part I: Moessbauer Study of Clays

    International Nuclear Information System (INIS)

    Shimada, I.; Haeusler, W.; Hutzelmann, T.; Wagner, U.

    2003-01-01

    We report on an investigation of several ancient clays which were used for pottery making in northern coastal Peru at a kiln site from the Formative period (ca. 2000-800 BC) in the Poma Canal and at a Middle Sican pottery workshop in use between ca. AD 950 and 1050 at Huaca Sialupe in the lower La Leche valley. Neutron activation analysis, 57 Fe Moessbauer spectroscopy and X-ray diffraction were used for the characterisation of the clays. The changes that occur in iron-bearing compounds in the clays depending on the kiln atmosphere and on the maximum firing temperature were studied by Moessbauer spectroscopy and X-ray diffraction. Laboratory firing series under varying controlled conditions were performed to obtain a basic understanding of the different reactions taking place in the clays during firing. The results can be used as models in the interpretation of the Moessbauer spectra observed in ancient ceramics from the same context.

  1. In-situ Moessbauer Spectroscopy with MIMOS II at Rio Tinto, Spain

    Energy Technology Data Exchange (ETDEWEB)

    Fleischer, I; Klingelhoefer, G; Wehrheim, S; Ebert, S; Panthoefer, M; Blumers, M; Schmanke, D; Maul, J; Schroeder, C [Institut fuer Anorganische und analytische Chemie, Johannes-Gutenberg-Universitaet Mainz, Staudinger Weg 9, 55128 Mainz (Germany); Rull, F, E-mail: fleischi@uni-mainz.d [Unidad Asociada UVA-CSIC, al Centro de AstrobiologIa, Universidad de Valladolid, 47006-Valladolid (Spain)

    2010-03-01

    The Rio Tinto, located in southwest Spain, exhibits a nearly constant, acidic pH-value along its course. Due to the formation of sulfate minerals, Rio Tinto is considered a potential analogue site for sulfate-rich regions on Mars, in particular at the landing site of the Mars Exploration Rover Opportunity, where the ferric sulfate mineral jarosite was identified with Opportunity's Moessbauer spectrometer. Primary and secondary mineralogy was investigated in situ with portable Raman and Moessbauer spectrometers at four different Rio Tinto sampling sites. The two techniques analyse different sample portions due to their specific field of view and sampling depth and provide complementary mineralogical information.

  2. In-situ Moessbauer Spectroscopy with MIMOS II at Rio Tinto, Spain

    International Nuclear Information System (INIS)

    Fleischer, I; Klingelhoefer, G; Wehrheim, S; Ebert, S; Panthoefer, M; Blumers, M; Schmanke, D; Maul, J; Schroeder, C; Rull, F

    2010-01-01

    The Rio Tinto, located in southwest Spain, exhibits a nearly constant, acidic pH-value along its course. Due to the formation of sulfate minerals, Rio Tinto is considered a potential analogue site for sulfate-rich regions on Mars, in particular at the landing site of the Mars Exploration Rover Opportunity, where the ferric sulfate mineral jarosite was identified with Opportunity's Moessbauer spectrometer. Primary and secondary mineralogy was investigated in situ with portable Raman and Moessbauer spectrometers at four different Rio Tinto sampling sites. The two techniques analyse different sample portions due to their specific field of view and sampling depth and provide complementary mineralogical information.

  3. Moessbauer spectroscopy of the Soledade meteorite

    International Nuclear Information System (INIS)

    Paduani, Clederson; Peres, Carlos Ariel Samudio

    2004-01-01

    Full text: Since the early studies of the microstructure and chemical composition of meteorites the formation of magnetic phases have attracted the attention of metallurgists. Mostly metallic specimens presented high contents of nickel and iron as major constituents, and thus the Fe-Ni alloys formed under such special conditions have been the subject of several investigations with a variety of experimental techniques. This is not an easy task considering the weathering process and the distribution of oxides in the metallic matrix, which in some cases varies in composition from one region to another. In this work we applied the Moessbauer spectroscopy to study the iron-bearing phases detected in the meteorite called Soledade. Although no one knows precisely who and when this specimen was found, it received the name of the locality from where it proceeded near the city of Passo Fundo in the state of Rio Grande do Sul in Brazil. The first studies indicate that this metallic meteorite is an octahedrite, with polycrystalline troilite, cohenite, schreibersite and rhabdites as major constituents. It consists of a solid block weighing 68 kg, with an irregular form measuring about 36x22x16 cm. (author)

  4. Spectroscopic investigation on europium doped heavy metal borate glasses for red luminescent application

    Energy Technology Data Exchange (ETDEWEB)

    Hegde, Vinod; Wagh, Akshatha; Kamath, Sudha D. [Manipal University, Department of Physics, Manipal Institute of Technology, Manipal (India); Hegde, Hemanth [Manipal University, Department of Chemistry, Manipal Institute of Technology, Manipal (India); Vishwanath, C.S.D. [Sri Venkateswara University, Department of Physics, Tirupati (India)

    2017-05-15

    The present study explores a new borate family glasses based on 10ZnO-5Na{sub 2}O-10Bi{sub 2}O{sub 3}-(75 - x) B{sub 2}O{sub 3}-xEu{sub 2}O{sub 3} (x = 0, 0.1, 0.5, 1, 1.5, 2, 3 mol%) composition, synthesized by rapid melt quench technique. Prepared glasses were subjected to the density and refractive index measurements and their values were used to calculate other physical properties of the glass matrix as a function of Eu{sup 3+} concentration. XRD confirmed amorphous nature of the glasses. FTIR spectra in the absorption mode were recorded in the 400-4000 cm{sup -1} region to identify different functional groups in the glass matrix. Deconvoluted FTIR spectra showed increase in BO{sub 4} units with rise in europium content which confirmed the 'network strengthener' role of europium ions by creating bridging oxygens (BOs). Optical properties were investigated for their luminescence behavior through various spectroscopic techniques such as UV-Vis-NIR absorption, excitation, emission, decay profiles, and color measurements at room temperature. Lasing properties of the glasses like total radiative life time, branching ratio, emission cross section, and optical gain were obtained from the calculated Judd-Ofelt (Ω{sub 2},Ω{sub 4}) intensity parameters. From the measured values of emission, cross sections, branching ratios, life times, strong photoluminescence features, and CIE chromaticity coordinates, 0.5 mol% of Eu{sup 3+} ions doped ZnNaBiB glasses showed optimum performance and are potential candidate for red light generation at 613 nm. (orig.)

  5. Raman and photoelectron spectroscopic investigation of high-purity niobium materials: Oxides, hydrides, and hydrocarbons

    Science.gov (United States)

    Singh, Nageshwar; Deo, M. N.; Nand, Mangla; Jha, S. N.; Roy, S. B.

    2016-09-01

    We present investigations of the presence of oxides, hydrides, and hydrocarbons in high-purity (residual resistivity ratio, ˜300) niobium (Nb) materials used in fabrication of superconducting radio frequency (SRF) cavities for particle accelerators. Raman spectroscopy of Nb materials (as-received from the vendor as well as after surface chemical- and thermal processing) revealed numerous peaks, which evidently show the presence of oxides (550 cm-1), hydrides (1277 and 1385 cm-1: ˜80 K temperature), and groups of hydrocarbons (1096, 2330, 2710, 2830, 2868, and 3080 cm-1). The present work provides direct spectroscopic evidence of hydrides in the electropolished Nb materials typically used in SRF cavities. Raman spectroscopy thus can provide vital information about the near-surface chemical species in niobium materials and will help in identifying the cause for the performance degradation of SRF cavities. Furthermore, photoelectron spectroscopy was performed on the Nb samples to complement the Raman spectroscopy study. This study reveals the presence of C and O in the Nb samples. Core level spectra of Nb (doublet 3d5/2 and 3d3/2) show peaks near 206.6 and 209.4 eV, which can be attributed to the Nb5+ oxidation state. The core level spectra of C 1 s of the samples are dominated by graphitic carbon (binding energy, 284.6 eV), while the spectra of O 1 s are asymmetrically peaked near binding energy of ˜529 eV, and that indicates the presence of metal-oxide Nb2O5. The valence-band spectra of the Nb samples are dominated by a broad peak similar to O 2p states, but after sputtering (for 10 min) a peak appears at ˜1 eV, which is a feature of the elemental Nb atom.

  6. Comparative Spectroscopic Investigation of Tm3+:Tellurite Glasses for 2-μm Lasing Applications

    Directory of Open Access Journals (Sweden)

    Huseyin Cankaya

    2018-02-01

    Full Text Available We performed a comparative spectroscopic analysis on three novel Tm3+:tellurite-based glasses with the following compositions Tm2O3:TeO2-ZnO (TeZnTm, Tm2O3:TeO2-Nb2O5 (TeNbTm, and Tm3+:TeO2-K2O-Nb2O5 (TeNbKTm, primarily for 2-μm laser applications. Tellurite glasses were prepared at different doping concentrations in order to investigate the effect of Tm3+ ion concentration as well as host composition on the stimulated emission cross sections and the luminescence quantum efficiencies. By performing Judd–Ofelt analysis, we determined the average radiative lifetimes of the 3H4 level to be 2.55 ± 0.07 ms, 2.76 ± 0.03 ms and 2.57 ± 0.20 ms for the TeZnTm, TeNbTm and TeNbKTm samples, respectively. We clearly observed the effect of the cross-relaxation, which becomes significant at higher Tm2O3 concentrations, leading to the quenching of 1460-nm emission and enhancement of 1860-nm emission. Furthermore, with increasing Tm2O3 concentrations, we observed a decrease in the fluorescence lifetimes as a result of the onset of non-radiative decay. For the 3H4 level, the highest obtained quantum efficiency was 32% for the samples with the lowest Tm2O3 ion concentration. For the 1860-nm emission band, the average emission cross section was determined to measure around 6.33 ± 0.34 × 10−21 cm2, revealing the potential of thulium-doped tellurite gain media for 2-μm laser applications in bulk and fiber configurations.

  7. Analysis of biological tissues by Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Bonkova, I.; Bujdos, M.; Miglierini, M.

    2016-01-01

    The aim of this work was to analyze of biological tissues by Moessbauer spectroscopy in terms of demonstration of the magnetic properties of iron and its structural positions. Lyophilized samples of the human brain, human and equine spleen were used for the analysis. The samples were measured with 57 Fe Moessbauer spectroscopy in transmission arrangement at room temperature (∼ 300 K) and at a temperature of liquid helium (4.2 K). The resulting Moessbauer spectra measured at room temperature had doublet character, which confirms the presence of non-magnetic particles. On the contrary, low-temperature measurements are a superposition of several sextet and one duplicate. Hyperfine parameters obtained are similar to those reported hematite, ferrihydrite or magnetite. (authors)

  8. Moessbauer Studies of Volhynian Basalts

    International Nuclear Information System (INIS)

    Bakun-Czubarow, N.; Milczarski, J.; Galazka-Friedman, J.; Szlachta, K.; Forder, S.

    2011-01-01

    The Volhynian basalts studied belong to the effusive-tuffogenic Volhynian Series (Slawatycze Series in Poland), being the large Ediacaran continental igneous province, that covers an area of 200 000 km 2 in the western margin of East European Craton. The series is underlain by the Cryogenian terrigenous Polesie Series with doleritic sills and dikes. The Volhynian Series consists of the rock beds belonging to the three volcanic cycles with different ratios of flood basalts to pyroclastics. The aim of the study was recognition of primary and secondary Fe-bearing minerals, particularly Fe- and Fe-Ti oxides as well as determination of iron oxidation state, that is an important tool in the search for native copper deposits in these rocks. For Moessbauer studies the following rock samples were chosen: the Polesie Series dolerites, the Volhynian Series basalts from the Ukrainian quarries and drill-holes, e.g. from the Volodymir Volhynskaya drilling hole; the Slawatycze Series basalts from Kaplonosy drill-hole in Poland. In the Kaplonosy basalts the content of magnetite decreases with depth, which may be caused by magma differentiation due to fractional crystallization, when Mg content decreases as Ti and Fe - increases in basic magma. In the Kaplonosy basalts the Fe 2+ /Fe 3+ ratio increases with depth, which points to the increase of iron oxidation with the progress of basaltic magma differentiation. (authors)

  9. Spectroscopic Investigations of Highly Charged Tungsten Ions - Atomic Spectroscopy and Fusion Plasma Diagnostics

    Energy Technology Data Exchange (ETDEWEB)

    Clementson, Joel [Lund Univ. (Sweden)

    2010-05-01

    The spectra of highly charged tungsten ions have been investigated using x-ray and extreme ultraviolet spectroscopy. These heavy ions are of interest in relativistic atomic structure theory, where high-precision wavelength measurements benchmark theoretical approaches, and in magnetic fusion research, where the ions may serve to diagnose high-temperature plasmas. The work details spectroscopic investigations of highly charged tungsten ions measured at the Livermore electron beam ion trap (EBIT) facility. Here, the EBIT-I and SuperEBIT electron beam ion traps have been employed to create, trap, and excite tungsten ions of M- and L-shell charge states. The emitted spectra have been studied in high resolution using crystal, grating, and x-ray calorimeter spectrometers. In particular, wavelengths of n = 0 M-shell transitions in K-like W55+ through Ne-like W64+, and intershell transitions in Zn-like W44+ through Co-like W47+ have been measured. Special attention is given to the Ni-like W46+ ion, which has two strong electric-dipole forbidden transitions that are of interest for plasma diagnostics. The EBIT measurements are complemented by spectral modeling using the Flexible Atomic Code (FAC), and predictions for tokamak spectra are presented. The L-shell tungsten ions have been studied at electron-beam energies of up to 122 keV and transition energies measured in Ne-like W64+ through Li-like W71+. These spectra constitute the physics basis in the design of the ion-temperature crystal spectrometer for the ITER tokamak. Tungsten particles have furthermore been introduced into the Sustained Spheromak Physics Experiment (SSPX) spheromak in Livermore in order to investigate diagnostic possibilities of extreme ultraviolet tungsten spectra for the ITER divertor. The spheromak measurement and spectral modeling using FAC suggest that tungsten ions in charge states around Er-like W6+ could be useful for

  10. Interstitial diffusion in crystal and the Moessbauer effect

    International Nuclear Information System (INIS)

    Dzyublik, A.Ya.

    1976-01-01

    The role of different vibrational states of a crystal is taken into account in the model of interstitial uncorrelated jumps. The relation of the diffusion coefficient for an interstitial with probabilities of jumps is found. The cross section for resonant absorption of γ-quanta by a nucleus of a diffusing atom in a crystal is calculated. The existence of vibrational levels is shown to lead to less broadening and intensity of the Moessbauer line than those predicted by the simple model of jumps. The absorption line shape for atom jumping through octahedral sites in bcc lattice is investigated [ru

  11. Preparation of thin targets from powders for Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Jurela, Z.; Jokic, T.; Goncic, B.

    1979-01-01

    To study radiation damage in the specimen bombarded by the beams of fast particles the Moessbauer spectroscopy can be used. This is one of nondestructive methods for studying radiation damage. The use of this method of investigation and sputtering processes as well as for the study of the phenomena associated with these processes. These studies enable the complete image of the above processes. In this work we shall discuss the preparation of thin targets made from powder material. the method is based mainly on the use of various compounds of iron. Under the influence of the bombardment by fast ions the transformations of the iron compounds occur. (author)

  12. Electrochemical and spectroscopic investigations of immobilized de novo designed heme proteins on metal electrodes

    DEFF Research Database (Denmark)

    Albrecht, Tim; Li, WW; Ulstrup, Jens

    2005-01-01

    On the basis of rational design principles, template-assisted four-helix-bundle proteins that include two histidines for coordinative binding of a heme were synthesized. Spectroscopic and thermodynamic characterization of the proteins in solution reveals the expected bis-histidine coordinated heme...

  13. Spectroscopic and laser investigations of Nd3+ and Yb3+ in rare-earth oxyborates

    International Nuclear Information System (INIS)

    Lupei, A.; Lupei, V.; Gheorghe, L.; Aka, G.; Vivien, D.; Antic- Fidancev, E.

    2002-01-01

    Since 1997 a new class of non-linear crystals have been intensively investigated, the rare-earth and calcium oxyborates RECa 4 O(BO 3 ) 4 -RECOB (especially with RE 3+ = Y 3+ or Gd 3+ ). These crystals can be grown from melt and have large effective non-linear coefficients; they present a large transparence range from 0.2-5 mm, are non-hygroscopic, have a high damage threshold, can be doped with large concentrations of laser active ions, etc. Undoped these crystals are good doublers and doped with Nd 3+ or Yb 3+ they can be used in the self - conversion regime for transformation of the infrared radiation into green, blue or red. A series of fundamental structural, spectroscopic and laser emission characteristics of Nd 3+ or Yb 3+ doped RECOB are still under study. Thus, one important aspect discussed in literature is the degree of disorder of RECOB crystals. The research performed in the frame of CERES project was devoted to the growth of the of RECOB crystals doped with Nd 3+ or Yb 3+ , structural investigations and high-resolution optical spectral investigations and Nd 3+ laser emission. The growth of RECa 4 O(BO) 3 (Y 3+ and Gd 3+ ) single crystals was performed with an ADL furnace by using Czochralski method. Good optical crystals were obtained on direction; X-ray structural studies were also performed. The low temperatures high-resolution optical spectral measurements on Nd 3+ and Yb 3+ doped GdCOB and YCOB allowed the clarification of some structural characteristics of these crystals. Two problems were studied: the intrinsic structure of undoped crystals and the doping effects. Studies revealed for the first time by optical spectroscopy essential differences between GdCOB and YCOB crystals; they refer to the satellite structure of Yb 3+ or Nd 3+ and inhomogeneous broadening, indicating a disordered structure much larger for YCOB, qualitatively in accord with recent X-ray results. Based on spectral, emission decay and structural investigations, models for

  14. Approximation of Moessbauer spectra of metallic glasses

    International Nuclear Information System (INIS)

    Miglierini, M.; Sitek, J.

    1988-01-01

    Moessbauer spectra of iron-rich metallic glasses are approximated by means of six broadened lines which have line position relations similar to those of α-Fe. It is shown via the results of the DISPA (dispersion mode vs. absorption mode) line shape analysis that each spectral peak is broadened owing to a sum of Lorentzian lines weighted by a Gaussian distribution in the peak position. Moessbauer parameters of amorphous metallic Fe 83 B 17 and Fe 40 Ni 40 B 20 alloys are presented, derived from the fitted spectra. (author). 2 figs., 2 tabs., 21 refs

  15. Moessbauer study of iron(III) salicylates

    Energy Technology Data Exchange (ETDEWEB)

    Mahesh, K; Sharma, N D; Gupta, D C [Kurukshetra Univ. (India). Dept. of Physics; Puri, D M [Kurukshetra Univ. (India). Dept. of Chemistry

    1979-07-01

    Moessbauer infrared and magnetic studies of different basic salicylates of iron(III) are reported. Comparison of observed isomer shift and quadrupole splitting with the earlier work allows to assign the trinuclear chain structure to the complexes wherein the central iron atom in the chain is considered to be octahedrally coordinated in case of salicylate and 4-aminosalicylate derivatives, and pentacoordinated for the thiosalicylate with the terminal iron atom in tetrahedral symmetry. The Moessbauer parameters and ..mu..sub(eff)-value indicate the high spin state of the central iron atom and low spin state for the terminal ones.

  16. Moessbauer firing study of Peruvian clays

    International Nuclear Information System (INIS)

    Salazar, R.; Wagner, U.; Wagner, F.E.

    1983-01-01

    In connection with work on ancient ceramics Moessbauer studies of the firing behaviour of six Peruvian clays have been performed in oxidizing and reducing atmospheres. For two clays, one of them is poor, the other one is rich in oxides, the change of the Moessbauer parameters on firing between 100 and 1350 0 C was measured in detail, both with and without preceding reduction. The minerals present at characteristic temperatures are determined by X-ray diffraction and an attempt is made to discuss the physical and chemical processes occurring in the different temperature ranges. (author)

  17. Chemical aspects of 237 Np Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Karraker, D.G.

    1984-01-01

    The 237 Np Moessbauer effect has been especially useful in studies of neptunium chemistry, by virtue of its excellent resolution and straightforward experimental techniques. Neptunium can have valences from +3 to +7, and a broad range of compounds can be prepared that are analogous to those of other actinide elements. Studies on neptunium compounds, for example, have a ready application to the analogous compounds of uranium and plutonium. The emphasis in this paper will be on the application of the 237 Np Moessbauer effect to problems in neptunium chemistry

  18. A driving system for Moessbauer spectrometer

    International Nuclear Information System (INIS)

    Maslan, M.; Cholmeckij, A.; Evdokimov, V.; Misevic, O.; Fedorov, A.; Zak, D.

    1993-01-01

    The driving system of a Moessbauer spectrometer is described. The system comprises a minivibrator, a digital generator of the reference velocity signal, and circuits for controlling the vibrator. The reference velocity signal is stored by the control computer in an intermediate storage. The feedback in the control circuits includes correction for nonlinearity of the driving facility. A Moessbauer spectrometer which is equipped with this driving system exhibits a velocity scale nonlinearity below 0.1%. The resonance line width for sodium nitroprusside is 0.27 ± 0.01 mm/s. (author). 6 figs., 8 refs

  19. Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations

    Science.gov (United States)

    Sureshkumar, B.; Mary, Y. Sheena; Resmi, K. S.; Panicker, C. Yohannan; Armaković, Stevan; Armaković, Sanja J.; Van Alsenoy, C.; Narayana, B.; Suma, S.

    2018-03-01

    Two 8-hydroxyquinoline derivatives, 5,7-dichloro-8-hydroxyquinoline (57DC8HQ) and 5-chloro-7-iodo-8-hydroxy quinoline (5CL7I8HQ) have been investigated in details by means of spectroscopic characterization and computational molecular modelling techniques. FT-IR and FT-Raman experimental spectroscopic approaches have been utilized in order to obtain detailed spectroscopic signatures of title compounds, while DFT calculations have been used in order to visualize and assign vibrations. The computed values of dipole moment, polarizability and hyperpolarizability indicate that the title molecules exhibit NLO properties. The evaluated HOMO and LUMO energies demonstrate the chemical stability of the molecules. NBO analysis is made to study the stability of the molecules arising from hyperconjugative interactions and charge delocalization. DFT calculations have been also used jointly with MD simulations in order to investigate in details global and local reactivity properties of title compounds. Also, molecular docking has been also used in order to investigate affinity of title compounds against decarboxylase inhibitor and quinoline derivatives can be a lead compounds for developing new antiparkinsonian drug.

  20. Electrochemical and spectroscopic in situ techniques for the investigation of the phosphating of zinc coated steel

    International Nuclear Information System (INIS)

    Tomandl, A.

    2003-05-01

    In this work spectroscopic and electrochemical techniques were developed for the investigation of surface treatments used in steel industry. ICP-atomic emission spectroscopy (ICP-AES), Raman spectroscopy and the Quartz crystal microbalance (QCM) were applied to the investigation of the kinetics of phosphating as well as the properties of phosphate layers. Phosphating of zinc coated steel leads to the formation of a crystalline layer consisting of zinc phosphate and is employed to enhance paint adhesion and corrosion protection. For the high reaction rates necessary in industrial production lines, oxidation agents are added to the phosphating bathes to accelerate the reaction. The oxidation agents provide an additional reduction reaction beside the hydrogen formation and therefore decrease the number of gas bubbles, which would block the zinc surface and reduce the rate of phosphating. With addition of H2O2 or nitrates the rate of layer formation is distinctly increased. In a combined experiment of ICP-AES with QCM and potential transients, it was shown that the presence of these accelerators in the phosphating bath increases the rate of zinc dissolution and hence leads to a faster formation of the phosphate layer. In under paint corrosion of painted, zinc coated steel phosphate layers are exposed to a highly alkaline environment. The stability of a phosphate layer against alkaline attack is therefore essential for its performance in corrosion protection. To enhance the alkaline stability Mn and Ni are added to modern phosphating bathes. The incorporation of these elements reduces the dissolution rate in 0.1 M NaOH proportional to their concentration in the phosphate layer. The dissolution of Zn, P, Mn and Ni was determined quantitatively with ICP-AES. Raman spectroscopy showed the formation of a Mn-hydroxide layer during alkaline attack, which protects the phosphate layer and reduces further dissolution. On basis of these results the reaction of phosphate layers

  1. Moessbauer studies of iron(III)-(indole-3-alkanoic acids) systems in frozen aqueous solutions

    International Nuclear Information System (INIS)

    Kovacs, K.; Kuzmann, E.; Homonnay, Z.; Szilagyi, P.A.; Vertes, A.; Kamnev, A.A.; Sharma, V.K.

    2005-01-01

    Moessbauer investigations of iron(III) salts in aqueous solutions in the presence of indole-3-alkanoic acid ligands are described. The measurements showed two parallel reactions between the ligands and ferric ions: a complex formation and a redox process. The oxidation process takes place in the ligands, and a part of Fe 3+ is reduced to Fe 2+ . (author)

  2. Iron minerals formed by dissimilatory iron-and sulfur reducing bacteria studied by Moessbauer spectrometry

    International Nuclear Information System (INIS)

    Chistyakova, N. I.; Rusakov, V. S.; Nazarova, K. A.; Koksharov, Yu. A.; Zavarzina, D. G.; Greneche, J.-M.

    2008-01-01

    Zero-field and in-field Moessbauer investigations and electron paramagnetic resonance (EPR) measurements to follow the kinetics of the iron mineral formation by thermophilic dissimilatory anaerobic Fe(III)-reducing bacteria (strain Z-0001) and anaerobic alkaliphilic bacteria (strain Z-0531) were carried out.

  3. Deconvolution of Moessbauer spectra using Voigt functions; Deconvolucion de espectros Moessbauer empleando funciones Voigt

    Energy Technology Data Exchange (ETDEWEB)

    Flores Ll, H J

    1990-08-15

    The form of the resonance line in Moessbauer spectroscopy is a form of Lorentzian line, but this form of line it enlarges due to several effects: finite thickness of the absorber, instrumental instability, diffusion of Co{sup 57} in crystals and fluctuations in the environment of the emitting nucleus. To take into account this effects it has been used as form of line in Moessbauer spectroscopy the Voigt function that is the convolution of a Lorentzian and a Gaussian. (Author)

  4. Spectroscopic investigation of indium halides as substitudes of mercury in low pressure discharges for lighting applications

    Energy Technology Data Exchange (ETDEWEB)

    Briefi, Stefan

    2012-05-22

    Low pressure discharges with indium halides as radiator are discussed as substitutes for hazardous mercury in conventional fluorescent lamps. In this work, the applicability of InBr and InCl in a low pressure discharge light source is investigated. The aim is to identify and understand the physical processes which determine the discharge characteristics and the efficiency of the generated near-UV emission of the indium halide molecule and of the indium atom which is created due to dissociation processes in the plasma. As discharge vessels sealed cylindrical quartz glass tubes which contain a defined amount of indium halide and a rare gas are used. Preliminary investigations showed that for a controlled variation of the indium halide density a well-defined cold spot setup is mandatory. This was realized in the utilized experimental setup. The use of metal halides raises the issue, that power coupling by internal electrodes is not possible as the electrodes would quickly be eroded by the halides. The comparison of inductive and capacitive RF-coupling with external electrodes revealed that inductively coupled discharges provide higher light output and much better long term stability. Therefore, all investigations are carried out using inductive RF-coupling. The diagnostic methods optical emission and white light absorption spectroscopy are applied. As the effects of absorption-signal saturation and reabsorption of emitted radiation within the plasma volume could lead to an underestimation of the determined population densities by orders of magnitude, these effects are considered in the data evaluation. In order to determine the electron temperature and the electron density from spectroscopic measurements, an extended corona model as population model of the indium atom has been set up. A simulation of the molecular emission spectra has been implemented to investigate the rovibrational population processes of the indium halide molecules. The impact of the cold spot

  5. Corrosion investigation of fire-gilded bronze involving high surface resolution spectroscopic imaging

    International Nuclear Information System (INIS)

    Masi, G.; Chiavari, C.; Avila, J.; Esvan, J.; Raffo, S.; Bignozzi, M.C.; Asensio, M.C.; Robbiola, L.

    2016-01-01

    Graphical abstract: - Highlights: • Fire-gilded bronze prepared by ancient methods (Au–Hg layer on Cu–Sn–Zn–Pb–Sb). • Heating during gilding induces Sn and Znenrichment in the top part of the gilded layer. • SR-HRPES mapping of corrosion craters (cross-section) after accelerated ageing. • Selective dissolution of Cu and Zn in the craters induces Sn species enrichment. • The main species in the craters are related to hydroxi-oxide compounds. - Abstract: Gilded bronzes are often affected by severe corrosion, due to defects in the Au layer and Au/Cu alloy galvanic coupling, stimulated by large cathodic area of the gilded layer. Galvanic corrosion, triggered by gilding defects, leads to products growth at the Au/bronze interface, inducing blistering or break-up of the Au layer. In this context, fire-gilded bronze replicas prepared by ancient methods (use of spreadable Au–Hg paste) was specifically characterised by compiling complementary spectroscopic and imaging information before/after accelerated ageing with synthetic rain. Fire-gilded bronze samples were chemically imaged in cross-section at nano-metric scale (<200 nm) using high energy and lateral resolution synchrotron radiation photoemission (HR-SRPES) of core levels and valence band after conventional characterisation of the samples by Glow Discharge optical Emission Spectroscopy (GD-OES) and conventional X-ray photoelectron spectroscopy (XPS). We have found a net surface enrichment in Zn and Sn after fire-gilding and presence of metallic Hg, Pb and Cu within the Au layer. Moreover, the composition distribution of the elements together with their oxidation has been determined. It was also revealed that metallic phases including Hg and Pb remain in the gilding after corrosion. Moreover, selective dissolution of Zn and Cu occurs in the crater due to galvanic coupling, which locally induces relative Sn species enrichment (decuprification). The feasibility advantages and disadvantages of

  6. Corrosion investigation of fire-gilded bronze involving high surface resolution spectroscopic imaging

    Energy Technology Data Exchange (ETDEWEB)

    Masi, G., E-mail: giulia.masi5@unibo.it [Dipartimento di Ingegneria Civile, Chimica, Ambientale e dei Materiali, Università di Bologna, via Terracini 28, 40131 Bologna (Italy); Chiavari, C., E-mail: cristina.chiavari@unibo.it [Dipartimento di Ingegneria Civile, Chimica, Ambientale e dei Materiali, Università di Bologna, via Terracini 28, 40131 Bologna (Italy); C.I.R.I. (Centro Interdipartimentale Ricerca Industriale) Meccanica Avanzata e Materiali, Università di Bologna, Bologna, via Terracini 28, 40131 Bologna (Italy); Avila, J., E-mail: jose.avila@synchrotron-soleil.fr [Synchrotron SOLEIL, L’Orme des Merisiers, 91190 Saint-Aubin (France); Esvan, J., E-mail: jerome.esvan@ensiacet.fr [Centre Interuniversitaire de Recherche et d’Ingénierie des Matériaux, Université de Toulouse, 4 allée Emile Monso, 31030 Toulouse (France); Raffo, S., E-mail: simona.raffo2@unibo.it [Dipartimento di Chimica Industriale “Toso Montanari”, Università di Bologna, viale Risorgimento 4, 40136 Bologna (Italy); Bignozzi, M.C., E-mail: maria.bignozzi@unibo.it [Dipartimento di Ingegneria Civile, Chimica, Ambientale e dei Materiali, Università di Bologna, via Terracini 28, 40131 Bologna (Italy); Asensio, M.C., E-mail: maria-carmen.asensio@synchrotron-soleil.fr [Synchrotron SOLEIL, L’Orme des Merisiers, 91190 Saint-Aubin (France); Robbiola, L., E-mail: robbiola@univ-tlse2.fr [TRACES Lab (CNRS UMR5608), Université Toulouse Jean-Jaurès, 5, allées Antonio-Machado, 31058 Toulouse (France); and others

    2016-03-15

    Graphical abstract: - Highlights: • Fire-gilded bronze prepared by ancient methods (Au–Hg layer on Cu–Sn–Zn–Pb–Sb). • Heating during gilding induces Sn and Znenrichment in the top part of the gilded layer. • SR-HRPES mapping of corrosion craters (cross-section) after accelerated ageing. • Selective dissolution of Cu and Zn in the craters induces Sn species enrichment. • The main species in the craters are related to hydroxi-oxide compounds. - Abstract: Gilded bronzes are often affected by severe corrosion, due to defects in the Au layer and Au/Cu alloy galvanic coupling, stimulated by large cathodic area of the gilded layer. Galvanic corrosion, triggered by gilding defects, leads to products growth at the Au/bronze interface, inducing blistering or break-up of the Au layer. In this context, fire-gilded bronze replicas prepared by ancient methods (use of spreadable Au–Hg paste) was specifically characterised by compiling complementary spectroscopic and imaging information before/after accelerated ageing with synthetic rain. Fire-gilded bronze samples were chemically imaged in cross-section at nano-metric scale (<200 nm) using high energy and lateral resolution synchrotron radiation photoemission (HR-SRPES) of core levels and valence band after conventional characterisation of the samples by Glow Discharge optical Emission Spectroscopy (GD-OES) and conventional X-ray photoelectron spectroscopy (XPS). We have found a net surface enrichment in Zn and Sn after fire-gilding and presence of metallic Hg, Pb and Cu within the Au layer. Moreover, the composition distribution of the elements together with their oxidation has been determined. It was also revealed that metallic phases including Hg and Pb remain in the gilding after corrosion. Moreover, selective dissolution of Zn and Cu occurs in the crater due to galvanic coupling, which locally induces relative Sn species enrichment (decuprification). The feasibility advantages and disadvantages of

  7. Crystal structures and Moessbauer spectra of spin-crossover iron(III) complexes of quinquedentate ligands

    International Nuclear Information System (INIS)

    Maeda, Yonezo; Noda, Yosuke; Oshio, Hiroki; Takashima, Yoshimasa; Matsumoto, Naohide

    1994-01-01

    Magnetic properties, Moessbauer spectra and crystal structures of spin-crossover iron(III) complexes with a quinquedentate ligand [FeLX]BPh 4 are reported. X and L denote a unidentate ligand and a quinquedentate ligand, respectively. [Fe(mbpN)(im)]BPh 4 shows spin-crossover behavior in an appropriate organic solvent, and [Fe(mbpN)(lut)]BPh 4 , [Fe(bpN)(py)]BPh 4 and [Fe(salten)X]BPh 4 (X = 4me-py or 2me-im) show spin-crossover behavior in a solid and in an organic solvent. It was found that the ligand field strength of salten was stronger than that of mbpN. The rates of spin-state interexchange in the complexes are as fast as the inverse of the lifetime (1 x 10 -7 s) of the Moessbauer nuclear level. The Moessbauer spectroscopic behavior of [Fe(mbpN)(lut)]BPh 4 and [Fe(bpN)(py)]BPh 4 is different to that of [Fe(salten)X]BPh 4 (X = 4me-py or 2me-im). The difference was ascribed to the different geometrical positions of the corresponding anions. (orig.)

  8. Magnetic properties and Moessbauer analyses of glass from the K-T boundary, Beloc, Haiti

    Science.gov (United States)

    Senftle, F. E.; Thorpe, A. N.; May, L.; Barkatt, A.; Adel-Hadadi, M. A.; Marbury, G. S.; Izett, G.; Sigurdsson, H.; Maurasse, F. J.-M. R.

    1993-01-01

    The experimental magnetic susceptibility, the temperature-independent component of the magnetic susceptibility, the magnetization, and the Curie constant have been measured for a number of specimens of glass from the K-T boundary found at Beloc, Haiti, and the results are compared with those of similar measurements of tektites. Because the Fe(3+)/Fe(2+) ratio is needed to calculate the magnetic parameters, Moessbauer spectroscopic measurements were also made. The data were consistent with the classification of the Beloc glasses as tektites.

  9. Investigating Functional Extension of Optical Coherence Tomography for Spectroscopic Analysis of Blood Oxygen Saturation

    Science.gov (United States)

    Chen, Siyu

    Over the past two decades, optical coherence tomography (OCT) has been successfully applied to various fields of biomedical researching and clinical studies, including cardiology, urology, dermatology, dentistry, oncology, and most successfully, ophthalmology. This dissertation seeks to extend the current OCT practice, which is still largely morphology-based, into a new dimension, functional analysis of metabolic activities in vivo. More specifically, the investigation is focused on retrieving blood oxygen saturation (sO2) using intrinsic hemoglobin optical absorption contrast. Most mammalian cells rely on aerobic respiration to support cellular function, which means they consume oxygen to create adenosine triphosphate (ATP). Metabolic rate of oxygen (MRO2), a key hemodynamic parameter, characterizes how much oxygen is consumed during a given period of time, reflecting the metabolic activity of the target tissue. For example, retinal neurons are highly active and almost entirely rely on the moment-to-moment oxygen supply from retinal circulations. Thus, variation in MRO2 reveals the instantaneous activity of these neurons, shedding light on the physiological and pathophysiological change of cellular functions. Eventually, measuring MRO2 can potentially provide a biomarker for early-stage disease diagnosis, and serve as one benchmark for evaluating effectiveness of medical intervention during disease management. Essential in calculating MRO2, blood sO2 measurements using spectroscopic OCT analysis has been attempted as early as 2003. OCT is intrinsically sensitive to the blood optical absorption spectrum due to its wide-band illumination and detection scheme relying on back-scattered photon. However, accurate retrieval of blood sO2 using conventional near infrared (NIR) OCT systems in vivo has remained challenging. It was not until the development of OCT systems using visible light illumination (vis-OCT) when accurate measurement of blood sO2 was reported in live

  10. Investigation and measures to noise on spectroscopic measurement system in JT-60U

    International Nuclear Information System (INIS)

    Nagaya, Susumu; Kubo, Hirotaka; Sugie, Tatsuo; Onizawa, Masami; Kawai, Isao; Nakata, Hisao.

    1997-11-01

    Breakdown of a negative-ion-based neutral beam injection (N-NBI) has caused noise trouble to several systems. The control circuit of a spectroscopic measurement system had not well worked because of the noise. The noise has been measured by an optical-fiber isolation system during operation of JT-60U. The amplitude and the frequency were 15-18 V and 15 MHz respectively. The transmission noise has been reduced by putting ferrite cores to all cables connecting with the control circuits. As a result, the trouble with the spectroscopic measurement system has completely been solved. Adding condensers and resistors to the circuit was not effective to reduce the noise. (author)

  11. Spectroscopic investigation of ELM phenomena in the ASDEX-Upgrade divertor with high time resolution

    International Nuclear Information System (INIS)

    Field, A.R.; Buechl, K.; Fuchs, C.J.; Fussmann, G.; Herrmann, A.; Lieder, G.; Napiontek, B.; Radtke, R.; Wenzel, U.; Zohm, H.

    1993-01-01

    Improved tokamak H-mode confinement is associated with the formation of an insulating zone just within the separatrix. At a critical pressure gradient a sudden burst of MHD activity (an ELM) degrades edge confinement, releasing particles and energy into the scrape-off layer (SOL) which is subsequently transported to the divertor. Here, these phenomena are studied using spectroscopic diagnostics and target plate thermography of high spatial and temporal resolution. (author) 3 refs., 6 figs

  12. Spectroscopic investigation of ELM phenomena in the ASDEX-Upgrade divertor with high time resolution

    Energy Technology Data Exchange (ETDEWEB)

    Field, A R; Buechl, K; Fuchs, C J; Fussmann, G; Herrmann, A; Lieder, G; Napiontek, B; Radtke, R; Wenzel, U; Zohm, H [Max-Planck-Institut fuer Plasmaphysik, Garching (Germany)

    1994-12-31

    Improved tokamak H-mode confinement is associated with the formation of an insulating zone just within the separatrix. At a critical pressure gradient a sudden burst of MHD activity (an ELM) degrades edge confinement, releasing particles and energy into the scrape-off layer (SOL) which is subsequently transported to the divertor. Here, these phenomena are studied using spectroscopic diagnostics and target plate thermography of high spatial and temporal resolution. (author) 3 refs., 6 figs.

  13. Atomic emission spectroscopic investigations for determining depth profiles at boride layers on iron materials

    International Nuclear Information System (INIS)

    Danzer, K.; Marx, G.

    1980-01-01

    A combination of atomic emission spectroscopic surface analysis and mechanical removement of defined surface areas in layers by grinding yields information about the depth distribution of boron in iron. In addition, the evaluation with the aid of the two-dimensional variance analysis leads to statements on the homogeneous distribution within individual layers at different depth. The results obtained in this way are in agreement with those of other methods

  14. Polarized Moessbauer transitions in mixed hyperfine interactions

    International Nuclear Information System (INIS)

    Barb, D.; Tarina, D.

    1975-01-01

    A contribution to the theory of elliptical polarization in the Moessbauer effect for transitions between mixed nuclear states is reported. A relation between the two-dimensional complex vector parameterization and the photon polarization density matrix was used in describing changes in the polarization of the gamma-ray involved. (A.K.)

  15. A Moessbauer spectrometer for difficult isotopes

    International Nuclear Information System (INIS)

    Cranshaw, T.E.

    1981-06-01

    The parameters of some Moessbauer isotopes present experimental difficulties either because high velocities, low frequencies, low temperatures, or any combination of these conditions, are needed. A simple approach to easing these difficulties is described, using a mechanical resonant system and a phase locked loop. (author)

  16. Moessbauer Studies in Chinese Archaeology: A Review

    International Nuclear Information System (INIS)

    Hsia Yuanfu; Huang Hongbo

    2003-01-01

    The Moessbauer effect has been applied to a wide variety of objects related to Chinese archaeology. Besides ceramic artifacts, materials like porcelain, glazes, bronzes, ancient coins, ancient mineral drugs, and even fossils were studied. This article reviews these applications with particular emphasis on the study of the famous terracotta warriors and horses of the Qin Dynasty.

  17. Absorber transmissivities in 57Fe Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Ballet, O.

    1985-01-01

    Some useful relations are derived for the polarization dependent optical index of 57 Fe Moessbauer absorbers. Real rotation matrices are extensively used and, besides wave-direction dependence, their properties simplify also the treatment of texture and f-anisotropy. The derivation of absorber transmissivities from the optical index is discussed with a special emphasis on line overlapping. (Auth.)

  18. Moessbauer Studies in Chinese Archaeology: A Review

    Energy Technology Data Exchange (ETDEWEB)

    Hsia Yuanfu; Huang Hongbo [Nanjing University, Department of Physics (China)

    2003-09-15

    The Moessbauer effect has been applied to a wide variety of objects related to Chinese archaeology. Besides ceramic artifacts, materials like porcelain, glazes, bronzes, ancient coins, ancient mineral drugs, and even fossils were studied. This article reviews these applications with particular emphasis on the study of the famous terracotta warriors and horses of the Qin Dynasty.

  19. Magnetic and Moessbauer Studies of Quaternary Argentine Loessic Soils and Paleosols

    International Nuclear Information System (INIS)

    Mercader, R. C.; Sives, F. R.; Imbellone, P. A.; Vandenberghe, R. E.

    2005-01-01

    This paper is a review of the current status about the remaining problems that are found in the investigation of the Quaternary Argentine soils and loessic sediments, and the way that Moessbauer studies can assist in solving them. There are two main types of investigations that make use of the magnetic response of the samples to correlate them with information gathered by other methods. On the one hand, there is the stratigraphic and chronological research, which is of importance from the geological and paleontological points of view. On the other hand, the paleoclimatic records, of significance toward a possible model of the past climate, are also studied because of their close relation to the sediments history. However, there is not yet a model that can tell the difference between the modifications due to the climatic conditions at the time when the soils were buried from processes that occurred after burial. Some examples are given that show that Moessbauer studies can be applied with a certain degree of success when cross-checked with magnetic measurements toward understanding the processes that occurred in alluvial B (paleosols) and C horizons (loess) from the eastern part of Buenos Aires Province. Although the application of Moessbauer studies to hydromorphic processes in soils is not straightforward, there are cases in which Moessbauer spectroscopy, if applied properly and correlated with other techniques, is able to characterize the type of iron oxides existing in the materials and thus assist theories about its origin and history.

  20. Magnetic and Moessbauer Studies of Quaternary Argentine Loessic Soils and Paleosols

    Energy Technology Data Exchange (ETDEWEB)

    Mercader, R. C., E-mail: mercader@fisica.unlp.edu.ar; Sives, F. R. [Universidad Nacional de La Plata, Departamento de Fisica, IFLP, Facultad de Ciencias Exactas (Argentina); Imbellone, P. A. [Universidad Nacional de La Plata, Instituto de Geomorfologia y Suelos (Argentina); Vandenberghe, R. E. [Ghent University, NUMAT, Department of Subatomic and Radiation Physics (Belgium)

    2005-02-15

    This paper is a review of the current status about the remaining problems that are found in the investigation of the Quaternary Argentine soils and loessic sediments, and the way that Moessbauer studies can assist in solving them. There are two main types of investigations that make use of the magnetic response of the samples to correlate them with information gathered by other methods. On the one hand, there is the stratigraphic and chronological research, which is of importance from the geological and paleontological points of view. On the other hand, the paleoclimatic records, of significance toward a possible model of the past climate, are also studied because of their close relation to the sediments history. However, there is not yet a model that can tell the difference between the modifications due to the climatic conditions at the time when the soils were buried from processes that occurred after burial. Some examples are given that show that Moessbauer studies can be applied with a certain degree of success when cross-checked with magnetic measurements toward understanding the processes that occurred in alluvial B (paleosols) and C horizons (loess) from the eastern part of Buenos Aires Province. Although the application of Moessbauer studies to hydromorphic processes in soils is not straightforward, there are cases in which Moessbauer spectroscopy, if applied properly and correlated with other techniques, is able to characterize the type of iron oxides existing in the materials and thus assist theories about its origin and history.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-03-10

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

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  3. A spectroscopic and catalytic investigation of active phase-support interactions

    Energy Technology Data Exchange (ETDEWEB)

    Haller, G.L.

    1991-01-01

    Active catalytic phases (metal, mixed metals, oxide or mixed oxides) interacting with oxide support on which the active phase is dispersed can affect the percentage exposed, the morphology of supported particles, the degree of reducibility of cations, etc., in a variety of ways. Our objective is to characterize the physical chemistry of the active phase-oxide support by spectroscopic methods and to correlate this structure with catalytic function. The three systems discussed in this progress report are Ag/TiO{sub 2}, Ru-Cu/SiO{sub 2} and SiO{sub 2}/Al{sub 2}O{sub 3}. 24 refs., 3 figs., 2 tabs.

  4. Moessbauer and channeling experiments on TeSi and SmSi

    International Nuclear Information System (INIS)

    Kemerink, G.J.; Boerma, D.O.; Waard, H. de; Wit, J.C. de; Drentje, S.A.

    1980-01-01

    Considerable effort is made to obtain an insight in the structural and electronic properties of ion implanted elemental semiconductors. This research is strongly stimulated by the many applications of semi-conductor devices. We report here on Moessbauer studies of 129 TeSi and 153 SmSi, using the 27.8 keV transition in 129 I and the 103.2 keV transition in 153 Eu, respectively, and on channeling experiments on 128 TeSi and 152 SmSi with a 2 MeV α-beam from the Groningen Van de Graaff generator. In the Moessbauer experiments we used Cu 129 I and EuF 3 .1/2H 2 O as absorber materials. Source and absorber were held at 4.2 K. The implantations were generally done at room temperature with an implantation energy of 100-115 keV. For the Moessbauer and channeling measurements we applied similar Si single crystals and the same implantation and annealing conditions. Crystals with low doses could only be investigated with the Moessbauer effect

  5. In-situ Moessbauer spectroscopy with MIMOS II

    Energy Technology Data Exchange (ETDEWEB)

    Fleischer, Iris, E-mail: fleischi@uni-mainz.de; Klingelhoefer, Goestar [Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg University of Mainz (Germany); Morris, Richard V. [NASA Johnson Space Center (United States); Schroeder, Christian [University of Bayreuth and University of Tuebingen (Germany); Rodionov, Daniel [Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg University of Mainz (Germany); Souza, Paulo A. de [Tasmanian ICT Centre (Australia); Collaboration: MIMOS II Team

    2012-03-15

    The miniaturized Moessbauer spectrometer MIMOS II was developed for the exploration of planetary surfaces. Two MIMOS II instruments were successfully deployed on the martian surface as payload elements of the NASA Mars Exploration Rover (MER) mission and have returned data since landing in January 2004. Moessbauer spectroscopy has made significant contributions to the success of the MER mission, in particular identification of iron-bearing minerals formed through aqueous weathering processes. As a field-portable instrument and with backscattering geometry, MIMOS II provides an opportunity for non-destructive in-situ investigations for a range of applications. For example, the instrument has been used for analyses of archaeological artifacts, for air pollution studies and for in-field monitoring of green rust formation. A MER-type MIMOS II instrument is part of the payload of the Russian Phobos-Grunt mission, scheduled for launch in November 2011, with the aim of exploring the composition of the martian moon Phobos. An advanced version of the instrument, MIMOS IIA, that incorporates capability for elemental analyses, is currently under development.

  6. A Spectroscopic and Electrochemical Investigation of Interactions of Anticancer Uracil Derivatives with Cationic and Anionic Surfactants

    International Nuclear Information System (INIS)

    Zafar, F.; Shah, A.; Ahmad, Z.; Siddiq, M.; Ali, S.; Asad Muhammad Khan, A. M.; Rana, U. A.

    2015-01-01

    Interactions of 5-fluorouracil (5-FU), a commercially available anti-cancer drug and two other possibly anti-cancer actives, 2-thiouracil (2-TU) and 2,4-dithiouracil (DTU), with anionic sodium dodecyl sulphate (SDS) and cationic cetlytrimethyl ammonium bromide (CTAB) surfactants were studied using cyclic voltammetry and UV-Visible spectroscopic techniques. The results from both techniques asserted the formation of complex between the drugs and surfactants. In the pre-micellar concentrations, the binding was mainly due to the interactions between the surfactants monomers (electrostatic) and the drug molecules, while in the post-micellar region, drug was encapsulated within the micelle due to electrostatic as well as hydrophobic interactions. The UV-Visible spectroscopic data of the interaction between 5-fluorouracil and the surfactants exhibited an isobestic point which indicated the presence of equilibrium species in bulk and the micellar phase. Binding constant, partition coefficient between bulk and miceller phase, and the number of drug molecules incorporated per micelle were calculated. (author)

  7. Argon plasma jet continuum emission investigation by using different spectroscopic methods

    International Nuclear Information System (INIS)

    Dgheim, J

    2007-01-01

    Radiation and temperature fields of the continuum field are determined by using different spectroscopic methods based on the spectral emission of an argon plasma jet. An interferential filter of bandwidth 2.714 nm centred at a wavelength of 633 nm is used to observe only the continuum emission and to eliminate the self-absorption phenomenon. An optical multichannel analyser (OMA) of an MOS detector is used to measure argon plasma jet volumetric emissivity under atmospheric pressure and high temperatures. An emission spectroscopic method is used to measure the Stark broadening of the hydrogen line H β and to determine the electron density. The local thermodynamic equilibrium is established and its limit is stated. The local electron temperature is determined by two methods (the continuum emission relation and the LTE relations), and the total Biberman factor is measured. The results given by the OMA are compared with those given by the imagery method. At a given wavelength, the Biberman factor, which depends on the electron temperature and the electron density, may serve as an indicator to show where the LTE prevails along the argon plasma jet core length

  8. Moessbauer and muon spin relaxation investigation of magnetic and superconducting properties of Ca{sub 1-x}Na{sub x}Fe{sub 2}As{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Materne, Philipp; Bubel, Sirko; Maeter, Hemke; Sarkar, Rajib; Klauss, Hans-Henning [Institut fuer Festkoerperphysik, Technische Universitaet Dresden, 01062 Dresden (Germany); Harnagea, Luminita; Wurmehl, Sabine; Buechner, Bernd [IFW Dresden, Postfach 270016, 01171 Dresden (Germany); Luetkens, Hubertus [Paul-Scherrer-Institut, 5232 Villigen (Switzerland)

    2013-07-01

    The antiferromagnetic parent compound, CaFe{sub 2}As{sub 2}, shows a supression of the spin density wave and a subsequent superconducting state upon partial substitution of Ca by Na. Along the substitution series, superconducting transition temperatures up to ∼35 K were found. We studied the electronic phase diagram of Ca{sub 1-x}Na{sub x}Fe{sub 2}As{sub 2} using Moessbauer spectroscopy and muon spin relaxation experiments. We have analyzed the data in terms of magnetic and superconducting properties and possible coexistence of superconductivity and spin density wave order. We compared our results with recently published data of Ba{sub 1-x}Na{sub x}Fe{sub 2}As{sub 2}.

  9. Theory of Moessbauer line broadening due to diffusion

    International Nuclear Information System (INIS)

    Schroeder, K.; Wolf, D.; Dederichs, P.H.

    1981-12-01

    We have calculated the line broadening of the Moessbauer line due to diffusion of Moessbauer atoms via single vacanices. We take into account the perturbation of vacancy jumps in the neighbourhood of an impurity Moessbauer atom (e.g. Fe in Al) using the 5-frequency model. The anisotropy of the line width is given by the Fourier transform of the final distribution of a Moessbauer atom after an encounter with a vacancy. This distribution is calculated by Monte Carlo computer simulation. 3 figures, 1 tables

  10. Mg-doped hydroxyapatite nanoplates for biomedical applications: A surfactant assisted microwave synthesis and spectroscopic investigations

    International Nuclear Information System (INIS)

    Mishra, Vijay Kumar; Bhattacharjee, Birendra Nath; Parkash, Om; Kumar, Devendra; Rai, Shyam Bahadur

    2014-01-01

    Highlights: • Microwave irradiation technique: employed for the synthesis of Mg-HAp nanoplates. • Surfactant (EDTA) assisted synthesis of Mg-HAp. • FT-IR and Raman analysis of functional groups of Mg-HAp. - Abstract: Nanoplates of Mg doped hydroxyapatite (Mg-HAp) were derived successfully and rapidly via microwave irradiation technique. Hydroxyapatite (HAp) is the hard tissues and main inorganic component in mammals. Different nanostructures of HAp exist in different parts of human bone but nanorods are very common due to its intrinsic nature to grow in rode-like structure under physiological as well as under applied ambient conditions in laboratory. On the addition of Mg at very low level (0.06 mol%) in pure HAp results the formation of 2-D plate-like nanostructures rather than rod-like which is the matter of interest. In this attempt our efforts have been focused on the study of effect of Mg incorporation on structural and spectroscopic properties of HAp prepared via microwave irradiation technique. This technique is preferred due to several advantages viz. very fast as well as homogeneous heating, time/energy saving and eco-friendliness. The calcium nitrate tetrahydrate (Ca(NO 3 ) 2 ⋅4H 2 O)) as a source of calcium, magnesium nitrate hexahydrate (Mg(NO 3 ) 2 ⋅6H 2 O) as a source of magnesium, disodium hydrogen phosphate dihydrate (NaH 2 PO 4 ⋅2H 2 O) as a source of phosphorous and sodium ethylene diamine tetra acetate (NaEDTA) as a surfactant were used as starting reagents. Sodium hydroxide (NaOH) pellets were employed to adjust the pH value of final solution. The solution of fixed pH value was kept into the microwave oven generating waves of frequency 2.45 GHz (water absorption frequency) and power 750 W for 8 min. The precipitate thus obtained was washed, centrifuged and then dried at 100 °C for 2 h. Dried powder was then calcined at 700 °C for 2 h. The bright white powder thus obtained was characterized structurally using X-ray diffraction and

  11. Mg-doped hydroxyapatite nanoplates for biomedical applications: A surfactant assisted microwave synthesis and spectroscopic investigations

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, Vijay Kumar [Department of Physics, Faculty of Science, Banaras Hindu University, Varanasi 221005 (India); Bhattacharjee, Birendra Nath; Parkash, Om [Department of Ceramic Engineering, Indian Institute of Technology, Banaras Hindu University, Varanasi 221005 (India); Kumar, Devendra, E-mail: devendra.cer@iitbhu.ac.in [Department of Ceramic Engineering, Indian Institute of Technology, Banaras Hindu University, Varanasi 221005 (India); Rai, Shyam Bahadur, E-mail: sbrai49@yahoo.co.in [Department of Physics, Faculty of Science, Banaras Hindu University, Varanasi 221005 (India)

    2014-11-25

    Highlights: • Microwave irradiation technique: employed for the synthesis of Mg-HAp nanoplates. • Surfactant (EDTA) assisted synthesis of Mg-HAp. • FT-IR and Raman analysis of functional groups of Mg-HAp. - Abstract: Nanoplates of Mg doped hydroxyapatite (Mg-HAp) were derived successfully and rapidly via microwave irradiation technique. Hydroxyapatite (HAp) is the hard tissues and main inorganic component in mammals. Different nanostructures of HAp exist in different parts of human bone but nanorods are very common due to its intrinsic nature to grow in rode-like structure under physiological as well as under applied ambient conditions in laboratory. On the addition of Mg at very low level (0.06 mol%) in pure HAp results the formation of 2-D plate-like nanostructures rather than rod-like which is the matter of interest. In this attempt our efforts have been focused on the study of effect of Mg incorporation on structural and spectroscopic properties of HAp prepared via microwave irradiation technique. This technique is preferred due to several advantages viz. very fast as well as homogeneous heating, time/energy saving and eco-friendliness. The calcium nitrate tetrahydrate (Ca(NO{sub 3}){sub 2}⋅4H{sub 2}O)) as a source of calcium, magnesium nitrate hexahydrate (Mg(NO{sub 3}){sub 2}⋅6H{sub 2}O) as a source of magnesium, disodium hydrogen phosphate dihydrate (NaH{sub 2}PO{sub 4}⋅2H{sub 2}O) as a source of phosphorous and sodium ethylene diamine tetra acetate (NaEDTA) as a surfactant were used as starting reagents. Sodium hydroxide (NaOH) pellets were employed to adjust the pH value of final solution. The solution of fixed pH value was kept into the microwave oven generating waves of frequency 2.45 GHz (water absorption frequency) and power 750 W for 8 min. The precipitate thus obtained was washed, centrifuged and then dried at 100 °C for 2 h. Dried powder was then calcined at 700 °C for 2 h. The bright white powder thus obtained was characterized

  12. Raman and terahertz spectroscopical investigation of cocrystal formation process of piracetam and 3-hydroxybenzoic acid

    Science.gov (United States)

    Du, Yong; Zhang, Huili; Xue, Jiadan; Fang, Hongxia; Zhang, Qi; Xia, Yi; Li, Yafang; Hong, Zhi

    2015-03-01

    Cocrystallization can improve physical and chemical properties of active pharmaceutical ingredient, and this feature has great potential in pharmaceutical development. In this study, the cocrystal of piracetam and 3-hydroxybenzoic acid under grinding condition has been characterized by Raman and terahertz spectroscopical techniques. The major vibrational modes of individual starting components and cocrystal are obtained and assigned. Spectral results show that the vibrational modes of the cocrystal are different from those of the corresponding parent materials. The dynamic process of such pharmaceutical cocrystal formation has also been monitored directly with Raman and THz spectra. The formation rate is pretty fast in first several 20 min grinding time, and then it becomes slow. After ∼35 min, such process has been almost completed. These results offer us the unique means and benchmark for characterizing the cocrystal conformation from molecule-level and also provide us rich information about the reaction dynamic during cocrystal formation process in pharmaceutical fields.

  13. Theoretical Investigation of OCN(-) Charge Transfer Complexes in Condensed Phase Media: Spectroscopic Properties in Amorphous Ice

    Science.gov (United States)

    Park, Jin-Young; Woon, David E.

    2004-01-01

    Density functional theory (DFT) calculations of cyanate (OCN(-)) charge-transfer complexes were performed to model the "XCN" feature observed in interstellar icy grain mantles. OCN(-) charge-transfer complexes were formed from precursor combinations of HNCO or HOCN with either NH3 or H2O. Three different solvation strategies for realistically modeling the ice matrix environment were explored, including (1) continuum solvation, (2) pure DFT cluster calculations, and (3) an ONIOM DFT/PM3 cluster calculation. The model complexes were evaluated by their ability to reproduce seven spectroscopic measurements associated with XCN: the band origin of the OCN(-) asymmetric stretching mode, shifts in that frequency due to isotopic substitutions of C, N, O, and H, plus two weak features. The continuum solvent field method produced results consistent with some of the experimental data but failed to account for other behavior due to its limited capacity to describe molecular interactions with solvent. DFT cluster calculations successfully reproduced the available spectroscopic measurements very well. In particular, the deuterium shift showed excellent agreement in complexes where OCN(-) was fully solvated. Detailed studies of representative complexes including from two to twelve water molecules allowed the exploration of various possible solvation structures and provided insights into solvation trends. Moreover, complexes arising from cyanic or isocyanic acid in pure water suggested an alternative mechanism for the formation of OCN(-) charge-transfer complexes without the need for a strong base such as NH3 to be present. An extended ONIOM (B3LYP/PM3) cluster calculation was also performed to assess the impact of a more realistic environment on HNCO dissociation in pure water.

  14. Moessbauer spectrometric data acquisition based on FPGA

    International Nuclear Information System (INIS)

    Zhang Yuan; Li Shimin; Chen Nan; Zhu Jingbo; Xia Yuanfu

    2008-01-01

    FPGA(Field Programmable Gate Array) is a programmable device with strong logical function and timing control ability. It is extremely potent in acquiring and processing timing signals. By replacing the traditional used SCM (Single-Chip Microcomputer) with FPGA, counting speed of Moessbauer spectrometric data acquisition can be improved markedly with significantly decreased size of the spectrometer. The counter, RAM and RS-232 communication of the module are developed on Altera Cyclone series chip EP1C6T144C8 with Quartus II. EP1C6T144C8 has 5980 logical units accompanied by 92160 bits of memory space. It is so powerful that all needs in data acquisition of the Moessbauer spectrometer can be perfectly satisfied while allowing modifications in functions and parameters. (authors)

  15. Fourier evaluation of broad Moessbauer spectra

    International Nuclear Information System (INIS)

    Vincze, I.

    1981-01-01

    It is shown by the Fourier analysis of broad Moessbauer spectra that the even part of the distribution of the dominant hyperfine interaction (hyperfine field or quadrupole splitting) can be obtained directly without using least-square fitting procedures. Also the odd part of this distribution correlated with other hyperfine parameters (e.g. isomer shift) can be directly determined. Examples for amorphous magnetic and paramagnetic iron-based alloys are presented. (author)

  16. Fourier evaluation of broad Moessbauer spectra

    International Nuclear Information System (INIS)

    Vincze, I.

    1981-09-01

    It is shown by the Fourier analysis of broad Moessbauer spectra that the even part of the distribution of the dominant hyperfine interaction (hyperfine field or quadrupole splitting) can be obtained directly without using least-square fitting procedures. Also the odd part of this distribution correlated with other hyperfine parameters (e.g. isomer shift) can be directly determined. Examples covering the case of amorphous magnetic and paramagnetic iron-based alloys are presented. (author)

  17. Ghost lines in Moessbauer relaxation spectra

    International Nuclear Information System (INIS)

    Price, D.C.

    1985-01-01

    The appearance in Moessbauer relaxation spectra of 'ghost' lines, which are narrow lines that do not correspond to transitions between real hyperfine energy levels of the resonant system, is examined. It is shown that in many cases of interest, the appearance of these 'ghost' lines can be interpreted in terms of the relaxational averaging of one or more of the static interactions of the ion. (orig.)

  18. Fast-response personal Moessbauer spectrometer

    International Nuclear Information System (INIS)

    Kholmetskij, A.L.; Mashlan, M.; Misevich, O.V.; Evdokimov, V.A.; Lopatik, A.R.; Zhak, D.; Fedorov, A.A.; Snashel, V.

    1995-01-01

    Spectrometer design to record transmission Moessbauer spectra is described. The spectrometer consists of PC/AT computer with 1 mb memory and 40 mb hard disk, of EPSON LX 850 printer, of color monitor with VGA graphical adapter, of data accumulation system, of speed generator, of motion system with minivibrator, of scintillation detector with YA10 3 :Ce scintillator, of single-channel amplitude analyzer, of measuring bench and of 57 Co(Rh) source. 1 ref.; 1 fig

  19. Recent Developments in Synchrotron Moessbauer Reflectometry

    Energy Technology Data Exchange (ETDEWEB)

    Deak, L.; Bottyan, L.; Major, M.; Nagy, D. L. [KFKI Research Institute for Particle and Nuclear Physics (Hungary); Spiering, H. [Johannes Gutenberg Universitaet, Mainz, Institute fuer Anorganische und Analytische Chemie (Germany); Szilagyi, E.; Tancziko, F. [KFKI Research Institute for Particle and Nuclear Physics (Hungary)

    2002-12-15

    Synchrotron Moessbauer Reflectometry (SMR), the grazing incidence nuclear resonant scattering of synchrotron radiation, can be applied to perform depth-selective phase analysis and to determine the isotopic and magnetic structure of thin films and multilayers. Principles and methodological aspects of SMR are briefly reviewed. Off-specular SMR provides information from the lateral structure of multilayers. In anti-ferromagneticly coupled systems the size of magnetic domains can be measured.

  20. Detectability in a derivative Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Yoshimura, Takeaki; Miyamoto, Masashi; Wakabayashi, Nobuo

    1978-01-01

    In Moessbauer spectrometry, a criterion for detecting a faint peak under the condition that the peak is superimposed onto a tail of a large and broad peak is discussed. By adopting a derivative method, it is found that the criterion is improved in comparison with a usual method, and that the condition for determining the modulation amplitude W/2 is 1.5 GAMMA 1 1 where GAMMA 1 is the spectral linewidth of the faint peak. (auth.)

  1. Application of Moessbauer spectroscopy to study corrosion

    International Nuclear Information System (INIS)

    Ramshesh, V.; Ravichandran, K.; Venkateswarlu, K.S.

    1976-01-01

    The system components in a nuclear power station include steel, stainless steel and various alloys such as Monel, Inconel, Stellite etc. Usually water/heavy water used as the coolant flows at high temperatures and pressures. Under such conditions the interaction of system components with the coolant produces a host of corrosion products. The deposition of such products is essential. This report attempts to review the salient features of identification of such corrosion products using Moessbauer spectroscopy. (author)

  2. Moessbauer study of El-Bahrain meteorite

    International Nuclear Information System (INIS)

    Bahgat, A.A.; Ahmed, M.A.; Ramadan, T.M.

    2000-01-01

    A stone of brick-like shape, measuring roughly 25 x 12.5 x 10.5 cm 3 and weighing 14 kg was found in 1983, in the western desert of Egypt. The meteorite was named El-Bahrain meteorite and classified as L-chondrite. Principal constituents of El-Bahrain meteorite have been studied by means of Moessbauer spectroscopy. The chemical composition as obtained by the conventional wet analyses of L-chondritic meteorites showed that the meteorite contains 23,38% Fe and 1.23% Ni. While the analysis of the atomic absorption showed the presence of 27.03% as a total iron. The Moessbauer analysis of El-Bahrain meteorite showed that the iron constituent minerals were determined to be olivine, metallic iron-nickel alloys (kamacite, taenite and tetrataenite), ferrous sulfide (troilite) and weathering products such as maghemite and nanocrystalline hematite. The structure of meteoritic iron obtained by the Moessbauer analysis has been discussed on the basis of these constituents. (author)

  3. Thermal, structural and spectroscopic investigations on Eu{sup 3+} doped boro-tellurite glasses

    Energy Technology Data Exchange (ETDEWEB)

    Selvaraju, K. [Department of Physics, Gandhigram Rural University, Gandhigram 624 302 (India); Marimuthu, K., E-mail: mari_ram2000@yahoo.com [Department of Physics, Gandhigram Rural University, Gandhigram 624 302 (India); Seshagiri, T.K.; Godbole, S.V. [Radiochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India)

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer Fundamental O-H, (BO{sub 3}){sup -} vibrations and B-O-B linkages in borate network explored. Black-Right-Pointing-Pointer The covalent nature of the Eu{sup 3+} ions with surrounding ligands have been confirmed. Black-Right-Pointing-Pointer B3TMK glass is found to be the best optical candidate for laser working at 612 nm. - Abstract: Eu{sup 3+} doped boro-tellurite glasses with the chemical composition (69 - x)B{sub 2}O{sub 3}-xTeO{sub 2}-15Mg{sub 2}O-15K{sub 2}O-1Eu{sub 2}O{sub 3} (where x = 0, 10, 20, 30 and 40 wt%) have been synthesized and its thermal, structural and spectroscopic behavior were studied and reported. The thermal behavior of the Eu{sup 3+} doped boro-tellurite glasses were explored through DTA thermograms. The presence of varying tellurium dioxide results in structural and spectroscopic changes around Eu{sup 3+} ions and are explored through XRD, FTIR, UV-vis, Luminescence and lifetime measurements. The XRD pattern confirms the amorphous nature and the FTIR spectra reveal the formation of the local structural units BO{sub 3} and BO{sub 4} in the prepared glasses. The bonding parameters (-bar {beta} and {delta}) have been calculated based on the observed band positions of the absorption spectra. The Judd-Ofelt (JO) parameters were determined from the absorption and luminescence spectra and the results are presented. The variation in the JO intensity parameters {Omega}{sub {lambda}} ({lambda} = 2, 4 and 6) and the hypersensitive band positions with the change in chemical composition have been discussed in detail. The JO parameters have been used to derive important radiative properties like transition probabilities (A), branching ratios ({beta}{sub R}) and peak stimulated emission cross section ({sigma}E/P) for the {sup 5}D{sub 0} {yields} {sup 7}F{sub J} (J = 1, 2, 3 and 4) transitions of the Eu{sup 3+} ions. The varying optical properties of the prepared glasses with the change in tellurium dioxide have

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-06-15

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

  5. Spectroscopic investigations on the interaction of thioacetamide with ZnO quantum dots and application for its fluorescence sensing.

    Science.gov (United States)

    Saha, Dipika; Negi, Devendra P S

    2018-01-15

    The purpose of the present work was to develop a method for the sensing of thioacetamide by using spectroscopic techniques. Thioacetamide is a carcinogen and it is important to detect its presence in food-stuffs. Semiconductor quantum dots are frequently employed as sensing probes since their absorption and fluorescence properties are highly sensitive to the interaction with substrates present in the solution. In the present work, the interaction between thioacetamide and ZnO quantum dots has been investigated by using UV-visible, fluorescence and infrared spectroscopy. Besides, dynamic light scattering (DLS) has also been utilized for the interaction studies. UV-visible absorption studies indicated the bonding of the lone pair of sulphur atom of thioacetamide with the surface of the semiconductor. The fluorescence band of the ZnO quantum dots was found to be quenched in the presence of micromolar concentrations of thioacetamide. The quenching was found to follow the Stern-Volmer relationship. The Stern-Volmer constant was evaluated to be 1.20×10 5 M -1 . Infrared spectroscopic measurements indicated the participation of the NH 2 group and the sulphur atom of thioacetamide in bonding with the surface of the ZnO quantum dots. DLS measurements indicated that the surface charge of the semiconductor was shielded by the thioacetamide molecules. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations

    Science.gov (United States)

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

    2018-04-01

    Solvent-free synthesis pathway for obtaining two imidazole derivatives (2-chloro-1-(4-methoxyphenyl)-4,5-dimethyl-1H-imidazole (CLMPDI) and 1-(4-bromophenyl)-2-chloro-4,5-dimethyl-1H-imidazole (BPCLDI) has been reported in this work, followed by detailed experimental and computational spectroscopic characterization and reactivity study. Spectroscopic methods encompassed IR, FT-Raman and NMR techniques, with the mutual comparison of experimentally and computationally obtained results at DFT/B3LYP level of theory. Reactivity study based on DFT calculations encompassed molecular orbitals analysis, followed by calculations of molecular electrostatic potential (MEP) and average local ionization energy (ALIE) values, Fukui functions and bond dissociation energies (BDE). Additionally, the stability of title molecules in water has been investigated via molecular dynamics (MD) simulations, while interactivity with aspulvinonedimethylallyl transferase protein has been evaluated by molecular docking procedure. CLMPDI compound showed antimicrobial activity against all four bacterial strain in both gram positive and gram negative bacteria while, BPCLDI showed only in gram positive bacteria, Staphylococcus Aureus (MTCC1144). The first order hyperpolarizability of CLMPDI and BPCLDI are 20.15 and 6.10 times that of the standard NLO material urea.

  7. Spectroscopic investigations on the interaction of thioacetamide with ZnO quantum dots and application for its fluorescence sensing

    Science.gov (United States)

    Saha, Dipika; Negi, Devendra P. S.

    2018-01-01

    The purpose of the present work was to develop a method for the sensing of thioacetamide by using spectroscopic techniques. Thioacetamide is a carcinogen and it is important to detect its presence in food-stuffs. Semiconductor quantum dots are frequently employed as sensing probes since their absorption and fluorescence properties are highly sensitive to the interaction with substrates present in the solution. In the present work, the interaction between thioacetamide and ZnO quantum dots has been investigated by using UV-visible, fluorescence and infrared spectroscopy. Besides, dynamic light scattering (DLS) has also been utilized for the interaction studies. UV-visible absorption studies indicated the bonding of the lone pair of sulphur atom of thioacetamide with the surface of the semiconductor. The fluorescence band of the ZnO quantum dots was found to be quenched in the presence of micromolar concentrations of thioacetamide. The quenching was found to follow the Stern-Volmer relationship. The Stern-Volmer constant was evaluated to be 1.20 × 105 M- 1. Infrared spectroscopic measurements indicated the participation of the sbnd NH2 group and the sulphur atom of thioacetamide in bonding with the surface of the ZnO quantum dots. DLS measurements indicated that the surface charge of the semiconductor was shielded by the thioacetamide molecules.

  8. Investigation into structure and dehydration dynamic of gallic acid monohydrate: A Raman spectroscopic study.

    Science.gov (United States)

    Cai, Qiang; Xue, Jiadan; Wang, Qiqi; Du, Yong

    2018-05-02

    The dehydration process of gallic acid monohydrate was carried out by heating method and characterized using Raman spectroscopic technique. Density functional theory calculation with B3LYP function is applied to simulate optimized structures and vibrational frequencies of anhydrous gallic acid and its corresponding monohydrated form. Different vibrational modes are assigned by comparison between experimental and theoretical Raman spectra of above two polymorphs. Raman spectra show that vibrational modes of the monohydrate are distinctively different from those of anhydrous one. Meanwhile, the dynamic information about dehydration process of gallic acid monohydrate could also be observed and monitored directly with the help of Raman spectral analysis. The decay rate of the characteristic band from gallic acid monohydrate and the growth rate of anhydrous one are pretty consistent with each other. It indicates that there is no intermediate present during the dehydration process of gallic acid monohydrate. The results could offer us benchmark works for identifying both anhydrous and hydrated pharmaceutical compounds, characterizing their corresponding molecular conformation within various crystalline forms, and also providing useful information about the process of dehydration dynamic at the microscopic molecular level. Copyright © 2018 Elsevier B.V. All rights reserved.

  9. Qualitative and quantitative changes in phospholipids and proteins investigated by spectroscopic techniques in animal depression model

    Science.gov (United States)

    Depciuch, J.; Sowa-Kucma, M.; Nowak, G.; Papp, M.; Gruca, P.; Misztak, P.; Parlinska-Wojtan, M.

    2017-04-01

    Depression becomes nowadays a high mortality civilization disease with one of the major causes being chronic stress. Raman, Fourier Transform Infra Red (FTIR) and Ultraviolet-Visible (UV-vis) spectroscopies were used to determine the changes in the quantity and structure of phospholipids and proteins in the blood serum of rats subjected to chronic mild stress, which is a common animal depression model. Moreover, the efficiency of the imipramine treatment was evaluated. It was found that chronic mild stress not only damages the structure of the phospholipids and proteins, but also decreases their level in the blood serum. A 5 weeks imipramine treatment did increase slightly the quantity of proteins, leaving the damaged phospholipids unchanged. Structural information from phospholipids and proteins was obtained by UV-vis spectroscopy combined with the second derivative of the FTIR spectra. Indeed, the structure of proteins in blood serum of stressed rats was normalized after imipramine therapy, while the impaired structure of phospholipids remained unaffected. These findings strongly suggest that the depression factor, which is chronic mild stress, may induce permanent (irreversible) damages into the phospholipid structure identified as shortened carbon chains. This study shows a possible new application of spectroscopic techniques in the diagnosis and therapy monitoring of depression.

  10. The investigation of the interaction between edaravone and bovine serum albumin by spectroscopic approaches

    International Nuclear Information System (INIS)

    Yu Xianyong; Yang Ying; Liu Ronghua; Huang Haowen; Chen Jian; Ji Danhong; Li Xiaofang; Yang Fengxian; Yi Pinggui

    2011-01-01

    The fluorescence and ultraviolet spectroscopies were explored to study the interaction between edaravone (EDA) and bovine serum albumin (BSA) under imitated physiological condition. The experimental results show that the fluorescence quenching mechanism between EDA and BSA is a combined quenching (dynamic and static quenching). The binding constants, binding sites, and the corresponding thermodynamic parameters (ΔG, ΔH, and ΔS) of the interaction system were calculated at different temperatures. According to Foerster non-radiation energy transfer theory, the binding distance between EDA and BSA was calculated to be 3.10 nm. The effect of EDA on the conformation of BSA was analyzed using synchronous fluorescence spectroscopy. In addition, the effects of some common metal ions Mg 2+ , Ca 2+ , Cu 2+ , and Ni 2+ on the binding constant between EDA and BSA were examined. - Highlights: → We explored the interaction of BSA and EDA using spectroscopic methods. → The fluorescence quenching mechanism is combined quenching. → Hydrophobic interaction force plays a major role in stabilizing the complex. → The binding constants, binding sites, and thermodynamic parameters were calculated. → EDA affects the conformation of tryptophan residue's microregion.

  11. The investigation of the interaction between edaravone and bovine serum albumin by spectroscopic approaches

    Energy Technology Data Exchange (ETDEWEB)

    Xianyong, Yu; Ying, Yang; Ronghua, Liu; Haowen, Huang; Jian, Chen; Danhong, Ji [Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan Province College Key Laboratory of QSAR/QSPR, School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201 (China); Li Xiaofang, E-mail: fine_chem@163.co [Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan Province College Key Laboratory of QSAR/QSPR, School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201 (China); Fengxian, Yang [Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan Province College Key Laboratory of QSAR/QSPR, School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201 (China); Yi Pinggui, E-mail: pgyi@hnust.c [Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan Province College Key Laboratory of QSAR/QSPR, School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201 (China)

    2011-07-15

    The fluorescence and ultraviolet spectroscopies were explored to study the interaction between edaravone (EDA) and bovine serum albumin (BSA) under imitated physiological condition. The experimental results show that the fluorescence quenching mechanism between EDA and BSA is a combined quenching (dynamic and static quenching). The binding constants, binding sites, and the corresponding thermodynamic parameters ({Delta}G, {Delta}H, and {Delta}S) of the interaction system were calculated at different temperatures. According to Foerster non-radiation energy transfer theory, the binding distance between EDA and BSA was calculated to be 3.10 nm. The effect of EDA on the conformation of BSA was analyzed using synchronous fluorescence spectroscopy. In addition, the effects of some common metal ions Mg{sup 2+}, Ca{sup 2+}, Cu{sup 2+}, and Ni{sup 2+} on the binding constant between EDA and BSA were examined. - Highlights: {yields} We explored the interaction of BSA and EDA using spectroscopic methods. {yields} The fluorescence quenching mechanism is combined quenching. {yields} Hydrophobic interaction force plays a major role in stabilizing the complex. {yields} The binding constants, binding sites, and thermodynamic parameters were calculated. {yields} EDA affects the conformation of tryptophan residue's microregion.

  12. Spectroscopic investigation on interaction of toluidine blue/ AOT/ γ-cyclodextrin ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Dasmandal, Somnath; Bhattacharyya, Debabrata; Rudra, Suparna; Patel, Biman Kumar; Mahapatra, Ambikesh, E-mail: amahapatra@chemistry.jdvu.ac.in

    2016-11-15

    Interaction of toluidine blue (TB), a biologically potent cationic phenothiazinium dye, with anionic surfactant, sodium bis(2-ethylhexyl) sulfosuccinate (AOT) have been thoroughly studied employing absorption and emission spectroscopy. A completely distinct spectral behavior of TB has been observed corresponding to pre-micellar and post-micellar region of AOT. Steady-state fluorescence anisotropy measurement has been carefully undertaken to rationalize the spectroscopic results. Effect of γ-cyclodextrin (γ-CD) on the spectral properties of TB has also been encountered for understanding of binding interaction between them. Molecular docking study has been accomplished to enlighten the probable orientation of TB inside the γ-CD core. Here particular interest has been focused on a mixed system, composed of AOT pre-micelles and γ-CD. A remarkable diminution of both absorption and emission intensities of TB has been observed in AOT pre-micelle with a simultaneous colorimetric change of TB solution from dark blue to lavender, and subsequent addition of γ-CD results in enhancement of intensities with dramatic reversal of the lavender colored solution to the original dark blue color. The emission characteristics of TB in the presence of AOT and γ-CD may prove as promising for an ‘IMPLICATION’ logic gate which may perform a significant role in the field of molecular electronics.

  13. Irradiation effects detected by Moessbauer spectroscopy in iron complexes

    International Nuclear Information System (INIS)

    Ladriere, J.

    1998-01-01

    The nature and the extent of the 60 Co gamma radiolysis of several iron coordination compounds have been analysed by Moessbauer absorption spectroscopy. The comparison of the radiolytic yields with the after effects observed by Moessbauer emission spectroscopy in similar 57 Co-doped compounds, supports the self-radiolysis model

  14. Moessbauer studies of superparamagnetic ferrite nanoparticles for functional application

    Energy Technology Data Exchange (ETDEWEB)

    Mazeika, K., E-mail: kestas@ar.fi.lt; Jagminas, A.; Kurtinaitiene, M. [SSRI Center for Physical Sciences and Technology (Lithuania)

    2013-04-15

    Nanoparticles of CoFe{sub 2}O{sub 4} and MnFe{sub 2}O{sub 4} prepared for functional applications in nanomedicine were studied using Moessbauer spectrometry. Superparamagnetic properties of nanoparticles of different size and composition were compared applying collective excitations and multilevel models for the description of the Moessbauer spectra.

  15. Moessbauer study of Fe(III)-reducing sugar complexes

    International Nuclear Information System (INIS)

    Wolowiec, S.; Drabent, K.

    1985-01-01

    Iron(III) complexes with glucose, galactose, mannose and lactose were prepared. The Moessbauer and magnetic susceptibility data demonstrate the polymeric structure of the complexes. The thermal behaviour of the Fe(III)-glucose complex was monitored by Moessbauer spectroscopy. (author)

  16. Efficiency analysis of clearance of two types of exogenous iron from the rat brain by Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Polikarpov, D. M., E-mail: polikarpov.imp@gmail.com; Cherepanov, V. M.; Gabbasov, R. R. [National Research Centre, ' Kurchatov Institute' (Russian Federation); Chuev, M. A.; Mischenko, I. N. [Russian Academy of Sciences, Russian Institute of Physics and Technology (Russian Federation); Korshunov, V. A. [Russian Academy of Sciences, Institute of Higher Nervous Activity and Neurophysiology (Russian Federation); Panchenko, V. Y. [National Research Centre, ' Kurchatov Institute' (Russian Federation)

    2013-04-15

    Fe{sub 3}O{sub 4} based ferrofluid was injected transcranially in the ventricle of the rat brain. At 3 months after the injection the rat was sacrificed and the brain was investigated by Moessbauer spectroscopy and histological Perls Prussian blue method. Joint analysis of histological and Moessbauer data confirms that superparamagnetic nanoparticles Fe{sub 3}O{sub 4}, which constituted about 91 % of the iron of the ferrofluid, were cleared from the brain, while the concomitant chemical compound containing ferric ion in the high-spin state, remains intact.

  17. Moessbauer spectroscopy on amorphous Fe/sub x/Ni/sub 80-x/B20 after neutron irradiation

    International Nuclear Information System (INIS)

    Sitek, J.; Miglierini, M.

    1985-01-01

    Amorphous Fe/sub x/Ni/sub 80-x/B 20 glassy alloys (x = 40, 50, 60, and 70) irradiated with fast neutrons in a fluence range of 10 14 to 10 19 cm -2 were investigated by Moessbauer spectroscopy. There were some significant changes in the Moessbauer spectrum parameters of the 10 19 cm -2 irradiated samples except Fe 40 Ni 40 B 20 . This corresponds to a change in the direction of the easy axis of magnetization. The measurements show that the resistance of the Fe-Ni-B system against neutron irradiation improves with increasing Ni content up to a certain point

  18. High pressure Moessbauer spectrometer for the high-resolution 93.3 keV resonance in 67Zn

    International Nuclear Information System (INIS)

    Adlassnig, W.; Potzel, W.; Moser, J.; Schaefer, C.; Steiner, M.; Kalvius, G.M.

    1989-01-01

    A high pressure, low temperature Moessbauer spectrometer for the high-resolution 93.3 keV resonance in 67 Zn is described. The pressure is generated by applying the opposed anvil technique. Using B 4 C anvils and a sandwich gasket quasihydrostatic pressures up to 6 GPa were obtained for the required large samples of 7 mm diameter and 2 mm thickness. The piezoelectric Doppler drive is mounted on top of the pressure clamp. The whole system can be cooled to liquid He temperatures. The spectrometer was used to investigate at 4.2 K the pressure dependence of the Moessbauer parameters of Zn metal. (orig.)

  19. Moessbauer study of magnetic properties of KFeF3

    International Nuclear Information System (INIS)

    Ito, A.; Morimoto, S.

    1975-01-01

    The results of the Moessbauer study of magnetic properties of KFeF 3 in a temperature range of 4.2 to 300 K are reported. Powdered and single crystal samples were used as absobers. Moessbauer spectra obtained for the powdered samples at various temperatures, for the single crystal with axial stress along the [111] direction obtained at 77 and 4.2 K and temperature dependences of the Moessbauer parameters are presented. The magnetic properties of KFeF 3 were found to be very sensitive to strain. The effect of strain was found to be significant near the Neel temperature and 40 K. Tsub(N) was determined by the Moessbauer study to be 112 K for the single-crystal-free and 117 K for the single-crystal-(111)-fixed sample. The Moessbauer spectra near Tsub(N) are given. (Z.S.)

  20. Moessbauer Effect applications using intense radioactive ion beams

    International Nuclear Information System (INIS)

    Taylor, R.D.

    1990-01-01

    The Moessbauer Effect is reviewed as a promising tool for a number of new solid state studies when used in combination with radioactive beam/implantation facilities. The usual Moessbauer Effect involves long-lived radioactive parents (days to years) that populate low-lying nuclear excited states that subsequently decay to the ground state. Resonant emission/absorption of recoil-free gamma rays from these states provide information on a number of properties of the host materials. Radioactive ion beams (RIB) produced on-line allow new Moessbauer nuclei to be studied where there is no suitable parent. The technique allows useful sources to be made having extremely low local concentrations. The ability to separate the beams in both Z and A should provide high specific activity ''conventional'' sources, a feature important in some applications such as Moessbauer studies in diamond anvil high pressure cells. Exotic chemistry is proposed using RIB and certain Krypton and Xenon Moessbauer isotopes

  1. Microstructure and spectroscopic investigations of calcium zinc bismuth phosphate glass ceramics doped with manganese ions

    Science.gov (United States)

    Suneel Kumar, A.; Sambasiva Rao, M. V.; Chinna Ram, G.; Krishna Rao, D.

    2018-01-01

    Multi-component 10CaF2-20ZnO-(15 - x)Bi2O3-55P2O5:xMnO (0 ≤ x ≤ 2.5) glass ceramics were synthesised by melt quenching technique and heat treatment. The prepared glass ceramics were characterised by XRD, DTA, EDS and SEM. Spectroscopic studies such as optical absorption, EPR, FTIR and Raman were also carried out on these glass ceramics. The XRD and SEM studies have indicated that ceramic samples contain well defined and randomly distributed grains of different crystalline phases. The observed increase of enthalpy from DTA patterns up to 1 mol% of MnO indicates that the crystallisation starts initially from the surface of the material then gradually it is extended to the volume of the material and this influence is meagre at higher concentrations of MnO. The absorption spectra of manganese doped glass ceramics have exhibited two types of conventional bands; one due to Mn2+ ions and other due to Mn3+ ions. The EPR spectra of MnO doped glass ceramics showed a resonance signal around g2 = 2.023 with a six line hyperfine structure and another signal at about g1 = 4.314. The relative intensity and half-width of these two signals are observed to increase with the increase in the concentration of manganese ions up to 1 mol% beyond this concentration it is found to decrease. Such observation indicates the conversion of part of Mn2+ ions into Mn3+ ions in the glass ceramic matrix. The observed increase in the intensity of symmetrical structural units at the expense of asymmetrical structural units from the FTIR and Raman spectra at higher concentration of MnO indicating that Mn2+ ions occupy the network forming positions in the glass ceramic structure.

  2. Theoretical and spectroscopic investigation of the oxidation and degradation of protocatechuic acid

    International Nuclear Information System (INIS)

    Hatzipanayioti, Despina; Karaliota, Alexandra; Kamariotaki, Mary; Aletras, Vasilios; Petropouleas, Panayiotis

    2006-01-01

    In this work, we report a combined experimental and theoretical study on molecular structure and spectroscopic properties of the most stable conformers of PCA. 1 H, 13 C NMR and 2D COSY NMR, ESR, IR and electronic spectroscopies were coupled with DFT theoretical calculations performed at the B3LYP/6-31G** level. The calculated geometrical parameters for the neutral protocatechuic acid PCA-H 3 , its anions, its oxidized forms and the peroxo-derivative [PCA-H-O 2 ] 2- are in line with the experimental data. The neutral catecholate is the most stable form of PCA-H 3 whilst the dianion [PCA-H] 2- presents higher energy. This anion is (experimentally) stable only under argon, reacting with dioxygen, in the presence of air. The semiquinone [PCA-H-sq(3)] - is very close in energy from [PCA-H-sq(4)] - form and an equilibrium between these two oxidized radical forms might be expected. The energetically advantageous pathway for preparation of the symmetrically delocalized [PCA-sq] 2- is to oxidize the [PCA] 3- . The occurrence of this radical dianion form was justified experimentally by ESR, IR, UV-vis and NMR spectra. The structural calculations for [PCA-H-O 2 ] 2- indicate that C 3 (and to a lesser extent C1) may undergo a nucleophilic attack from the 'co-ordinated' peroxo-group. The conditions for the non-enzymatic degradation of PCA have been established and some new products are observed: ionization of PCA-H 3 , the presence of O 2 and aprotic solvents provide the semiquinone-superoxo adduct which is then degraded to lactones, while in protic solvents, addition of H 2 O 2 and the presence of air, are essential, providing aliphatic degradation products

  3. Moessbauer studies of hemoglobin in erythrocytes exposed to neutron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Niemiec, Katarzyna; Kaczmarska, Magdalena; Buczkowski, Mateusz [AGH University, Faculty of Physics and Computer Science, Department of Medical Physics and Biophysics (Poland); Fornal, Maria [Collegium Medicum, Jagiellonian University, Department of Internal Medicine and Gerontology (Poland); Pohorecki, Wladyslaw [AGH University, Faculty of Energy and Fuels (Poland); Matlak, Krzysztof; Korecki, Jozef [AGH University, Faculty of Physics and Computer Science, Department of Solid State Physics (Poland); Grodzicki, Tomasz [Collegium Medicum, Jagiellonian University, Department of Internal Medicine and Gerontology (Poland); Burda, Kvetoslava, E-mail: kvetoslava.burda@fis.agh.edu.pl [AGH University, Faculty of Physics and Computer Science, Department of Medical Physics and Biophysics (Poland)

    2012-03-15

    We studied radiation effects on the stability of various states of hemoglobin (Hb) in red blood cells (RBC) irradiated with a very low dose of neutron rays, 50 {mu}Gy. We investigated RBCs isolated from blood of healthy donors. Moessbauer spectroscopy was applied to monitor different forms of Hb. Our results show, for the first time, that oxyhemoglobin (OxyHb) and deoxyhemoglobin (DeoxyHb) are two Hb forms sensitive to such a low neutron radiation. Both Hbs change into a new Hb form (Hb{sub irr}). Additionally, OxyHb transfers into HbOH/H{sub 2}O, which under our experimental conditions is resistant to the action of neutron rays.

  4. Moessbauer spectroscopy of Fe-Mn-Cu alloys

    International Nuclear Information System (INIS)

    Paduani, Clederson; Krause, Joao Carlos; Yoschida, M.I. Soares

    2004-01-01

    Full text: Although a continuous series of solid solutions exists between Cu and Mn, Fe and Cu are miscible only a few percent at higher temperatures. In moderately concentrated Cu-Mn alloys the Mn moments are bound to the long ranged antiferromagnetic order and the perpendicular components form an X-Y spin glass. Copper alloys are largely employed in various industrial applications. In this work we study the magnetic properties of iron-rich disordered Fe-Mn-Cu alloys with the bcc structure with the experimental techniques of X-ray diffraction (XRD), Moessbauer spectroscopy (MS) and thermogravimetry (TGA). We investigate the formation of a solid solution with the bcc structure as well as the effect of the composition on the structural and magnetic properties of these alloys. A Rietveld analysis of the XRD diffractograms indicate that all prepared samples are single phase and are well crystallized with a bcc structure. (author)

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

    Directory of Open Access Journals (Sweden)

    Ilaria Solano

    2016-04-01

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

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

    Science.gov (United States)

    Sathish, K; Thirumaran, S

    2015-08-05

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

  7. Time resolved spectroscopic investigation of SiD2 + D2: kinetic study

    Science.gov (United States)

    Al-Rubaiey, Najem A.; Walsh, Robin

    2017-03-01

    Silylenes (silanediyls) have made an important impact on organosilicon chemistry even if it is of more recent foundation than carbenes in organic chemistry and much less complete. These species are highly reactive intermediates. They play a central role in the chemical vapour deposition (CVD) of various silicon-containing thin films which have a technological importance in microelectronics as well as in the dry etching processes of silicon wafers. Spectroscopic methods have been developed to observe these species, a necessary pre-requisite to their direct monitoring. In this work, deuterated phenylsilane precursor, PhSiD3 was chosen for SiD2 because its analogue phenylsilane, PhSiH3 proved to be a good precursor for SiH2 and the high quality decay signals observed revealed that SiD2 be readily detected from PhSiD3 and that if other decomposition pathways (e.g. PhSiD + D2) are occurring, they do not effect measurements of the rate constants for SiD2. The absorption spectrum of SiD2 formed from the flash photolysis of a mixture of PhSiD3 and SF6 at 193nm were found in the region 17384-17391 cm-1 with strong band at 17387.07 cm-1. This single rotational line of pQ1 was chosen to monitor SiD2 removal. Time-resolved studies of SiD2 have been carried out to obtain rate constants for its bimolecular reactions with D2. The reactions were studied over the pressure range 5-100 Torr (in SF6 bath gas) at four temperatures in the range 298-498K. Single decay from 10 photolysis laser shots were averaged and found to give reasonable first-order kinetics fits. Second order kinetics were obtained by pressure dependence of the pseudo first order decay constants and substance D2 pressures within experimental error. The reaction was found to be weakly pressure dependent at all temperatures, consistent with a third-body mediated association process. In addition, SiH2+ H2 reaction is approximately ca. 60% faster than SiD2+D2 reaction. Theoretical extrapolations (using Lindemann

  8. Time resolved spectroscopic investigation of SiD2 + D2: kinetic study

    Directory of Open Access Journals (Sweden)

    Al-Rubaiey Najem A.

    2017-01-01

    Full Text Available Silylenes (silanediyls have made an important impact on organosilicon chemistry even if it is of more recent foundation than carbenes in organic chemistry and much less complete. These species are highly reactive intermediates. They play a central role in the chemical vapour deposition (CVD of various silicon-containing thin films which have a technological importance in microelectronics as well as in the dry etching processes of silicon wafers. Spectroscopic methods have been developed to observe these species, a necessary pre-requisite to their direct monitoring. In this work, deuterated phenylsilane precursor, PhSiD3 was chosen for SiD2 because its analogue phenylsilane, PhSiH3 proved to be a good precursor for SiH2 and the high quality decay signals observed revealed that SiD2 be readily detected from PhSiD3 and that if other decomposition pathways (e.g. PhSiD + D2 are occurring, they do not effect measurements of the rate constants for SiD2. The absorption spectrum of SiD2 formed from the flash photolysis of a mixture of PhSiD3 and SF6 at 193nm were found in the region 17384-17391 cm-1 with strong band at 17387.07 cm-1. This single rotational line of pQ1 was chosen to monitor SiD2 removal. Time-resolved studies of SiD2 have been carried out to obtain rate constants for its bimolecular reactions with D2. The reactions were studied over the pressure range 5-100 Torr (in SF6 bath gas at four temperatures in the range 298-498K. Single decay from 10 photolysis laser shots were averaged and found to give reasonable first-order kinetics fits. Second order kinetics were obtained by pressure dependence of the pseudo first order decay constants and substance D2 pressures within experimental error. The reaction was found to be weakly pressure dependent at all temperatures, consistent with a third-body mediated association process. In addition, SiH2+ H2 reaction is approximately ca. 60% faster than SiD2+D2 reaction. Theoretical extrapolations (using

  9. Lattice dynamics of intercalation and layer compounds by 119Sn Moessbauer effect spectroscopy

    International Nuclear Information System (INIS)

    Herber, R.H.; Davis, R.F.

    1976-01-01

    Gamma ray resonance spectroscopy using the 28-keV radiation from 119 Sn was employed to study the lattice dynamics of layer compounds and their metal atom intercalates. It was found that in solids in which the ( 119 Sn) Moessbauer atom is held either as an ion or as an isolated atom in the structure, both the characteristic lattice temperature (THETA/sub M/) value calculated from the temperature dependence of the recoil-free fraction (evaluated in the high temperature limit where T is greater than THETA/2 and in the absence of significant anharmonic effects) and characteristic temperature (THETA/sub CT/) value calculated by the Craig-Taylor procedure give internally consistent values for the lattice temperature of the solid as probed by the Moessbauer atom. In cases where this probe atom is part of a covalently bonded structure, as for example in the extended polymeric SnS 2 , SnSe 2 and related solids, the difference between THETA/sub M/ and THETA/sub CT/ will be significant, and this difference should be useful in the elucidation of the intermolecular and bonding forces in such solids and their relationship to the solid state properties of these materials. It is noted that the experimental determination of a unique lattice temperature by Moessbauer spectroscopic methods provides the solid state physicist with an additional parameter which should be useful in the characterization of solids, and, more importantly, may serve as a diagnostic tool in the assessment of the effects of systematic changes (such as, for example, compositional variations, radiation damage effects, implantation, and intercalation consequences) brought about in such materials

  10. Optimal configuration for programmable Moessbauer experiments

    Energy Technology Data Exchange (ETDEWEB)

    Pasquevich, Gustavo A; Veiga, Alejandro L; Zelis, Pedro Mendoza; Sanchez, Francisco H, E-mail: gpasquev@fisica.unlp.edu.a [Departamento de Fisica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata (Argentina)

    2010-03-01

    Based on channel independency of recently developed Moessbauer instrumentation an approximation to optimal configuration of experiments is presented. The analysis relies on the presumption that all the available channels of the spectrum are not equally efficient for a given experimental application. A quantification of this concept is presented and a method for different channel layout comparison is proposed. The optimization of recorded spectra is important in dynamic experiments where efficiency in data taking imposes feasibility limits as well as in static applications as a way of reducing experimental time.

  11. Study Moessbauer of chromites of South Africa

    International Nuclear Information System (INIS)

    Lopez, Ada; Velazquez, R.

    1997-01-01

    Coming natural chromites from South Africa they were studied by spectroscopy Moessbauer and X-rays diffraction. The ionic distribution of the ions of iron is reported in the area tetrahedral and octahedral in the structure showing that the pattern an orderly distribution, the chromites nearby to an inverse spinel. The microanalysis shows a certain variability in the composition in the coming specimen of the same area and could be the cause the apparent evolution of the chromite in the laterization process. We try to compare these results with a similar study coming f rom basaltic rocks of the Nemby Hill in oriental region of Paraguay [es

  12. Iron oxides characterization by Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Basurto Sanchez, R.

    1993-01-01

    In this work rust development on low carbon wire surface after the conformation process at different temperatures was studied by Moessbauer spectroscopy. The characterization was made by determining the following spectral parameters; 1) Quadrupole splitting, 2) Isomer shift, and 3) Magnetic splitting. The area quantification determined the percentage amount of three different iron oxides. These iron oxides were: a) Wustite (Fe O), b) Hematite (Fe 2 O 3 ), and c) Magnetite (Fe 3 O 4 ) which were present in the rust studied. With the results it was possible to establish the best temperature to favor the development of each of these iron oxides. (Author)

  13. Implementation of the Electron conversion Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Hernandez, Torres, D.; Noriega Scull, C.

    1996-01-01

    In the present work has been exposed the principles of the Conversion Moessbauer Electron Spectroscopy and its possibilities of application. Is also described the operation of the parallel plate avalanche detector made at the CEADEN starting from modifications done to the Gancedo's model and is exposed examples of the use of this detector in the characterization of corroded surfaces, with chemical cleaning and in samples of welded joints. The experiences obtained of this work were extended to the National Polytechnic Institute of Mexico where a similar detector, made in our center, was installed there

  14. Backscattering Moessbauer spectroscopy of Martian dust

    International Nuclear Information System (INIS)

    Bertelsen, P.; Madsen, M. B.; Binau, C. S.; Goetz, W.; Gunnlaugsson, H. P.; Hviid, S. F.; Kinch, K. M.; Klingelhoefer, G.; Leer, K.; Madsen, D. E.; Merrison, J.; Olsen, M.; Squyres, S. W.

    2005-01-01

    We report on the determination of the mineralogy of the atmospherically suspended Martian dust particles using backscattering 57 Fe Moessbauer spectroscopy on dust accumulated onto the magnets onboard the Mars Exploration Rovers. The spectra can be interpreted in terms of minerals of igneous origin, and shows only limited, if any, amounts of secondary minerals that may have formed in the presence of liquid water. These findings suggest that the dust has formed in a dry environment over long time in the history of the planet.

  15. Electrodeposition of carrier-free 57Co on rhodium as an approach to the preparation of Moessbauer sources

    International Nuclear Information System (INIS)

    Cieszykowska, Izabela; ZoLtowska, MaLgorzata; Mielcarski, MieczysLaw

    2011-01-01

    Electrodeposition of carrier-free 57 Co on a rhodium matrix as the first step of preparing Moessbauer sources was studied. To optimize the plating parameters, the influences of current density, volume and pH of the electrolyte solution, shape, thickness, and surface area of the rhodium cathode, mode of cathode pretreatment, concentration of 57 Co and duration of electrolysis were investigated.

  16. Moessbauer spectroscopy of metals from birth to death

    International Nuclear Information System (INIS)

    Fujita, Francisco Eiichi

    1998-01-01

    In today's metallurgy, precision techniques, such as X-ray and electron diffraction, electron microscopy, infrared spectroscopy and electron probe micro-analyzer, are being indispensably used, and, comparing to them, Moessbauer spectroscopy is not inferior at all in usefulness, convenience and cost benefit. Actually, however, it is not yet popular among the metallurgists probably because people believe that the Moessbauer effect is a difficult physics, radioactive sources are difficult to handle, and spectral analyses are complicated. These beliefs are in fact groundless and must be dissolved for further diffusion of this useful Moessbauer technique in metals and other industries.The present introductory talk intends to help people's better understanding and no anxiety for using the Moessbauer spectroscopy by showing how it can be applied to various problems of metals and alloys from their birth to the end, that is, from the study of minerals and ores before smelting to that of corrosion and other failures.Firstly, the principle of Moessbauer spectroscopy will be explained with simplest illustrations together with simple pictures of apparatuses including the high temperature furnace and the high pressure cell.In the second will be shown typical examples of Moessbauer patterns of magnetite, carbon steel and other alloys, with indications of how to analyze the seemingly complicated spectra. Some other examples will be shown with special apparatuses easy to measure. The usefulness and convenience of Moessbauer spectroscopy will be understood again from these examples. More examples will be on amorphous alloys and other advanced materials

  17. QUANTITATIVE FOURIER TRANSFORM INFRARED SPECTROSCOPIC INVESTIGATION OF HUMIC SUBSTANCE FUNCTIONAL GROUP COMPOSITION

    Science.gov (United States)

    Infrared (IR) spectroscopy has been widely used for the structural investigation of humic substances. Although Fourier Transform Infrared (FTIR) instrumentation has been available for sometime, relatively little work with these instruments has been reported for humic substances,...

  18. A Novel Spectroscopic Methodology for the Investigation of Individual Bacillus Spores

    National Research Council Canada - National Science Library

    Alexander, Troy A; Pellegrino, Paul; Gillespie, James B

    2005-01-01

    A methodology has been developed for the investigation of bacterial spores. Specifically, this method has been used to probe the spore coat composition of two different Bacillus stearothermophilus variants...

  19. Comparison of Magnetic and Moessbauer Results Obtained for Palaeozoic Rocks of Hornsund, Southern Spitsbergen, Arctic

    International Nuclear Information System (INIS)

    Szlachta, K.; Galazka-Friedman, J.; Michalski, K.; Brzozka, K.; Gorka, B.

    2008-01-01

    This analysis was performed as a part of the palaeomagnetic project focused on the reconstruction of the palaeogeographic position of the Svalbard Archipelago and adjacent crustal units (European Arctic) in the Palaeozoic and Mesozoic. Three rock formations | Cambrian, Devonian and Carboniferous were sampled in the area of Hornsund, southern Spitsbergen. The main aim of the presented study is to identify ferromagnetic minerals (sensu lato) - the carriers of the natural remanent magnetisation in the investigated rocks. A wide range of magnetic methods were used: the Lowrie tests, unblocking temperatures determinations and the measurement of coercivity spectra as well as the Moessbauer studies. In Devonian and Carboniferous samples all applied methods indicate the domination of the hematite natural remanent magnetisation carrier. In Cambrian rocks magnetic measurements reveal a mixture of ferromagnetic (sensu lato) minerals with varying coercivities and unblocking temperatures. The Moessbauer data improve the identification, suggesting that in Cambrian rocks the carrier of the dominating natural remanent magnetisation component is maghemite. (authors)

  20. Moessbauer study of C18N/Fe Langmuir-Blodgett layers

    Energy Technology Data Exchange (ETDEWEB)

    Kuzmann, Erno [Institute of Chemistry, Eoetvoes Lorand University (Hungary); Telegdi, Judit [Institute of Nanochemistry and Catalysis, Chemical Research Center, HAS (Hungary); Nemeth, Zoltan, E-mail: hentes@chem.elte.hu; Vertes, Attila [Institute of Chemistry, Eoetvoes Lorand University (Hungary); Nyikos, Lajos [Institute of Nanochemistry and Catalysis, Chemical Research Center, HAS (Hungary)

    2012-03-15

    Langmuir-Blodgett (LB) films of octadecanoyl hydroxamic acid (C18N) complexed with Fe{sup 3 + } ions have been prepared at various subphase pH values. The LB films consisting of different number of layers were investigated by {sup 57}Fe conversion electron Moessbauer spectroscopy (CEM) at room temperature. The CEM detector contained a piece of {alpha}-iron, enriched with {sup 57}Fe, using as an internal standard. The Moessbauer pattern of the C18N/Fe LB films is a doublet with parameters {delta} = 0.35 mm/s and {Delta} = 0.74 mm/s. A gradual increase of the relative occurrence of the doublet compared to the sextet of the internal standard was observed with the increasing number of layers, indicating the nearly uniform distribution of Fe among the LB layers.

  1. Use of the Moessbauer effect for determining pyritic sulfur content in coal

    Energy Technology Data Exchange (ETDEWEB)

    Czerw, B; Sikora, T

    1986-10-01

    This paper discusses investigations into resonance absorption of gamma radiation. Standard equipment for measuring the Moessbauer effect in black coal consisting of a measuring head, the SM-4T spectrometer, a multichannel analyzer, the Standard electronic unit and a printer is evaluated. The MSP measuring system developed jointly by the EMAG Mine Automation Company and the Nuclear Research Institute in Swierk is described. The MSP equipment is used for measuring content of pyritic sulfur in coal. Its accuracy is satisfactory. Results of measuring pyritic and total sulfur content by means of quantitative chemical analysis and by the MSP resonance absorption method (Moessbauer effect) are compared. The mean standard deviation for pyritic sulfur is 0.14% and for total sulfur content 0.21%. 11 refs.

  2. A Moessbauer effect study of the bonding in several organoiron carbonyl clusters

    International Nuclear Information System (INIS)

    Long, G.J.; O'Brien, J.F.

    1988-01-01

    After a brief review of the applications of the Moessbauer effect to cyclopentadienyl containing compounds, the chemistry and spectral properties of the various iron carbonyl complexes are described. The electronic properties of a series of trinuclear and tetranuclear organoiron clusters have been investigated through Fenske-Hall self-consistent field molecular orbital calculations, and the results are compared with the Moessbauer effect isomer shifts. A linear correlation is found between the Slater effective nuclear charge, as calculated from the Fenske-Hall partial orbital occupancy factors, and the isomer shift. In these compounds the 4s orbital populations are rather constant. However, the cis and trans isomers of [CpFe(CO) 2 ] 2 have a significantly lower 4s orbital populations. In this case, the reduced 4s population must be accounted for by adding it to the effective nuclear charge to obtain a good correlation with the isomer shift. (orig.)

  3. Moessbauer and NMR study of novel Tin(IV)-lactames

    Energy Technology Data Exchange (ETDEWEB)

    Kuzmann, Erno; Szalay, Roland; Homonnay, Zoltan, E-mail: homonnay@ludens.elte.hu; Nagy, Sandor [Eoetvoes Lorand University, Institute of Chemistry (Hungary)

    2012-03-15

    N-tributylstannylated 2-pyrrolidinone was reacted with tributyltin triflate in different molar ratios and the complex formation monitored using {sup 1}H-NMR, {sup 13}C-NMR and {sup 119}Sn Moessbauer spectroscopy. Comparing the carbon NMR and tin Moessbauer results, a reaction scheme is suggested for the complexation which assumes the formation of a simultaneously O- and N-tributylstannylated pyrrolidinone cation. The formation of the only O-stannylated pyrrolidinone is also assumed to account for the non-constant Moessbauer parameters of the two tin environments in the distannylated pyrrolidinone cation when the ratio of tributyltin triflate is increased in the reaction.

  4. Moessbauer sum rules for use with synchrotron sources

    International Nuclear Information System (INIS)

    Lipkin, Harry J.

    1999-01-01

    The availability of tunable synchrotron radiation sources with millivolt resolution has opened new prospects for exploring dynamics of complex systems with Moessbauer spectroscopy. Early Moessbauer treatments and moment sum rules are extended to treat inelastic excitations measured in synchrotron experiments, with emphasis on the unique new conditions absent in neutron scattering and arising in resonance scattering: prompt absorption, delayed emission, recoil-free transitions and coherent forward scattering. The first moment sum rule normalizes the inelastic spectrum. New sum rules obtained for higher moments include the third moment proportional to the second derivative of the potential acting on the Moessbauer nucleus and independent of temperature in the the harmonic approximation

  5. Multiwire proportional chamber for Moessbauer spectroscopy: development and results

    International Nuclear Information System (INIS)

    Costa, M.S. da.

    1985-12-01

    A new Multiwere proportional Chamber designed for Moessbauer Spectroscopy is presented. This detector allows transmission backscattering experiments using either photons or electrons. The Moessbauer data acquisition system, partially developed for this work is described. A simple method for determining the frontier between true proportional and semi-proportional regions of operation in gaseous detectors is proposed. The study of the tertiary gas mixture He-Ar-CH 4 leads to a straight forward way of energy calibration of the electron spectra. Moessbauer spectra using Fe-57 source are presented. In particular those obtained with backsattered electrons show the feasibility of depth selective analysis with gaseous proportional counters. (author) [pt

  6. Technical and technological investigation of cultural heritage: experience in applications of spectroscopic methods

    Directory of Open Access Journals (Sweden)

    Grigorieva I.A.

    2017-01-01

    Full Text Available Physical and chemical methods of analysis are indispensable for restoration, study of painting techniques, examination and attribution of works of art. Development of new directions of investigations as well as improvements in sample preparation allow applying non-destructive analysis methods, minimizing amount of matter used to obtain informative spectra, preventing alteration and destruction of samples in the course of investigation. This paper observes the examples of applying optical and spectral methods, including molecular spectral analysis and electron microscopy, for study of binding media and pigments of painting and archaeological artifacts.

  7. The Application of Moessbauer Emission Spectroscopy to Industrial Cobalt Based Fischer-Tropsch Catalysts

    International Nuclear Information System (INIS)

    Loosdrecht, J. van de; Berge, P. J. van; Craje, M. W. J.; Kraan, A. M. van der

    2002-01-01

    The application of Moessbauer emission spectroscopy to study cobalt based Fischer-Tropsch catalysts for the gas-to-liquids process was investigated. It was shown that Moessbauer emission spectroscopy could be used to study the oxidation of cobalt as a deactivation mechanism of high loading cobalt based Fischer-Tropsch catalysts. Oxidation was observed under conditions that are in contradiction with the bulk cobalt phase thermodynamics. This can be explained by oxidation of small cobalt crystallites or by surface oxidation. The formation of re-reducible Co 3+ species was observed as well as the formation of irreducible Co 3+ and Co 2+ species that interact strongly with the alumina support. The formation of the different cobalt species depends on the oxidation conditions. Iron was used as a probe nuclide to investigate the cobalt catalyst preparation procedure. A high-pressure Moessbauer emission spectroscopy cell was designed and constructed, which creates the opportunity to study cobalt based Fischer-Tropsch catalysts under realistic synthesis conditions.

  8. Spectroscopic Investigation of the Ultrafast Photoinduced Dynamics in pi-Conjugated Terpyridines

    NARCIS (Netherlands)

    Siebert, R.; Akimov, D.; Schmitt, M.; Winter, A.; Schubert, U.S.; Dietzek, B.; Popp, J.

    2009-01-01

    Time-resolved spectroscopy is applied to investigate the ultrafast relaxation dynamics of several pi-conjugated mono-, bis-, tris- and tetrakis(terpyridine) derivs. This particular series of structurally closely related systems was prepd. applying efficient synthetic strategies and resembles key

  9. Surface enhanced spectroscopic investigations of adsorption of cations on electrochemical interfaces.

    Science.gov (United States)

    Dunwell, M; Wang, Junhua; Yan, Y; Xu, B

    2017-01-04

    The adsorption of alkali and tetraalkylammonium cations on Pt is investigated using surface enhanced infrared absorption spectroscopy and carbon monoxide as a probe molecule. Alkali cations exhibit a stronger adsorption than organic cations, with potassium showing the strongest effect, followed by sodium and lithium.

  10. Spectroscopic investigation of the redox properties of CoAPO molecular sieves

    NARCIS (Netherlands)

    Peeters, M.P.J.; Hooff, van J.H.C.; Sheldon, R.A.; Zholobenko, V.L.; Kustov, L.M.; Kazansky, V.B.; Balmoos, von R.; Higgins, J.B.; Treacy, M.M.J

    1993-01-01

    Acid sites in CoAPO-5 and CoAPO-11 and redox properties of these Co-substituted aluminophosphates have been investigated using UV- and IR-spectroscopy. The data obtained show that CoAPO exhibits quite unusual acidic and redox properties. The absence of the bridged OH-group seems to be a common

  11. Advances in constant-velocity Moessbauer instrumentation

    International Nuclear Information System (INIS)

    Veiga, A.; Martinez, N.; Zelis, P. Mendoza; Pasquevich, G. A.; Sanchez, F. H.

    2006-01-01

    A prototype of a programmable constant-velocity scaler is presented. This instrument allows the acquisition of partial Moessbauer spectra in selected energy regions using standard drivers and transducers. It can be fully operated by a remote application, thus data acquisition can be automated. The instrument consists of a programmable counter and a constant-velocity reference. The reference waveform generator is amplitude modulated with 13-bit resolution, and is programmable in a wide range of frequencies and waveforms in order to optimize the performance of the transducer. The counter is compatible with most standard SCA, and is configured as a rate-meter that provides counts per selectable time slice at the programmed velocity. As a demonstration of the instrument applications, a partial Moessbauer spectrum of a natural iron foil was taken. Only positive energies were studied in 512 channels, accumulating 20 s per channel. A line width of 0.20 mm/s was achieved, performing with an efficiency of 80%.

  12. The Unusual Moessbauer Spectrum of Beryl

    International Nuclear Information System (INIS)

    Viana, R. R.; Costa, G. M. da; Grave, E. de; Evangelista, H. J.; Stern, W. B.

    2001-01-01

    The Moessbauer spectra of several aquamarine samples have been obtained in the temperature range of 4.2-500 K. A common feature observed in all room-temperature spectra is the presence of an asymmetric Fe 2+ doublet (ΔE Q ∼2.7 mm/s, δ∼1.1 mm/s), with a very broad low-velocity peak. This asymmetry is not caused by preferred orientation since the spectrum collected under the magic angle did not show any difference in the line intensities, nor is it caused by the superposition of a Fe 3+ doublet. At 4.2 K the spectrum of a deep-blue beryl could be well fitted with three symmetrical doublets, with the major Fe 2+ doublet accounting for 87% of the total spectral area. At 14 K the symmetry remains, but at 30 K the low-velocity peak is again broad. Surprisingly, the spectrum at 500 K also shows a broad, but symmetrical doublet, with a clear splitting of the lines indicating the presence of at least two Fe 2+ components. The room-temperature spectrum obtained after the 500 K run shows the same features as before the heating. A meaningful fit for the room-temperature spectrum, as well as an explanation for the temperature dependence of the Moessbauer spectra, are discussed

  13. Spectroscopic investigation of the constituent components effect on the biodegradable package characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Coţa, C.; Cioica, N., E-mail: cioica@inma.ro; Nagy, E. M. [National Institute of Research-Development for Machines and Installations Designed to Agriculture and Food Industry – INMA Bucureşti – Cluj-Napoca Branch, 59, Al. Vaida-Voievod Str., RO-400458 Cluj-Napoca (Romania); Filip, C. [National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath Str., 400293 Cluj-Napoca (Romania); Fechete, R. [Technical University of Cluj-Napoca, Dept. of Physics, 25 G. Baritiu Str., RO-400020 Cluj-Napoca (Romania); Todica, M. [Babeş-Bolyai University, Faculty of Physics, 1 Kogalniceanu Str., RO-400084, Cluj-Napoca (Romania); Cozar, O. [National Institute of Research-Development for Machines and Installations Designed to Agriculture and Food Industry – INMA Bucureşti – Cluj-Napoca Branch, 59, Al. Vaida-Voievod Str., RO-400458 Cluj-Napoca (Romania); Academy of Romanian Scientists, 54 Splaiul Independentei, RO-050094, Bucharest (Romania)

    2015-12-23

    The effect of the nature and the content of the plasticizers (water, glycerol) on the corn starch based biodegradable packages properties (crystalline-amorphous) and also on their degradation process after absorption of distilled water were investigated by {sup 1}H NMR relaxation and {sup 13}C CP/MAS NMR spectroscopies. For this goal, a set of 14 samples with various starch/glycerol/water (mass %) ratios were prepared and investigated after extrusion process in order to establish their crystalline or amorphous character. The composition having starch/glycerol/water 68/17/15 mass % ratio was found to have a dominant amorphous character and very similar features with a commercial specimen (USA) used for the package. It was also found that this best package is extremely degraded after just one day under water absorption. The most resistant package was that with a large content of starch (78/19.5/2.5)

  14. Spectroscopic investigation of the constituent components effect on the biodegradable package characteristics

    International Nuclear Information System (INIS)

    Coţa, C.; Cioica, N.; Nagy, E. M.; Filip, C.; Fechete, R.; Todica, M.; Cozar, O.

    2015-01-01

    The effect of the nature and the content of the plasticizers (water, glycerol) on the corn starch based biodegradable packages properties (crystalline-amorphous) and also on their degradation process after absorption of distilled water were investigated by 1 H NMR relaxation and 13 C CP/MAS NMR spectroscopies. For this goal, a set of 14 samples with various starch/glycerol/water (mass %) ratios were prepared and investigated after extrusion process in order to establish their crystalline or amorphous character. The composition having starch/glycerol/water 68/17/15 mass % ratio was found to have a dominant amorphous character and very similar features with a commercial specimen (USA) used for the package. It was also found that this best package is extremely degraded after just one day under water absorption. The most resistant package was that with a large content of starch (78/19.5/2.5)

  15. Investigation of the molecular level interactions between mucins and food proteins: Spectroscopic, tribological and rheological studies

    OpenAIRE

    Celebioglu, Hilal Yilmaz; Chronakis, Ioannis S.; Lee, Seunghwan; Guðjónsdóttir, María

    2017-01-01

    The thesis investigated the structure and molecular-level interaction of β-lactoglobulin (BLG) and mucins, representing major components of the dairy products and saliva/digestion systems, respectively. Mucins are long glycoprotein molecules responsible for the gel nature of the mucous layer covers epithelial surfaces throughout the body. A literature review of the interactions of different mucin types and saliva mucins with several food proteins and food protein emulsions, as well as their f...

  16. Separately contacted edge states: A new spectroscopic tool for the investigation of the quantum Hall effect

    OpenAIRE

    Wuertz, A.; Wildfeuer, R.; Lorke, A.; Deviatov, E. V.; Dolgopolov, V. T.

    2001-01-01

    Using an innovative combination of a quasi-Corbino sample geometry and the cross-gate technique, we have developed a method that enables us to separately contact single edge channels in the quantum Hall regime and investigate equilibration among them. Performing 4-point resistance measurements, we directly obtain information on the energetic and geometric structure of the edge region and the equilibration-length for current transport across the Landau- as well as the spin-gap. Based on an alm...

  17. Spectroscopic and Computational Investigations of Ligand Binding to IspH: Discovery of Non-diphosphate Inhibitors

    Energy Technology Data Exchange (ETDEWEB)

    O' Dowd, Bing [Department of Chemistry, University of Illinois, 600 South Mathews Avenue Urbana IL 61801 USA; Williams, Sarah [Department of Chemistry and Biochemistry, University of California at San Diego, La Jolla CA 92093 USA; Wang, Hongxin [Department of Chemistry, University of California, 1 Shields Avenue Davis CA 95616 USA; Lawrence Berkeley National Laboratory, 1 Cyclotron Road Berkeley CA 94720 USA; No, Joo Hwan [Center for Biophysics and Computational Biology, Urbana, IL (United States); Rao, Guodong [Department of Chemistry, University of Illinois, 600 South Mathews Avenue Urbana IL 61801 USA; Wang, Weixue [Center for Biophysics and Computational Biology, Urbana, IL (United States); McCammon, J. Andrew [Department of Chemistry and Biochemistry, University of California at San Diego, La Jolla CA 92093 USA; Howard Hughes Medical Institute, University of California at San Diego, La Jolla CA 92093 USA; National Biomedical Computation Resource, University of California at San Diego, La Jolla CA 92093 USA; Cramer, Stephen P. [Department of Chemistry, University of California, 1 Shields Avenue Davis CA 95616 USA; Lawrence Berkeley National Laboratory, 1 Cyclotron Road Berkeley CA 94720 USA; Oldfield, Eric [Department of Chemistry, University of Illinois, 600 South Mathews Avenue Urbana IL 61801 USA

    2017-04-07

    Isoprenoid biosynthesis is an important area for anti-infective drug development. One isoprenoid target described is (E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate (HMBPP) reductase (IspH), which forms isopentenyl diphosphate and dimethylallyl diphosphate from HMBPP in a 2H + /2e - reduction. IspH contains a 4 Fe-4 S cluster, and in this work, we first investigated how small molecules bound to the cluster by using HYSCORE and NRVS spectroscopies. The results of these, as well as other structural and spectroscopic investigations, led to the conclusion that, in most cases, ligands bound to IspH 4 Fe-4 S clusters by η 1 coordination, forming tetrahedral geometries at the unique fourth Fe, ligand side chains preventing further ligand (e.g., H 2 O, O 2 ) binding. Based on these ideas, we used in silico methods to find drug-like inhibitors that might occupy the HMBPP substrate binding pocket and bind to Fe, leading to the discovery of a barbituric acid analogue with a K i value of ≈500 nm against Pseudomonas aeruginosa IspH.

  18. Crystallization kinetics and spectroscopic investigations on Tb3+ and Yb3+ codoped glass ceramics containing CaF2 nanocrystals

    International Nuclear Information System (INIS)

    Huang Lihui; Qin Guanshi; Arai, Yusuke; Jose, Rajan; Suzuki, Takenobu; Ohishi, Yasutake; Yamashita, Tatsuya; Akimoto, Yusuke

    2007-01-01

    Transparent Tb 3+ and Yb 3+ codoped oxyfluoride glass ceramics containing CaF 2 nanocrystals were prepared by melt quenching and subsequent heat treatment. Crystallization kinetics of CaF 2 nanocrystals was investigated by differential scanning calorimetric method. The average apparent activation energy E a of the crystallization was ∼498 kJ/mol. Moreover, the value of the Avrami exponent n was 1.01. These results suggest that the crystallization mechanism of CaF 2 is a diffusion controlled growth process of needles and plates of finite long dimensions. X-ray diffraction patterns and transmission electron microscopy image confirmed the CaF 2 nanocrystals in the glass ceramic. Ultraviolet (UV) and visible emission spectra of the as-made glass and the glass ceramic with an excitation of a 974 nm laser diode were recorded at room temperature. An intense UV emission at 381 nm was observed in the glass ceramic. The origin of the enhancement of the emission at 381 nm was investigated using spectroscopic technique and Judd-Ofelt analysis. The enhancement of the emission at 381 nm could be attributed to the change of the ligand field of Tb 3+ ions due to the incorporation of some Tb 3+ and Yb 3+ ions into CaF 2 nanocrystals in the glass ceramic

  19. Spectroscopic investigations of ceramic materials using ICP-OES with modern vaporisation systems

    International Nuclear Information System (INIS)

    Reisch, M.U.; Mazurkiewicz, M.; Nickel, H.

    1990-10-01

    The object of this work was to study the evaporation and excitation process in the analysis of ceramic powders by the direct insertion of the samples into an inductively coupled plasma (ICP) as well as by external electrothermal evaporation. The evaporation rates were monitored by using 59 Fe and 115 Cd radiaoactive isotopes. The influence of various parameters such as the geometrical conditions, the carrier gas injection and the flow characteristics have been investigated. These methods have the advantage of easy preparation, no dilution and short experiment durations. The influence of different thermochemical additives as well as third elements, matrix compositions and grain size of the powders was determined. (orig.) [de

  20. Impedance Spectroscopic Investigation of the Degraded Dye-Sensitized Solar Cell due to Ageing

    Directory of Open Access Journals (Sweden)

    Parth Bhatt

    2016-01-01

    Full Text Available This paper investigates the effect of ageing on the performance of dye-sensitized solar cells (DSCs. The electrical characterization of fresh and degraded DSCs is done under AM1.5G spectrum and the current density-voltage (J-V characteristics are analyzed. Short circuit current density (JSC decreases significantly whereas a noticeable increase in open circuit voltage is observed. These results have been further investigated electroanalytically using electrochemical impedance spectroscopy (EIS. An increase in net resistance results in a lower JSC for the degraded DSC. This decrease in current is mainly due to degradation of TiO2-dye interface, which is observed from light and dark J-V characteristics and is further confirmed by EIS measurements. A reduction in the chemical capacitance of the degraded DSC is observed, which is responsible for the shifting of Fermi level with respect to conduction band edge that further results in an increase of open circuit voltage for the degraded DSC. It is also confirmed from EIS that the degradation leads to a better contact formation between the electrolyte and Pt electrode, which improves the fill factor of the DSC. But the recombination throughout the DSC is found to increase along with degradation. This study suggests that the DSC should be used under low illumination conditions and around room temperature for a longer life.

  1. Semiconductor nanocrystals dispersed in imidazolium-based ionic liquids: a spectroscopic and morphological investigation

    International Nuclear Information System (INIS)

    Panniello, Annamaria; Binetti, Enrico; Ingrosso, Chiara; Curri, M. Lucia; Agostiano, Angela; Tommasi, Raffaele; Striccoli, Marinella

    2013-01-01

    A growing interest is devoted to the study of imidazolium-based ionic liquids as innovative materials to combine with functional elements for advanced technological applications. Materials based on semiconductor and oxide nanocrystals in ionic liquids can be promising for their integration in lithium batteries, as well as in innovative solar cells. Although the physical chemical properties and the solvation dynamics of bare ionic liquids have been extensively studied, their combination with colloidal nanocrystals still remains almost unexplored. Here, the optical properties of organic-capped luminescent cadmium selenide nanocrystals coated by a shell of zinc sulfide (CdSe(ZnS)) dispersed in 1,3-dialkyl imidazolium ionic liquids have been investigated, also in dependence of the alkyl chain length on the imidazolium ring and of the anion nature, by using both time-integrated and time-resolved optical spectroscopy. The observed variations in decay profiles of the ionic liquid in presence of colloidal nanocrystals suggest that the dispersion of the nanostructures induces modifications in the ionic liquid structural order. Finally, atomic force microscopy analysis has provided insight into the topography of the investigated dispersions deposited as film, confirming the organization of the ionic liquids in super-structures, also upon nanocrystal incorporation.

  2. Spectroscopic Investigations and DFT Calculations on 3-(Diacetylamino-2-ethyl-3H-quinazolin-4-one

    Directory of Open Access Journals (Sweden)

    Yusuf Sert

    2016-01-01

    Full Text Available The theoretical and experimental vibrational frequencies of 3-(diacetylamino-2-ethyl-3H-quinazolin-4-one (2 were investigated. The experimental Laser-Raman spectrum (4000–100 cm−1 and FT-IR spectrum (4000–400 cm−1 of the newly synthesized compound were recorded in the solid phase. Both the theoretical vibrational frequencies and the optimized geometric parameters such as bond lengths and bond angles have for the first time been calculated using density functional theory (DFT/B3LYP and DFT/M06-2X quantum chemical methods with the 6-311++G(d,p basis set using Gaussian 03 software. The vibrational frequencies were assigned with the help of potential energy distribution (PED analysis using VEDA 4 software. The calculated vibrational frequencies and the optimized geometric parameters were found to be in good agreement with the corresponding reported experimental data. Also, the energies of the lowest unoccupied molecular orbital (LUMO, highest occupied molecular orbital (HOMO, and other related molecular energies for 3-(diacetylamino-2-ethyl-3H-quinazolin-4-one (2 have been investigated using the same computational methods.

  3. Spectroscopic studies and quantum chemical investigations of (3,4-dimethoxybenzylidene) propanedinitrile.

    Science.gov (United States)

    Gupta, Ujval; Kumar, Vinay; Singh, Vivek K; Kant, Rajni; Khajuria, Yugal

    2015-04-05

    The Fourier Transform Infrared (FTIR), Ultra-Violet Visible (UV-Vis) spectroscopy and Thermogravimetric (TG) analysis of (3,4-dimethoxybenzylidene) propanedinitrile have been carried out and investigated using quantum chemical calculations. The molecular geometry, harmonic vibrational frequencies, Mulliken charges, natural atomic charges and thermodynamic properties in the ground state have been investigated by using Hartree Fock Theory (HF) and Density Functional Theory (DFT) using B3LYP functional with 6-311G(d,p) basis set. Both HF and DFT methods yield good agreement with the experimental data. Vibrational modes are assigned with the help of Vibrational Energy Distribution Analysis (VEDA) program. UV-Visible spectrum was recorded in the spectral range of 190-800nm and the results are compared with the calculated values using TD-DFT approach. Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The results obtained from the studies of Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) are used to calculate molecular parameters like ionization potential, electron affinity, global hardness, electron chemical potential and global electrophilicity. Copyright © 2014 Elsevier B.V. All rights reserved.

  4. The Moessbauer experiment on the clays and the imitative ancient porcelains

    International Nuclear Information System (INIS)

    Gao Zhengyao; Chen Songhua

    1995-12-01

    It is analyzed that Moessbauer parameter variations of clays from the famous sites of ancient kilns change with temperature, time and atmosphere in firing process. The variation of the Moessbauer parameters of the imitative ancient Chinese Ru porcelain sky-green glaze with the firing conditions is studied in detail. The Moessbauer spectra show that the sky-green glaze contains three kinds of iron minerals, i.e. the structural iron (Fe 2+ and Fe 3+ ); Fe 2 O 3 and Fe 3 O 4 ; The relative intensity of the paramagnetic peak Fe 2+ increases and the magnetic ratio of the magnetic peak decreases with increasing temperature. Based on the variation of the quadrupole splitting (QS) of the paramagnetic peak Fe 2+ , the phase transformation characteristics of the sky-green glaze in the firing process is discussed. The coloring mechanism of the sky-green glaze and the variation of its magnetism in the firing process are also investigated. The variation of the hyperfine interaction parameters and the variable mechanism of the sky-green glaze at liquid helium temperature is studied. Moessbauer spectra of the imitative ancient blue Jun porcelain indicate that the glaze and boby materials contain Fe 2 O 3 , Fe 3 O 4 and structural iron. It is clear that during the firing process, the glaze undergoes dehydration, dehydroxylation, vitrification and recrystallization. The Fe 2+ quadrupole splitting value of the paramagnetic peak of the body material is rather high even at low firing temperature. The distinction between dehydration and dehyroxylation is not clear. The changes of magnetism of the glaze and body materials in the firing process and coloring mechanism of the sky-blue Jun porcelain are analyzed

  5. The Use of the Moessbauer Effect in Investigating the Chemical Effects of Nuclear Transmutations in Oxygenous Compounds of Manganese and Tin; Utilisation de l'Effet Moessbauer pour l'Etude des Effets Chimiques des Transformations Nucleaires dans les Composes de Manganese et d'Etain; 0418 0421 0421 041b 0415 0414 ; Empleo del Efecto Moessbauer para Investigar las Transformaciones Nucleares de Compuestos Oxigenados de Estano y de Manganeso

    Energy Technology Data Exchange (ETDEWEB)

    Nesmejanov, An. N.; Babeshkin, A. M.; Kosev, N. P.; Bekker, A. A.; Lebedev, V. A. [Moskovskij Gosudarstvennyj Universitet Im. M.V. Lomonosova, Moskva, SSSR (Russian Federation)

    1965-04-15

    The customary methods of studying the chemical state of recoil atoms, i. e. those connected with phase transitions (chemical analysis, chromatography, electrophoresis) and also the annealing technique, permit only indirect judgments as to the stabilization mechanism of hot atoms. In analysis with the method of resonance absorption of non-recoil gamma-quanta, no changes are introduced into the sample that could influence the forms of stabilization, even where stability is not very great. In the present study we investigated the forms of stabilization of Mn56 recoil atoms in irradiated solutions and solid samples of permanganate, and of Sn{sup 119m} recoil atoms in stannic oxide and stannous oxide. The permanganate samples were irradiated in a paraffin block with a polonium-beryllium source at a neutron flux of 10{sup 7} - 10{sup 8} n/cm{sup 2}. s. The hot Mn{sup 56} atoms are formed in the +7, +4 and lower valency states. From samples (SnO and SnO{sub 2}) irradiated in a reactor for 1800 h at a flux of 2.2 x 10{sup 13} n/cm{sup 2}. s, sources were prepared directly for a study of the resonance absorption of gamma-quanta in an apparatus operating at constant speed. Suitable compounds of tin were used as absorbers. The Sn{sup 119m} recoil atoms were detected only in the +4-valency state. The data obtained are taken as the basis for a discussion of the stabilization mechanism of recoil atoms. (author) [French] Les methodes habituellement appliquees pour etudier l'etat chimique des atomes de recul (analyse chimique, chromatographie, electro- phorese) sont liees, comme le recuit, aux transitions de phases et ne permettent de determiner le mecanisme de stabilisation des atomes chauds que d'une facon indirecte. Lorsque l'analyse est faite au moyen d'une methode fondee sur l'absorption par resonance des phonons sans recul, l'echantillon ne subit aucune modification pouvant exercer une influence sur les formes de stabilisation, meme si ces formes sont peu durables. Les

  6. Spectroscopic investigation of an intrinsic room temperature ferromagnetism in Co doped ZnO nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    N, Srinatha [Department of Physics, JB Campus, Bangalore University, Bangalore 560056 (India); Angadi, Basavaraj, E-mail: brangadi@gmail.com [Department of Physics, JB Campus, Bangalore University, Bangalore 560056 (India); Nair, K.G.M. [UGC-DAE-CSR, Kalpakkam Node, Kalpakkam, Kokilamedu 603 102 (India); Deshpande, Nishad G.; Shao, Y.C.; Pong, Way-Faung [Department of Physics, Tamkang University, Tamsui, Taipei 251, Taiwan (China)

    2014-08-15

    Highlights: • For the first time L-Valine was used as a fuel to synthesize Co:ZnO nanoparticles by solution combustion method. • Single phase and ferromagnetic nature were confirmed through XRD, SQUID, NEXAFS and XMCD. • Through NEXAFS and XMCD, the effect of ‘Co’ substitution at O K-edge, Co L{sub 3,2} edge, Zn L{sub 3,2} edge have been investigated. • Spectral features of NEXAFS and XMCD confirms an intrinsic RTFM by substitution of ‘Co{sup 2+}’ at ‘Zn{sup 2+}’ site and rules out the presence of secondary phases. - Abstract: Pure and Co substituted ZnO nano crystalline particles were prepared by solution combustion technique using L-Valine as a fuel. As synthesized powder samples were characterized by X-ray diffractometer and SQUID magnetometer to confirm the formation of single phase wurtzite structure and to study the bulk magnetic response of the sample, respectively. Magnetic studies show that Co doped ZnO nanoparticles exhibit ferromagnetism (FM) at room temperature (RT). Furthermore, the electronic structure and element specific magnetic properties were investigated by near-edge X-ray absorption fine structure (NEXAFS) and X-ray magnetic circular dichroism (XMCD) measurements, respectively. The effect of Co substitution on the spectral features of Co–ZnO at O K-edge, Co L{sub 3,2} edge, Zn L{sub 3,2} edge have been investigated. The spectral features of NEXAFS at Co L{sub 3,2} edge is entirely different from the spectral features of metallic clusters and other impurity phases, which rules out the presence of impurity phases. The valence state of ‘Co’ ion is found to be in +2 state. The FM nature of the sample was confirmed through XMCD spectra, which is due to the incorporation of divalent ‘Co’ ions. Hence the presented results confirm the substitution of ‘Co’ ions at ‘Zn’ site in the host lattice, which is responsible for the RTFM.

  7. Spectroscopic (vibrational, NMR and UV-vis.) and quantum chemical investigations on 4-hexyloxy-3-methoxybenzaldehyde.

    Science.gov (United States)

    Abbas, Ashgar; Gökce, Halil; Bahçeli, Semiha

    2016-01-05

    In this study, the 4-hexyloxy-3-methoxybenzaldehyde compound as one of the derivatives of vanillin which is a well known flavoring agent, C14H20O3, has been investigated by experimentally and extensively utilizing density functional theory (DFT) at the B3LYP/6-311++G(d,p) level. In this context, the optimized geometry, vibrational frequencies, (1)H and (13)C NMR chemical shifts, UV-vis. (in gas phase and in methanol solvent) spectra, HOMO-LUMO analysis, molecular electrostatic potential (MEP), thermodynamic parameters and atomic charges of 4-hexyloxy-3-methoxybenzaldehyde have been calculated. In addition, theoretically predicted IR, Raman and UV-vis. (in gas phase and in methanol solvent) spectra of the mentioned molecule have been constructed. The results calculated were compared with the experimental data. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. Spectroscopic investigations of nanostructured LiNbO3 doped with Eu3+

    International Nuclear Information System (INIS)

    Hreniak, D.; Speghini, A.; Bettinelli, M.; Strek, W.

    2006-01-01

    Structural and optical properties of the sol-gel derived nanocrystalline lithium niobate (LiNbO 3 ) powders doped with Eu 3+ ions have been studied. In particular, the influence of the sizes of nanoparticles controlled by temperature on the structural and luminescence properties has been investigated. Emission bands corresponding to 5 D emission became more resolved with increasing nanocrystal size and changed to a typical Eu 3+ :LiNbO 3 single crystal spectrum for nanocrystals having an average size of more than 40 nm. Nonlinear optical properties of nanostructured LiNbO 3 have been confirmed by simple observation of second harmonic generation effect (SHG). The possibility of using nanostructured LiNbO 3 doped with rare-earth ions as self-doubling elements in integrated optoelectronic devices has been discussed

  9. Raman spectroscopic investigations of swift heavy ion irradiation effects in single-walled carbon nanotubes

    International Nuclear Information System (INIS)

    Olejniczak, A.; Skuratov, V.A.; Lukaszewicz, J.P.

    2013-01-01

    In this study, we report the results on swift heavy ion irradiation effects in single-walled carbon nanotubes (SWNTs). Buckypapers, prepared of CVD grown, SWNTs were irradiated at room temperature with 167 MeV Xe ions to fluences in the range of 6×10 11 - 6.5×10 13 cm -2 and investigated using Raman spectroscopy. We observed a rich set of features in the intermediate frequency mode region. Some of them, being defect-induced, resembled fairly well the phonon density of states (DOS) of nanocrystalline glassy carbon. Analysis of the RBM modes has shown that the broader metallic tubes are characterized by higher radiation stability than thinner semiconducting ones. (authors)

  10. Fluorescence spectroscopic investigation of the interaction of citrinin with native and chemically modified cyclodextrins

    Energy Technology Data Exchange (ETDEWEB)

    Poór, Miklós, E-mail: poor.miklos@pte.hu [Department of Pharmacology and Pharmacotherapy, Toxicology Section, University of Pécs, Szigeti út 12, Pécs H-7624 (Hungary); Matisz, Gergely; Kunsági-Máté, Sándor [Department of General and Physical Chemistry, University of Pécs, Ifjúság útja 6, Pécs H-7624 (Hungary); János Szentágothai Research Center, Ifjúság útja 20, Pécs H-7624 (Hungary); Derdák, Diána [Department of General and Physical Chemistry, University of Pécs, Ifjúság útja 6, Pécs H-7624 (Hungary); Szente, Lajos [CycloLab Cyclodextrin Research & Development Laboratory Ltd., Illatos út 7, Budapest H-1097 (Hungary); and others

    2016-04-15

    Citrinin (CIT) is a nephrotoxic mycotoxin produced by several Aspergillus, Penicillium and Monascus species. CIT is unavoidable contaminant of different foods and drinks due to its wide occurrence and high thermal stability. For this reason, development of new, more sensitive analytical methods and decontamination strategies has high importance. In our study, the complex formation of CIT with native and chemically modified cyclodextrins was investigated using fluorescence spectroscopy. Furthermore, thermodynamic and molecular modeling studies were also performed for the deeper understanding of these host-guest interactions. Our results show that among the tested compounds methylated β-cyclodextrins form the most stable complexes with CIT and these derivatives cause the highest fluorescence enhancement of CIT as well. These observations recommend that some of the chemically modified derivatives show more favourable properties than the native cyclodextrin, and suggesting more promising analytical applicability and higher affinity as potential toxin binders.

  11. Synthesis, X-ray crystallography, thermal studies, spectroscopic and electrochemistry investigations of uranyl Schiff base complexes.

    Science.gov (United States)

    Asadi, Zahra; Shorkaei, Mohammad Ranjkesh

    2013-03-15

    Some tetradentate salen type Schiff bases and their uranyl complexes were synthesized and characterized by UV-Vis, NMR, IR, TG, C.H.N. and X-ray crystallographic studies. From these investigations it is confirmed that a solvent molecule occupied the fifth position of the equatorial plane of the distorted pentagonal bipyramidal structure. Also, the kinetics of complex decomposition by using thermo gravimetric methods (TG) was studied. The thermal decomposition reactions are first order for the studied complexes. To examine the properties of uranyl complexes according to the substitutional groups, we have carried out the electrochemical studies. The electrochemical reactions of uranyl Schiff base complexes in acetonitrile were reversible. Copyright © 2012 Elsevier B.V. All rights reserved.

  12. Investigation of the molecular level interactions between mucins and food proteins: Spectroscopic, tribological and rheological studies

    DEFF Research Database (Denmark)

    Celebioglu, Hilal Yilmaz

    The thesis investigated the structure and molecular-level interaction of β-lactoglobulin (BLG) and mucins, representing major components of the dairy products and saliva/digestion systems, respectively. Mucins are long glycoprotein molecules responsible for the gel nature of the mucous layer covers...... epithelial surfaces throughout the body. A literature review of the interactions of different mucin types and saliva mucins with several food proteins and food protein emulsions, as well as their functional properties related to the food oral processing is presented at the first chapter of the thesis (Paper...... V). Most of the studies suggest an electrostatic attraction between positively charged food proteins with negatively charged moieties of mucins (mainly on glycosylated region of mucins). The structural changes occurring during the interaction between BLG, the major whey protein, and bovine...

  13. Mode of bindings of zinc oxide nanoparticles to myoglobin and horseradish peroxidase: A spectroscopic investigations

    Science.gov (United States)

    Mandal, Gopa; Bhattacharya, Sudeshna; Ganguly, Tapan

    2011-07-01

    The interactions between two heme proteins myoglobin (HMb) and horseradish peroxidase (HRP) with zinc oxide (ZnO) nanoparticles are investigated by using UV-vis absorption, steady state fluorescence, synchronous fluorescence, time-resolved fluorescence, FT-IR, atomic force microscopy (AFM) and circular dichroism (CD) techniques under physiological condition of pH˜7.4. The presence of mainly static mode in fluorescence quenching mechanism of HMb and HRP by ZnO nanoparticle indicates the possibility of formation of ground state complex. The processes of bindings of ZnO nanoparticles with the two proteins are spontaneous molecular interaction procedures. In both cases hydrogen bonding plays a major role. The circular dichroism (CD) spectra reveal that a helicity of the proteins is reduced by increasing ZnO nanoparticle concentration although the α-helical structures of HMb and HRP retain their identity. On binding to the ZnO nanoparticles the secondary structure of HRP molecules (or HMb molecules) remains unchanged while there is a substantial change in the environment of the tyrosin active site in case of HRP molecules and tryptophan active site in case of HMb molecules. Tapping mode atomic force microscopy (AFM) was applied for the investigation the structure of HRP adsorbed in the environment of nanoparticles on the silicon and on the bare silicon. HRP molecules adsorb and aggregate on the mica with ZnO nanoparticle. The aggregation indicates an attractive interaction among the adsorbed molecules. The molecules are randomly distributed on the bare silicon wafer. The adsorption of HRP in the environment of ZnO nanoparticle changes drastically the domains due to a strong interaction between HRP and ZnO nanoparticles. Similar situation is observed in case of HMb molecules. These findings demonstrate the efficacy of biomedical applications of ZnO nanoparticles as well as in elucidating their mechanisms of action as drugs in both human and plant systems.

  14. Spectroscopic and molecular modeling investigation on the binding of a synthesized steroidal amide to protein

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hua-xin, E-mail: h.x.zhang@yeah.net; Liu, E.

    2014-09-15

    Owing to the various valuable biological activities, steroidal amides have become a hot topic in steroidal pharmaceutical chemistry. In this paper, an anti-tumor steroid derivate (DAAO) was synthesized and identified. The interaction between DAAO and human serum albumin (HSA) was studied by fluorescence spectra, circular dichroism (CD) spectra, molecular modeling and molecular probe techniques. The results suggested that DAAO had reacted with HSA through hydrogen bonds and van der Waals power. The formation of DAAO–HSA complex at ground state led to static quenching of HSA's fluorescence. The number of binding sites, binding constants, enthalpy change (ΔH{sup θ}), Gibbs free energy change (ΔG{sup θ}) and entropy change (ΔS{sup θ}) were calculated at different temperatures based on fluorescence quenching theory and classic equation. Molecular modeling investigation indicated that DAAO was more inclined to absorb on Sudlow's site I in subdomain IIA of HSA molecule on grounds of the lowest energy principle and steric hindrance effect. The binding location was further confirmed by fluorescence probe experiment using warfarin (site I probe) for displacement. Furthermore, the conformational changes of HSA in presence of DAAO were investigated by CD spectra. The results could provide new evidence explaining the relationship between the chemical structure and biological activity and may be useful for understanding the anti-cancer mechanism of steroidal drug. - Highlights: • A designed steroidal amide compound (DAAO) was synthesized by introducing amido bonds into a steroid nucleus. • DAAO binds to Sudlow's site I in HSA through hydrogen bonds and van der Waals power. • The interaction was a spontaneous and exothermic process with modest degree of reversibility. • The secondary structure of HSA and the microenvironment of TRP214 altered. • Amido bond in steroid nucleus (–NH–CO–) plays important role in stabling the structure of

  15. Moessbauer determination of magnetic structure of Fe3BO6 crystal

    International Nuclear Information System (INIS)

    Kovalenko, P.P.; Labushkin, V.G.; Ovsepyan, A.K.; Sarkisov, Eh.R.; Smirnov, E.V.; Prokopov, A.R.; Seleznev, V.N.

    1984-01-01

    The magnetic structure of a Fe 3 BO 6 crystal belonging to space group Dsub(2h)sup(16)(Psub(nma)) is determined by the Moessbauer γ-radiation diffraction. The bragg reflection (700) of Moessbauer 14.4 keV γ-quanta from the Fe 3 BO 6 monocrystal has been studied experimentally. A high sensitivity of the interference of γ-quantum diffraction scattering on Fe nuclei being in crystallographically non-equivalent 8d- and 4s-positions to the type of magnetic ordering in the crystal is used for determination of the magnetic structure. Agreement of the experimental results with the theoretical calculations, conducted for types of magnetic ordering resolved by the symmetry of the crystal, permitted to reliably determine the magnetic structure of this compound. The results obtained confirm the data of neutrondiffraction studies on magnetic ordering in Fe 3 BO 6 . Advantages of the Moessbauer-diffraction study, as compared to the magnetic neutrondiffraction method, in particular, for investigation of crystals, in which the hyperfine magnetic fields on Fe nuclei have different values, are revealed and discussed in detail

  16. Moessbauer determination of magnetic structure of Fe/sub 3/BO/sub 6/ crystal

    Energy Technology Data Exchange (ETDEWEB)

    Kovalenko, P.P.; Labushkin, V.G.; Ovsepyan, A.K.; Sarkisov, Eh.R.; Smirnov, E.V.; Prokopov, A.R.; Seleznev, V.N.

    1984-10-01

    The magnetic structure of a Fe/sub 3/BO/sub 6/ crystal belonging to space group Dsub(2h)sup(16)(Psub(nma)) is determined by the Moessbauer ..gamma..-radiation diffraction. The bragg reflection (700) of Moessbauer 14.4 keV ..gamma..-quanta from the Fe/sub 3/BO/sub 6/ monocrystal has been studied experimentally. A high sensitivity of the interference of ..gamma..-quantum diffraction scattering on Fe nuclei being in crystallographically non-equivalent 8d- and 4s-positions to the type of magnetic ordering in the crystal is used for determination of the magnetic structure. Agreement of the experimental results with the theoretical calculations, conducted for types of magnetic ordering resolved by the symmetry of the crystal, permitted to reliably determine the magnetic structure of this compound. The results obtained confirm the data of neutrondiffraction studies on magnetic ordering in Fe/sub 3/BO/sub 6/. Advantages of the Moessbauer-diffraction study, as compared to the magnetic neutrondiffraction method, in particular, for investigation of crystals, in which the hyperfine magnetic fields on Fe nuclei have different values, are revealed and discussed in detail.

  17. Latin American conference on the applications of the Moessbauer effect

    International Nuclear Information System (INIS)

    1992-01-01

    This work includes all the papers presented at the LACAME'92 Latin American conference on the applications of the Moessbauer effect, held in Buenos Aires (Argentine Republic), from 5th. through 9th., 1992

  18. Moessbauer studies on ancient Jizhon plain Temmoku porcelains

    International Nuclear Information System (INIS)

    Yu Zhengfang; Zheng Yufang; Lin Yongqiang

    1994-01-01

    Three kinds of ancient Jizhou plain Temmoku wares and their several ware-making raw materials were studied by means of X-ray diffraction (XRD) and Moessbauer spectroscopy. The firing technique of ancient Jizhou Temmoku porcelains is discussed. (orig.)

  19. An electrostatic RF modulator for Moessbauer gamma-rays

    International Nuclear Information System (INIS)

    Ognjanov, N.I.; Tsankov, L.T.; Ivanov, P.V.

    1983-01-01

    A new device is proposed for rf acoustic modulation of Moessbauer gamma-radiation, based on the principle of the electrostatic speaker. Certain features of the construction are discussed and results from tests are presented. (orig.)

  20. Proceedings of the 1. National Meeting of Moessbauer Spectroscopy

    International Nuclear Information System (INIS)

    1982-01-01

    Several works, both theoretical and experimental, on Moessbauer effect which have been done by Brazilian physical groups are presented in this meeting. The historical evolution of this field in Brazil is also approached. (L.C.) [pt

  1. Application of Moessbauer effect in identification of minerals

    International Nuclear Information System (INIS)

    Gajdosova, M.

    1979-01-01

    An analysis is made of the Moessbauer spectra of magnetites from the Ocna de Fier deposit in Romania, from the deposits of Kiruna and Taberg in Sweden and from the deposit in the Ural in the USSR. (H.S.)

  2. Study on Moessbauer spectra of hemoglobin in thalassemia

    International Nuclear Information System (INIS)

    Guo Xuanhui; Zhao Nanming; Zhang Xiufang

    1988-01-01

    The 57 Fe Moessbauer spectra of erythrocytes in normal subjects and nine patients of different thalassemias were studied. Together with clinical analysis, the correlation between the components in the spectra and different types of anemias was discussed. (orig.)

  3. The design of a servo system for a Moessbauer spectrometer

    International Nuclear Information System (INIS)

    Cranshaw, T.E.

    1981-06-01

    This report describes the design of a transducer system and servo drive amplifier suitable for Moessbauer spectrometers. Particular attention is paid to low and zero frequency drift. Measurements of the loop gain of a practical system are presented. (author)

  4. Computational Investigation on the Spectroscopic Properties of Thiophene Based Europium β-Diketonate Complexes.

    Science.gov (United States)

    Greco, Claudio; Moro, Giorgio; Bertini, Luca; Biczysko, Malgorzata; Barone, Vincenzo; Cosentino, Ugo

    2014-02-11

    The adiabatic transition energies from the lowest triplet states of four Europium tris β-diketonate/phenantroline complexes have been determined in vacuo and in dicholomethane solution by the ΔSCF approach at the density functional theory level, using the PBE1PBE and the CAM-B3LYP hybrid functionals. The calculated adiabatic transition energies have been compared with the experimental 0-0 transitions of each complex determined from phosphorescence spectra of the corresponding Gd(3+) complexes and followed by direct comparison between simulated and experimental spectra line shapes. For compound 1, the Eu(TTA)3Phen system, triplet states other than the lowest one and conformational isomers other than the one present in the crystallographic structure have been considered. In the crystallographic structure, this compound presents three quasi-degenerate low energy triplet states, differing for the TTA ligand where the two unpaired electrons are localized and showing close adiabatic transition energies. For compound 1, the lowest triplet states of the four investigated conformational isomers show similar characteristics and close adiabatic transition energies. On the basis of these results, an investigation of compounds 2-4 (Eu(Br-TTA)3Phen, Eu(DTDK)3Phen, and Eu(MeT-TTA)3) has been performed by considering only the isomer present in the crystallographic structure and only the lowest triplet state of each compound. For compounds 1-3, the energies of the lowest triplet states calculated by both functionals in solution including zero-point energy corrections well reproduce the experimental trends as well as the values of the adiabatic transition energies: CAM-B3LYP, the best performing functional, provides energies of the lowest triplet state with deviations from experiments lower than 1200 cm(-1). Also, the calculated vibrationally resolved phosphorescence spectra and UV-vis absorptions well reproduce the main features of their experimental counterparts. Significant

  5. Spectroscopic investigation on formation and growth of mineralized nanohydroxyapatite for bone tissue engineering applications

    Science.gov (United States)

    Gopi, D.; Nithiya, S.; Shinyjoy, E.; Kavitha, L.

    Synthetic calcium hydroxyapatite (HAP,Ca10(PO4)6(OH)2) is a well-known bioceramic material used in orthopaedic and dental applications because of its excellent biocompatibility and bone-bonding ability. Substitution of trace elements, such as Sr, Mg and Zn ions into the structure of calcium phosphates is the subject of widespread investigation. In this paper, we have reported the synthesis of Sr, Mg and Zn co-substituted nanohydroxyapatite by soft solution freezing method. The effect of pH on the morphology of bioceramic nanomaterial was also discussed. The in vitro bioactivity of the as-synthesized bioceramic nanomaterial was determined by soaking it in SBF for various days. The as-synthesized bioceramic nanomaterial was characterized by Fourier transform infrared spectroscopy, X- ray diffraction analysis, Scanning electron microscopy and Energy dispersive X-ray analysis and Transmission electron microscopic techniques respectively. The results obtained in our study have revealed that pH 10 was identified to induce the formation of mineralized nanohydroxyapatite. It is observed that the synthesis of bioceramic nanomaterial not only support the growth of apatite layer on its surface but also accelerate the growth which is evident from the in vitro studies. Therefore, mineralized nanohydroxyapatite is a potential candidate in bone tissue engineering.

  6. Vibrational spectroscopic and dielectric properties investigations of phase transitions in KMgPO4 compound

    Science.gov (United States)

    Miladi, L.; Oueslati, A.; Guidara, K.

    2017-11-01

    The potassium orthophosphate KMgPO4 with a β-tridymite structure was synthesized via solid-state reaction. X-ray diffraction study confirms the formation of a single phase material which crystallizes at room temperature in monoclinic system. This compound has been investigated by vibrational spectroscopy in the temperature range573-723 K. Thermal analysis shows that this composition undergoes two phase transitions at T1=633Kand T2=693 K.The evolution of Raman line ν and half -width Δν versus temperature introduces huge changes which are associated with the phase transitions originating from the reorientation of the PO4 tetrahedron. Besides, an analysis of the dielectric constants ε‧ and ε″versus temperature at several frequencies shows a distribution of relaxation times. This relaxation is probably due to the change in dynamical state of the K+ cation. The ac conductivity behavior can be understood in terms of the motions of K+ cations along the tunnels which are formed by six-membered rings of MgO4 and PO4 tetrahedron linked by common vertices. The activation energies values obtained from the thermal evolution of the conductivity are: Ea1=0.52 eV (T693 K).

  7. FT-IR and X-ray spectroscopic investigations of Na-diclofenac-cyclodextrins interactions

    Science.gov (United States)

    Bratu, I.; Astilean, S.; Ionesc, Corina; Indrea, E.; Huvenne, J. P.; Legrand, P.

    1998-01-01

    The association of DCF-Na (the salt of the 2-[(2,6-dichlorophenyl)amino]-phenyl-acetic acid) with β-CD (cyclodextrin) in some therapeutic formulas can contribute to the optimisation of the physico-chemical and pharmaceutical properties of the parent drug. The understanding of the interaction between DCF with β-CD represents the objective of this study. FT-IR spectroscopy is one of the methods which clarify the nature of these interactions in complexes of such type. Therefore the changes in FT-IR spectra of binary dispersed systems DCF/ β-CD in physical mixture and coprecipitate from methanol (molar ratios: 1/1, 1/2, 2/3, 3/4, 7/4) were analysed. The analysis of the broadening of the X-ray powder diffraction line has been applied to investigate the average effective crystallite size, the mean square of the microstrain caused by distortions within β-CD crystallite and the fault probability in the binary dispersed DCF/ β-CD coprecipitate system.

  8. Synthesis of Radiation Curable Palm Oil-Based Epoxy Acrylate: NMR and FTIR Spectroscopic Investigations.

    Science.gov (United States)

    Salih, Ashraf M; Ahmad, Mansor Bin; Ibrahim, Nor Azowa; Dahlan, Khairul Zaman Hj Mohd; Tajau, Rida; Mahmood, Mohd Hilmi; Yunus, Wan Md Zin Wan

    2015-08-04

    Over the past few decades, there has been an increasing demand for bio-based polymers and resins in industrial applications, due to their potential lower cost and environmental impact compared with petroleum-based counterparts. The present research concerns the synthesis of epoxidized palm oil acrylate (EPOLA) from an epoxidized palm oil product (EPOP) as environmentally friendly material. EPOP was acrylated by acrylic acid via a ring opening reaction. The kinetics of the acrylation reaction were monitored throughout the reaction course and the acid value of the reaction mixture reached 10 mg KOH/g after 16 h, indicating the consumption of the acrylic acid. The obtained epoxy acrylate was investigated intensively by means of FTIR and NMR spectroscopy, and the results revealed that the ring opening reaction was completed successfully with an acrylation yield about 82%. The UV free radical polymerization of EPOLA was carried out using two types of photoinitiators. The radiation curing behavior was determined by following the conversion of the acrylate groups. The cross-linking density and the hardness of the cured EPOLA films were measured to evaluate the effect of the photoinitiator on the solid film characteristics, besides, the thermal and mechanical properties were also evaluated.

  9. Spectroscopic investigation of plasma electrolytic borocarburizing on q235 low-carbon steel

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Run [Key Laboratory for Beam Technology and Materials Modification of Ministry of Education, College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Beijing Radiation Center, Beijing 100875 (China); Zhenjiang Watercraft College, Zhenjiang 212000, Jiangsu (China); Wang, Bin; Wu, Jie [Key Laboratory for Beam Technology and Materials Modification of Ministry of Education, College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Beijing Radiation Center, Beijing 100875 (China); Xue, Wenbin, E-mail: xuewb@bnu.edu.cn [Key Laboratory for Beam Technology and Materials Modification of Ministry of Education, College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Beijing Radiation Center, Beijing 100875 (China); Jin, Xiaoyue; Du, Jiancheng; Hua, Ming [Key Laboratory for Beam Technology and Materials Modification of Ministry of Education, College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Beijing Radiation Center, Beijing 100875 (China)

    2014-12-01

    Highlights: • The plasma discharge behaviors for PEB/C on steels were evaluated by OES. • Electron temperature, concentration, atomic ionization degree were calculated. • The decomposition mechanism of electrolyte and was analyzed. - Abstract: A plasma electrolytic borocarburizing process (PEB/C) in borax electrolyte with glycerin additive was employed to fabricate a hardening layer on Q235 low-carbon steel. Optical emission spectroscopy (OES) was utilized to investigate the spectroscopy characteristics of plasma discharge around the steel during PEB/C process. Some plasma parameters were calculated in terms of OES. The electron temperature and electron concentration in plasma discharge zone is about 3000–12,000 K and 2 × 10{sup 22} m{sup −3}–1.4 × 10{sup 23} m{sup −3}. The atomic ionization degrees of iron, carbon and boron are 10{sup −16}–10{sup −3}, and 10{sup −23}–10{sup −6}, 10{sup −19}–10{sup −4}, respectively, which depend on discharge time. The surface morphology and cross-sectional microstructure of PEB/C hardening layer were observed, and the electrolyte decomposition and plasma discharge behaviors were discussed.

  10. Spectroscopic investigation of 2.0 μm emission in Ho3+-doped fluoroindate glasses

    International Nuclear Information System (INIS)

    Oliveira, S L; Bell, M J V; Florez, A; Nunes, L A O

    2006-01-01

    In this paper we report the optical characterization of Ho 3+ -doped fluoroindate glasses with the following composition (40 - x)InF 3 -20SrF 2 -16BaF 2 -20ZnF 2 -2GdF 3 -2NaF-xHoF 3 with x = 1.0, 2.0, 2.5, 3.0, 4.0, 5.0, 6.0, 8.0 and 9.0 mol%. This investigation was done by means of absorption, fluorescence and lifetime measurements. The phenomenological intensity parameters Ω λ (λ = 2, 4, 6) were calculated using the standard Judd-Ofelt theory. In order to evaluate potential applications of the 5 I 7 → 5 I 8 Ho 3+ emission at 2.0 μm, the radiative lifetime, total transition rate and emission cross section were determined. The effect of Ho 3+ concentration on the fluorescence intensity and lifetimes was analysed. It was concluded that the non-radiative losses of the 5 I 7 level are mainly due to energy migration among Ho 3+ ions followed by energy transfer to quenching impurities

  11. Spectroscopic investigation of plasma electrolytic borocarburizing on q235 low-carbon steel

    International Nuclear Information System (INIS)

    Liu, Run; Wang, Bin; Wu, Jie; Xue, Wenbin; Jin, Xiaoyue; Du, Jiancheng; Hua, Ming

    2014-01-01

    Highlights: • The plasma discharge behaviors for PEB/C on steels were evaluated by OES. • Electron temperature, concentration, atomic ionization degree were calculated. • The decomposition mechanism of electrolyte and was analyzed. - Abstract: A plasma electrolytic borocarburizing process (PEB/C) in borax electrolyte with glycerin additive was employed to fabricate a hardening layer on Q235 low-carbon steel. Optical emission spectroscopy (OES) was utilized to investigate the spectroscopy characteristics of plasma discharge around the steel during PEB/C process. Some plasma parameters were calculated in terms of OES. The electron temperature and electron concentration in plasma discharge zone is about 3000–12,000 K and 2 × 10 22 m −3 –1.4 × 10 23 m −3 . The atomic ionization degrees of iron, carbon and boron are 10 −16 –10 −3 , and 10 −23 –10 −6 , 10 −19 –10 −4 , respectively, which depend on discharge time. The surface morphology and cross-sectional microstructure of PEB/C hardening layer were observed, and the electrolyte decomposition and plasma discharge behaviors were discussed

  12. Quantitative analysis of Moessbauer backscatter spectra from multilayer films

    International Nuclear Information System (INIS)

    Bainbridge, J.

    1975-01-01

    The quantitative interpretation of Moessbauer backscatter spectra with particular reference to internal conversion electrons has been treated assuming that electron attenuation in a surface film can be satisfactorily described by a simple exponential law. The theory of Krakowski and Miller has been extended to include multi-layer samples, and a relation between the Moessbauer spectrum area and an individual layer thickness derived. As an example, numerical results are obtained for a duplex oxide film grown on pure iron. (Auth.)

  13. Compact cryogenic attachment for Moessbauer spectroscopy with microwave excitation

    International Nuclear Information System (INIS)

    Didenko, N.P.; Amelin, G.P.; Zelentsov, V.I.; Kaminskii, V.L.; Fedorov, N.P.; Fal'kovich, V.M.

    1989-01-01

    A compact cryogenic attachment is described that is placed on a standard helium Dewar flask and permits recording of Moessbauer spectra with excitation by millimeter-band radiation in the temperature range of 4.3-300 K. The design of the attachment allows operation with various gamma-radiation detectors in both horizontal and vertical Moessbauer measurement geometries and its placement in superconducting magnets with a large warm zone

  14. Moessbauer analysis of recent ceramic finds from Chavin

    International Nuclear Information System (INIS)

    Wagner, U.; Wagner, F.E.; Stockklauser, A.; Salazar, R.; Riederer, J.; Kauffmann-Doig, F.

    1986-01-01

    A large number of ceramic sherds from Chavin, Peru, as well as recent clay samples from the same region have been studied by Moessbauer spectroscopy. The changes of the Moessbauer spectra of the clay were studied as a function of firing temperature and atmosphere. From a comparison of these data with those from the sherds one can make estimates of the precolumbian firing conditions. (Auth.)

  15. Moessbauer study of sediment alteration produced by heat treatment

    International Nuclear Information System (INIS)

    Labenski de Kanter, F.; Duhalde, S.; Saragovi, C.; March, R.J.

    1994-01-01

    Pincenvent (France) cooking-place silt-like sediments have been studied by using Moessbauer spectroscopy and characterized by using X-ray diffraction (XRD). The sediments were treated at 400, 600, 800 and 1000 C under oxidizing conditions. We discuss the results and we suggest a ''Moessbauer thermometer'' to be used to recognize the temperatures and atmosphere ancient people used in their cooking-places. (orig.)

  16. The Moessbauer effect in binary tin chalcogenides of tin 119

    International Nuclear Information System (INIS)

    Ortalli, I.; Fano, V.

    1975-01-01

    The values of the isomer shift, quadrupole splitting, Moessbauer coefficient, Debye temperature for the tin chalcogenides SnS. SnSe, SnTe are tabulated for the temperatures 80 and 300 K. Temperature dependences of the Moessbauer coefficient and of the effective Debye temperature for SnS, SnSe and SnTe in a temperature range of 78 to 300 K are presented. (Z.S.)

  17. Spectroscopic investigation of the charge dynamics of heavy ions penetrating solid and gaseous targets

    International Nuclear Information System (INIS)

    Korostiy, S.

    2007-01-01

    This thesis presents the study of the slowing down process of fast heavy ions inside matter. In the framework of this research, the influence of the target density on the stopping process is investigated. Experiments on the interaction of 48 Ca 6+ - 48 Ca 10+ and 26 Mg 5+ ion beams with initial energies of 11.4 MeV/u and 5.9 MeV/u with solid and gaseous targets have been carried out. A novel diagnostic method, X-ray spectroscopy of K-shell projectile radiation, is used to determine the ion charge state in relation to its velocity during the penetration of fast heavy ions inside the stopping material. A spatially resolved analysis of the projectile and target radiation in solids is achieved for the first time. The application of low-density silica aerogels as stopping media provided a stretching of the ion stopping length by 20 - 100 times in comparison with solid quartz. The Doppler Effect observed on the projectile K-shell spectra is used to calculate the ion velocity in dependence on the ion penetration depth in the target material. A comparative analysis of K α spectra of fast heavy ions is performed in solid (silica aerogels) and gaseous targets (Ar and Ne gases) at the same ion energy. It is shown that the dominant role of collisions in dense matter leads to an increase of the effective ionization cross section at high ion velocity and suppression of the electron capture to the projectile ion excited states at low ion velocity. As a result, an increase of the ion charge state in dense matter is observed. The experimentally detected effects are interpreted with numerical calculations of the projectile population kinetics, which are in good agreement with measurements. (orig.)

  18. Polarized XANES and EXAFS spectroscopic investigation into copper(II) complexes on vermiculite

    Science.gov (United States)

    Furnare, Luca J.; Vailionis, Arturas; Strawn, Daniel G.

    2005-11-01

    Interaction of heavy metals with clay minerals can dominate solid-solution reactions in soil, controlling the fate of the metals in the environment. In this study we used powdered and polarized extended X-ray absorption fine structure (EXAFS) spectroscopy and X-ray absorption near edge spectroscopy (XANES) to investigate Cu sorbed on Llano vermiculite and compare the results to reported Cu sorption mechanism on Wyoming (WY) smectite and reduced South African (SA) vermiculite. Analysis of the Cu K-edge spectra revealed that Cu sorbed on Llano vermiculite at high ionic strength ( I) has the greatest degree of covalent bond character, followed by Cu sorbed on montmorillonite at high I, and Cu sorbed on reduced SA vermiculite at high I. Cu sorbed on clay minerals at low I has the least covalent character. EXAFS data from Cu sorbed Ca- and K-equilibrated Llano vermiculites showed the presence of a second-shell Al, Si, or Mg backscatterer at 3.02 Å. This distance is consistent with Cu sorbing via a corner-sharing monodentate or bidentate bond. Polarized XANES and EXAFS results revealed that the angle between the Cu atom and the mineral sorption sites is 68° with respect to the [001] direction. From the bond angle and the persistence of the second-shell backscatterer when the interlayer is collapsed (K-equilibration), we conclude that Cu adsorption on the Llano vermiculite is not occurring in the interlayer but rather Cu is adsorbing onto the edges of the vermiculite. Results from this research provide evidence that Cu forms inner-sphere and outer-sphere complexes on clay minerals, and does not form the vast multinuclear surface precipitates that have been observed for Co, Zn, and Ni.

  19. Preparation, Spectroscopic Investigation and Biological Activity of New Mixed Ligand Chelates

    International Nuclear Information System (INIS)

    Alassbaly, F.S.; Ajaily, M.M.E.

    2014-01-01

    Preparation and investigation of new Co(II), Ni(II), Zn(II) and Cr(III) chelates with mixed ligands including Schiff base (L1) formed from the condensation of 4-dimethylaminobenzaldehyde with 2-aminophenol and anthranilic acid (L2) were studied. The obtained Schiff base and mixed ligand chelates were subjected to several physiochemical techniques, in terms of CHN elemental analyses, molar conductivity, magnetic moment measurements, infrared, proton nuclear magnetic resonance, electronic and mass spectra. The analytical data showed the formation of the Schiff base compound and the ratio of metal to ligands of the chelates are 1:1:1(M:L1:L2). The infrared spectral data exhibited that the used ligands behaving as bidentate ligands towards the metal ions. The proton nuclear magnetic resonance spectral data showed the signals of the active groups in the ligands which entered in chelation with Zn(II) metal ion. The electronic spectral results showed the existence of pie (phenyl ring) and n = pie (C=N) of the ligands and suggested the geometrical structures of the chelates. Meanwhile, the mass spectral data revealed the fragmentations of the Schiff base, anthranilic acid and their Ni(II) mixed ligand chelate has been preformed the only chelate conducted for justification. All the prepared mixed chelates were non-electrolyte in nature. The antibacterial activity of the Schiff base, anthranilic acid, metal salts and mixed ligand chelates were studied and found to be that mixed ligand chelates have the most biological activity in comparison to the free ligands and salts. (author)

  20. Spectroscopic investigation of the charge dynamics of heavy ions penetrating solid and gaseous targets

    Energy Technology Data Exchange (ETDEWEB)

    Korostiy, S

    2007-01-15

    This thesis presents the study of the slowing down process of fast heavy ions inside matter. In the framework of this research, the influence of the target density on the stopping process is investigated. Experiments on the interaction of {sup 48}Ca{sup 6+}-{sup 48}Ca{sup 10+} and {sup 26}Mg{sup 5+} ion beams with initial energies of 11.4 MeV/u and 5.9 MeV/u with solid and gaseous targets have been carried out. A novel diagnostic method, X-ray spectroscopy of K-shell projectile radiation, is used to determine the ion charge state in relation to its velocity during the penetration of fast heavy ions inside the stopping material. A spatially resolved analysis of the projectile and target radiation in solids is achieved for the first time. The application of low-density silica aerogels as stopping media provided a stretching of the ion stopping length by 20 - 100 times in comparison with solid quartz. The Doppler Effect observed on the projectile K-shell spectra is used to calculate the ion velocity in dependence on the ion penetration depth in the target material. A comparative analysis of K{sub {alpha}} spectra of fast heavy ions is performed in solid (silica aerogels) and gaseous targets (Ar and Ne gases) at the same ion energy. It is shown that the dominant role of collisions in dense matter leads to an increase of the effective ionization cross section at high ion velocity and suppression of the electron capture to the projectile ion excited states at low ion velocity. As a result, an increase of the ion charge state in dense matter is observed. The experimentally detected effects are interpreted with numerical calculations of the projectile population kinetics, which are in good agreement with measurements. (orig.)

  1. Spectroscopic investigation on the interaction of some surfactant-cobalt(III) complexes with serum albumins

    Energy Technology Data Exchange (ETDEWEB)

    Vignesh, Gopalaswamy; Nehru, Selvan; Manojkumar, Yesaiyan; Arunachalam, Sankaralingam, E-mail: arunasurf@yahoo.com

    2014-01-15

    The interaction of HSA/BSA with single and double chain surfactant-cobalt(III) complexes, cis-[Co(phen){sub 2}(UA)Cl](ClO{sub 4}){sub 2}·2H{sub 2}O (1), cis-[Co(phen){sub 2}(UA){sub 2}](ClO{sub 4}){sub 3}·2H{sub 2}O (2), cis-[Co(en){sub 2}(UA)Cl](ClO{sub 4}){sub 2}·2H{sub 2}O (3), cis-[Co(en){sub 2}(UA){sub 2}](ClO{sub 4}){sub 3}·2H{sub 2}O (4), were investigated by steady state fluorescence, UV–vis absorption, synchronous, three dimensional fluorescence and circular dichroism spectroscopy. The results reveal that the quenching of HSA/BSA by all the four complexes takes place through static mechanism. The binding constant, binding sites and thermodymamic parameter were calculated. The results illustrate that the double chain surfactant-cobalt(III) complexes bind more strongly than the corresponding single chain complexes. The distance between donor (HSA/BSA) and acceptor (surfactant-cobalt(III) complexes) was obtained according to FRET. The results of synchronous, three dimensional and circular dichroism spectroscopy studies show that all the complexes caused considerable amount of conformational and some amount of environment changes in HSA/BSA. -- Highlights: • Binding of single and double chain surfactant-cobalt(III) complexes with serum albumins. • Hydrophobic attraction plays a major role in the binding process. • Binding induces considerable amount of conformational changes in the protein.

  2. Photoluminescence and positron annihilation spectroscopic investigation on a H+ irradiated ZnO single crystal

    Science.gov (United States)

    Sarkar, A.; Chakrabarti, Mahuya; Sanyal, D.; Bhowmick, D.; Dechoudhury, S.; Chakrabarti, A.; Rakshit, Tamita; Ray, S. K.

    2012-08-01

    Low temperature photoluminescence and room temperature positron annihilation spectroscopy have been employed to investigate the defects incorporated by 6 MeV H+ ions in a hydrothermally grown ZnO single crystal. Prior to irradiation, the emission from donor bound excitons is at 3.378 eV (10 K). The irradiation creates an intense and narrow emission at 3.368 eV (10 K). The intensity of this peak is nearly four times that of the dominant near band edge peak of the pristine crystal. The characteristic features of the 3.368 eV emission indicate its origin as a ‘hydrogen at oxygen vacancy’ type defect. The positron annihilation lifetime measurement reveals a single component lifetime spectrum for both the unirradiated (164 ± 1 ps) and irradiated crystal (175 ± 1 ps). It reflects the fact that the positron lifetime and intensity of the new irradiation driven defect species are a little higher compared to those in the unirradiated crystal. However, the estimated defect concentration, even considering the high dynamic defect annihilation rate in ZnO, comes out to be ˜4 × 1017 cm-3 (using SRIM software). This is a very high defect concentration compared to the defect sensitivity of positron annihilation spectroscopy. A probable reason is the partial filling of the incorporated vacancies (positron traps), which in ZnO are zinc vacancies. The positron lifetime of ˜175 ps (in irradiated ZnO) is consistent with recent theoretical calculations for partially hydrogen-filled zinc vacancies in ZnO. Passivation of oxygen vacancies by hydrogen is also reflected in the photoluminescence results. A possible reason for such vacancy filling (at both Zn and O sites) due to irradiation has also been discussed.

  3. Photoluminescence and positron annihilation spectroscopic investigation on a H+ irradiated ZnO single crystal

    International Nuclear Information System (INIS)

    Sarkar, A; Chakrabarti, Mahuya; Sanyal, D; Bhowmick, D; Dechoudhury, S; Chakrabarti, A; Rakshit, Tamita; Ray, S K

    2012-01-01

    Low temperature photoluminescence and room temperature positron annihilation spectroscopy have been employed to investigate the defects incorporated by 6 MeV H + ions in a hydrothermally grown ZnO single crystal. Prior to irradiation, the emission from donor bound excitons is at 3.378 eV (10 K). The irradiation creates an intense and narrow emission at 3.368 eV (10 K). The intensity of this peak is nearly four times that of the dominant near band edge peak of the pristine crystal. The characteristic features of the 3.368 eV emission indicate its origin as a ‘hydrogen at oxygen vacancy’ type defect. The positron annihilation lifetime measurement reveals a single component lifetime spectrum for both the unirradiated (164 ± 1 ps) and irradiated crystal (175 ± 1 ps). It reflects the fact that the positron lifetime and intensity of the new irradiation driven defect species are a little higher compared to those in the unirradiated crystal. However, the estimated defect concentration, even considering the high dynamic defect annihilation rate in ZnO, comes out to be ∼4 × 10 17 cm -3 (using SRIM software). This is a very high defect concentration compared to the defect sensitivity of positron annihilation spectroscopy. A probable reason is the partial filling of the incorporated vacancies (positron traps), which in ZnO are zinc vacancies. The positron lifetime of ∼175 ps (in irradiated ZnO) is consistent with recent theoretical calculations for partially hydrogen-filled zinc vacancies in ZnO. Passivation of oxygen vacancies by hydrogen is also reflected in the photoluminescence results. A possible reason for such vacancy filling (at both Zn and O sites) due to irradiation has also been discussed. (paper)

  4. Photoluminescence and positron annihilation spectroscopic investigation on a H(+) irradiated ZnO single crystal.

    Science.gov (United States)

    Sarkar, A; Chakrabarti, Mahuya; Sanyal, D; Bhowmick, D; Dechoudhury, S; Chakrabarti, A; Rakshit, Tamita; Ray, S K

    2012-08-15

    Low temperature photoluminescence and room temperature positron annihilation spectroscopy have been employed to investigate the defects incorporated by 6 MeV H(+) ions in a hydrothermally grown ZnO single crystal. Prior to irradiation, the emission from donor bound excitons is at 3.378 eV (10 K). The irradiation creates an intense and narrow emission at 3.368 eV (10 K). The intensity of this peak is nearly four times that of the dominant near band edge peak of the pristine crystal. The characteristic features of the 3.368 eV emission indicate its origin as a 'hydrogen at oxygen vacancy' type defect. The positron annihilation lifetime measurement reveals a single component lifetime spectrum for both the unirradiated (164 ± 1 ps) and irradiated crystal (175 ± 1 ps). It reflects the fact that the positron lifetime and intensity of the new irradiation driven defect species are a little higher compared to those in the unirradiated crystal. However, the estimated defect concentration, even considering the high dynamic defect annihilation rate in ZnO, comes out to be ∼4 × 10(17) cm(-3) (using SRIM software). This is a very high defect concentration compared to the defect sensitivity of positron annihilation spectroscopy. A probable reason is the partial filling of the incorporated vacancies (positron traps), which in ZnO are zinc vacancies. The positron lifetime of ∼175 ps (in irradiated ZnO) is consistent with recent theoretical calculations for partially hydrogen-filled zinc vacancies in ZnO. Passivation of oxygen vacancies by hydrogen is also reflected in the photoluminescence results. A possible reason for such vacancy filling (at both Zn and O sites) due to irradiation has also been discussed.

  5. Spectroscopic investigation of the structures of dialkyl tartrates and their cyclodextrin complexes.

    Science.gov (United States)

    Zhang, Peng; Polavarapu, Prasad L

    2007-02-08

    Structures of three dialkyl tartrates, namely, dimethyl tartrate, diethyl tartrate, and diisopropyl tartrate, in CCl4, dimethyl sulfoxide (DMSO)/DMSO-d6, and H2O/D2O solvents have been investigated using vibrational absorption (VA), vibrational circular dichroism (VCD), and optical rotatory dispersion (ORD). VA, VCD, and ORD spectra are found to be dependent on the solvent used. Density functional theory (DFT) calculations are used to interpret the experimental data in CCl4 and DMSO. The trans-COOR conformer with hydrogen bonding between the OH group and the C=O group attached to the same chiral carbon is dominant for dialkyl tartrates both in vacuum and in CCl4. The experimental VA, VCD, and ORD data of dialkyl-D-tartrates in CCl4 correlated well with those predicted for dimethyl-(S,S)-tartrate molecule as both isolated and solvated in CCl4. In DMSO solvent, dialkyl tartrate molecules favor formation of intermolecular hydrogen bonding with DMSO molecules. Clusters of dimethyl-(S,S)-tartrate, with one molecule of dimethyl-(S,S)-tartrate hydrogen bonded to two DMSO molecules, are used for the DFT calculations. A trans-COOR cluster and a trans-H cluster are needed to obtain a reasonable agreement between the predicted and experimental data of dimethyl tartrate in DMSO solvent. VA, VCD, and optical rotations are also measured for dialkyl tartrate-cyclodextrin complexes. It is noted that these properties are barely affected by complexation of dialkyl tartrates with cyclodextrins, indicating weak interaction between tartrates and cyclodextrin. Binding constants of alpha-CD and beta-CD with diethyl L-tartrate in both H2O and DMSO have been determined using isothermal titration calorimetry technique. The smaller binding constants (less than 100) confirmed the weak interaction between tartrates and cyclodextrin in the solution state.

  6. Spectroscopic investigations of the vacuum ultra-violet emission in a normal-incidence region from JFT-2 tokamak discharge

    International Nuclear Information System (INIS)

    Kasai, Satoshi; Funahashi, Akimasa; Tazima, Teruhiko; Nakamura, Yukiharu

    1976-10-01

    Spectroscopic investigations have been performed in the wavelength range of 600 to 2300 A on a JFT-2 plasma with peak plasma current 76 kAmp, toroidal magnetic field 9 kGauss, and electron and ion temperature 300--350 eV and 200 eV respectively. Time-histories were measured of spectral lines radiating from oxygen and carbon impurities. The radial profiles of CV(2270.9 A) and OVII(1623.3 A) lines were measured, which showed the spatial distributions with cylindrical shells. The experimental results are compared with the theoretical ones calculated numerically by using a plasma model based on the coronal equilibrium and particle loss due to the diffusion process. Time-variation of the electron temperature during the initial phase of discharge are estimated from the measured time-histories of impurity lines, and the peak electron temperature agrees with that determined from measurements of the ruby laser scattering. The spatial distributions of CV and OVII lines are reasonably explained by the inward-diffusion flux and the diffusion flux, which is several ten times of Pfirsch-Schlueter's one. (auth.)

  7. Time and space resolved spectroscopic investigation during anode plume formation in a high-current vacuum arc

    Science.gov (United States)

    Khakpour, A.; Methling, R.; Uhrlandt, D.; Franke, St.; Gortschakow, S.; Popov, S.; Batrakov, A.; Weltmann, K. D.

    2017-05-01

    This paper presents time and space resolved results of spectroscopic measurements during the formation of an anode plume in the late current pulse phase of a high-current vacuum arc. The formation of the anode plume is investigated systematically based on the occurrence of high-current anode spots, depending on gap distance and current for AC 100 Hz and CuCr7525 butt contacts with a diameter of 10 mm. The anode plume is observed after the extinction of anode spot type 2 in which both the anode and cathode are active. It is concluded from the spatial profiles of the atomic and ionic radiation, parallel and perpendicular to anode surface, that the inner part of the plume is dominated by Cu I radiation, whereas a halo of light emitted by Cu II covers the plume. The radiation intensity of Cu III lines is quite low across the whole anode plume. Upper level excited state densities corresponding to Cu I lines at 510.55, 515.32, 521.82, 578.21 nm are determined. The temporal evolution of the resulting excitation temperature in the centre of the plume varies from 8500 K to 6000 K at 500 µs to 100 µs before current zero, respectively. The density calculated for Cu I at position in the plume is in the range of 1-5  ×  1019 m-3.

  8. Investigation of the interaction of high intensity laser light with solids and hot plasma using X-ray spectroscopic technique

    International Nuclear Information System (INIS)

    Zigler, A.

    1978-06-01

    This work investigates the properties of high power laser-produced plasmas by developing and applying x-ray spectroscopic methods which utilize spatial resolution. The shadow techniques which were developed in this work yield a high spatial resolution of 5-15μm together with an adequate X-ray spectral resolution for single shots of laser power flux of 2.10 13 W/cm -2 . The intensity distribution in the source is calculated from the partial shadow by numerical differentiation. The main advantage of the present method is the ability to obtain spatial information simultaneously for strong and weak spectral lines for a single shot of medium power laser. Plasma parameters were derived from H-like and He-like lines and their inner-shell satellites, which were obtained from Mg, Al and Si targets. Using shadow techniques, the sizes of the emitting regions of the various spectral lines were measured; the spatial variation of the ionization stage, the electron temperature and density were investigated. A constant electron temperature of (250+-50)eV and electron density scale-length of about 50μm were derived for an expanding plasma. An experimental investigation of the possible origin and the mechanisms responsible for the Ksub(α) radiation in laser-produced plasma was carried out. It is shown that the Ksub(α) radiation was generated by fast suprathermal electrons and originated inside the target behind the interaction zone of the shock and heat waves. Energy penetration depth and hot plasma expansion were tested by using multilayer targets, thin foils and achieving a two-dimensional spatially resolved X-ray Al spectrum. (B.G.)

  9. Structure and function of proteins investigated by crystallographic and spectroscopic time-resolved methods

    Science.gov (United States)

    Purwar, Namrta

    crystal. Time-resolved X-ray data collected at pH's of 4, 7 and 9 demonstrate that pH alters the kinetics of the PYP photocycle dramatically. At pH 4 the photocycle lasts almost one order of magnitude longer in time compared to pH 7. The final intermediate that accumulates at both pH 7 and pH 4 is absent at pH 9. Results from the dose- and the pH-dependent time-resolved crystallographic experiments show that it is imperative to carefully control the conditions under which time-resolved data are collected. With these considerations we collected a comprehensive time-series from nanoseconds to seconds at 14 different temperature settings from -40 °C to 70 °C. Results from time-resolved crystallography are corroborated by employing time-resolved absorption spectroscopy. For this, absorption spectra on crystals and solution are collected by a fast micro-spectrophotometer custom-designed in our lab. We identify kinetic phases of the PYP photocycle at all 14 temperature settings. Relaxation times associated with these phases are temperature-dependent and can be fit by the Van't Hoff-Arrhenius equation. Kinetic modeling yields entropy and enthalpy values at the barriers of the activation solely from the time-resolved crystallographic data. With this, we advance crystallography to a new frontier: the determination of free energy surfaces. Investigating enzymatic reactions can be challenging, because they are non-cyclic. After one turnover product must be washed away and substrate must be reloaded. A promising approach for routine application can be envisioned at the new 4th generation X-ray sources, such as X-ray free electron lasers (XFELs). With our results we set the scene to comprehensively investigate all kinds of enzymatic reactions with these instruments.

  10. Smooth driving of Moessbauer electromechanical transducers

    Energy Technology Data Exchange (ETDEWEB)

    Veiga, A., E-mail: veiga@fisica.unlp.edu.ar; Mayosky, M. A. [Universidad Nacional de La Plata, Facultad de Ingenieria (Argentina); Martinez, N.; Mendoza Zelis, P.; Pasquevich, G. A.; Sanchez, F. H. [Instituto de Fisica La Plata, CONICET (Argentina)

    2011-11-15

    Quality of Moessbauer spectra is strongly related to the performance of source velocity modulator. Traditional electromechanical driving techniques demand hard-edged square or triangular velocity waveforms that introduce long settling times and demand careful driver tuning. For this work, the behavior of commercial velocity transducers and drive units was studied under different working conditions. Different velocity reference waveforms in constant-acceleration, constant-velocity and programmable-velocity techniques were tested. Significant improvement in spectrometer efficiency and accuracy was achieved by replacing triangular and square hard edges with continuous smooth-shaped transitions. A criterion for best waveform selection and synchronization is presented and attainable enhancements are evaluated. In order to fully exploit this driving technique, a compact microprocessor-based architecture is proposed and a suitable data acquisition system implementation is presented. System linearity and efficiency characterization are also shown.

  11. Moessbauer effect and TEM in mineralogy

    International Nuclear Information System (INIS)

    Ferrow, E.A.

    1994-01-01

    Moessbauer effect (ME) provides useful information on oxidation state, co-ordination number, co-ordination state, site occupancies, and magnetic properties of Fe-bearing phases. The information gained by ME together with the information provided by other conventional techniques is used to extract temperature, pressure, and kinetics of rock-forming processes. Nevertheless, ME requires that the phases studied are homogeneous over an extremely large volume and that Fe is a major component of the system. Transmission electron microscopy (TEM), on the other hand, provides similar information over a very small volume for a system of any component. However, present TEM spectrometers do not provide sufficient resolution to detect the mixed oxidation state. A complete characterisation of phases in rocks requires, therefore, that conventional techniques be combined with TEM. (orig.)

  12. Current status of application of Moessbauer effect in geology and mineralogy

    International Nuclear Information System (INIS)

    Xu Binfu

    1995-01-01

    The paper briefly introduces the current status of the application of Moessbauer effect in geology and mineralogy. It shows that geology and mineralogy are very active fields in the application of Moessbauer effect

  13. An ultrafast spectroscopic and quantum mechanical investigation of multiple emissions in push-pull pyridinium derivatives bearing different electron donors.

    Science.gov (United States)

    Carlotti, B; Benassi, E; Cesaretti, A; Fortuna, C G; Spalletti, A; Barone, V; Elisei, F

    2015-08-28

    A joint experimental and theoretical approach, involving state-of-the-art femtosecond fluorescence up-conversion measurements and quantum mechanical computations including vibronic effects, was employed to get a deep insight into the excited state dynamics of two cationic dipolar chromophores (Donor-π-Acceptor(+)) where the electron deficient portion is a N-methyl pyridinium and the electron donor a trimethoxyphenyl or a pyrene, respectively. The ultrafast spectroscopic investigation, and the time resolved area normalised emission spectra in particular, revealed a peculiar multiple emissive behaviour and allowed the distinct emitting states to be remarkably distinguished from solvation dynamics, occurring in water in a similar timescale. The two and three emissions experimentally detected for the trimethoxyphenyl and pyrene derivatives, respectively, were associated with specific local emissive minima in the potential energy surface of S1 on the ground of quantum-mechanical calculations. A low polar and planar Locally Excited (LE) state together with a highly polar and Twisted Intramolecular Charge Transfer (TICT) state is identified to be responsible for the dual emission of the trimethoxyphenyl compound. Interestingly, the more complex photobehaviour of the pyrenyl derivative was explained considering the contribution to the fluorescence coming not only from the LE and TICT states but also from a nearly Planar Intramolecular Charge Transfer (PICT) state, with both the TICT and the PICT generated from LE by progressive torsion around the quasi-single bond between the methylpyridinium and the ethene bridge. These findings point to an interconversion between rotamers for the pyrene compound taking place in its excited state against the Non-equilibrated Excited Rotamers (NEER) principle.

  14. Ultrafast internal rotational dynamics of the azido group in (4S)-azidoproline: Chemical exchange 2DIR spectroscopic investigations

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kyung-Koo; Park, Kwang-Hee; Joo, Cheonik; Kwon, Hyeok-Jun; Han, Hogyu [Department of Chemistry, Korea University, Seoul 136-701 (Korea, Republic of); Ha, Jeong-Hyon [Multidimensional Spectroscopy Laboratory, Korea Basic Science Institute, Seoul 136-713 (Korea, Republic of); Park, Sungnam, E-mail: spark8@korea.ac.kr [Department of Chemistry, Korea University, Seoul 136-701 (Korea, Republic of); Multidimensional Spectroscopy Laboratory, Korea Basic Science Institute, Seoul 136-713 (Korea, Republic of); Cho, Minhaeng, E-mail: mcho@korea.ac.kr [Department of Chemistry, Korea University, Seoul 136-701 (Korea, Republic of); Multidimensional Spectroscopy Laboratory, Korea Basic Science Institute, Seoul 136-713 (Korea, Republic of); Research Institute for Natural Sciences, Korea University, Seoul 136-713 (Korea, Republic of)

    2012-03-02

    Graphical abstract: Internal rotational dynamics of the azido group in SA (Ac-(4S)-Azp-NHMe) was studied in real time by using ultrafast 2DIR spectroscopic method. The time constant of the internal rotation around the C{sup {gamma}}-N{sup {delta}} bond in SA was determined to be {tau}{sub ir} = 5.1 ps, which is found to be much faster than that around the C-C bond in ethane. Highlights: Black-Right-Pointing-Pointer Femtosecond two-dimensional IR spectroscopy of internal rotational dynamics. Black-Right-Pointing-Pointer Stereo-electronic effects of azido group in azido-derivatized proline peptide. Black-Right-Pointing-Pointer The timescale of the azido group internal rotation is about 5.1 ps. - Abstract: The azido group in 4-azidoproline (Azp) derivative, SA (Ac-(4S)-Azp-NHMe), can form an intramolecular electrostatic interaction with the backbone peptide in the s-trans and C{sup {gamma}}-endo conformations of SA. As a result, the azido group exists as two forms, bound and free, which are defined by the presence and absence of such interaction, respectively. The bound and free azido forms are spectrally resolved in the azido IR spectrum of SA in CHCl{sub 3}. Using the two-dimensional infrared (2DIR) and polarization-controlled IR pump-probe methods, we investigated the internal rotational and orientational relaxation dynamics of the azido group and determined the internal rotational time constant of the azido group to be 5.1 ps. The internal rotational motion is found to be responsible for the early part of the orientational relaxation of the azido group in SA. Thus, the femtosecond 2DIR spectroscopy is shown to be an ideal tool for studying ultrafast conformational dynamics of SA.

  15. Molecular interaction of 2,4-diacetylphloroglucinol (DAPG) with human serum albumin (HSA): The spectroscopic, calorimetric and computational investigation

    Science.gov (United States)

    Pragna Lakshmi, T.; Mondal, Moumita; Ramadas, Krishna; Natarajan, Sakthivel

    2017-08-01

    Drug molecule interaction with human serum albumin (HSA) affects the distribution and elimination of the drug. The compound, 2,4-diacetylphloroglucinol (DAPG) has been known for its antimicrobial, antiviral, antihelminthic and anticancer properties. However, its interaction with HSA is not yet reported. In this study, the interaction between HSA and DAPG was investigated through steady-state fluorescence, time-resolved fluorescence (TRF), circular dichroism (CD), Fourier transform infrared (FT-IR) spectroscopy, isothermal titration calorimetry (ITC), molecular docking and molecular dynamics simulation (MDS). Fluorescence spectroscopy results showed the strong quenching of intrinsic fluorescence of HSA due to interaction with DAPG, through dynamic quenching mechanism. The compound bound to HSA with reversible and moderate affinity which explained its easy diffusion from circulatory system to target tissue. The thermodynamic parameters from fluorescence spectroscopic data clearly revealed the contribution of hydrophobic forces but, the role of hydrogen bonds was not negligible according to the ITC studies. The interaction was exothermic and spontaneous in nature. Binding with DAPG reduced the helical content of protein suggesting the unfolding of HSA. Site marker fluorescence experiments revealed the change in binding constant of DAPG in the presence of site I (warfarin) but not site II marker (ibuprofen) which confirmed that the DAPG bound to site I. ITC experiments also supported this as site I marker could not bind to HSA-DAPG complex while site II marker was accommodated in the complex. In silico studies further showed the lowest binding affinity and more stability of DAPG in site I than in site II. Thus the data presented in this study confirms the binding of DAPG to the site I of HSA which may help in further understanding of pharmacokinetic properties of DAPG.

  16. Moessbauer spectroscopy of metals from birth to death

    Energy Technology Data Exchange (ETDEWEB)

    Fujita, Francisco Eiichi [Osaka University (Japan)

    1998-12-15

    In today's metallurgy, precision techniques, such as X-ray and electron diffraction, electron microscopy, infrared spectroscopy and electron probe micro-analyzer, are being indispensably used, and, comparing to them, Moessbauer spectroscopy is not inferior at all in usefulness, convenience and cost benefit. Actually, however, it is not yet popular among the metallurgists probably because people believe that the Moessbauer effect is a difficult physics, radioactive sources are difficult to handle, and spectral analyses are complicated. These beliefs are in fact groundless and must be dissolved for further diffusion of this useful Moessbauer technique in metals and other industries.The present introductory talk intends to help people's better understanding and no anxiety for using the Moessbauer spectroscopy by showing how it can be applied to various problems of metals and alloys from their birth to the end, that is, from the study of minerals and ores before smelting to that of corrosion and other failures.Firstly, the principle of Moessbauer spectroscopy will be explained with simplest illustrations together with simple pictures of apparatuses including the high temperature furnace and the high pressure cell.In the second will be shown typical examples of Moessbauer patterns of magnetite, carbon steel and other alloys, with indications of how to analyze the seemingly complicated spectra. Some other examples will be shown with special apparatuses easy to measure. The usefulness and convenience of Moessbauer spectroscopy will be understood again from these examples. More examples will be on amorphous alloys and other advanced materials.

  17. The effect of decaying atomic states on integral and time differential Moessbauer spectra

    International Nuclear Information System (INIS)

    Kankeleit, E.

    1975-01-01

    Moessbauer spectra for time dependent monopole interaction have been calculated for the case that the nuclear transition feeding the Moessbauer state excites an electric state of the atom. This is assumed to decay in a time comparable with the lifetime of the Moessbauer state. Spectra have been calculated for both time differential and integral experiments. (orig.) [de

  18. Isomeric shift compensation when using resonance detectors in Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Irkaev, S.M.; Semenkin, V.A.; Sokolov, M.M.

    1981-01-01

    Method for compensation of isomeric shift of lines observed during operation of resonance detectors being part of spectrometers of nuclear gamma resonance is suggested. A flowsheet of device permitting to realize the method described is given. The method is based on using the Doppler effect. A source of resonance radiation is moved at a constant velocity, which is choosen so as to compensate energy shift of lines of the source and convertors of the resonance detector. The absorber under investigation is put in motion with a constant acceleration. The resonance detector signals are amplified selected according to amplitude by a discriminator and come to the input of multichannel analyzer operating in the regime of subsequent scaling. Analysis of experimental spectra obtained at velocities of source movement from 0 to +3 mm/s shows that value of resonance absorption effect drops as increasing energy shift in the source-converter system. It is concluded that application of the method described will permit to considerably extend the field of application of resonance detectors in the Moessbauer spectroscopy and investigate in practice all the isotopes having converted transitions [ru

  19. Synthesis and IR spectroscopic investigation of solvated complexes of dioxomolybdenum (6) with salicylal-S-methyl isothiosemicarbazone

    International Nuclear Information System (INIS)

    Abramenko, V.L.; Sergienko, V.S.

    1996-01-01

    The complex of MoO 2 L (H 2 L-S-methylizothiosemicarbazone of salicyl aldehyde) and its seven solvated derivatives MoO 2 LxSolv, have been synthesized, their IR spectroscopic study being conducted. The conclusions on the structure of the complexes studied are confirmed by ata of x-ray diffraction analysis. Refs. 4, tabs. 1

  20. Micro-spectroscopic investigation of valence change processes in resistive switching SrTiO3 thin films

    International Nuclear Information System (INIS)

    Koehl, Annemarie

    2014-01-01

    Due to physical limitations of the currently used flash memory in terms of writing speed and scalability, new concepts for data storage attract great interest. A possible alternative with promising characteristics are so-called ''Resistive Random Access Memories'' (ReRAM). These memory devices are based on the resistive switching effect where the electrical resistance of a metal-insulator-metal (MIM) structure can be switched reversibly by a current or voltage pulse. Although this effect attracted wide scientific as well as commercial interest, up to now the it is not fully understood on a microscopic scale. Consequently, in this work the chemical and physical modifications caused by the resistive switching process are studied by spectroscopic techniques. As most switching models predict a strongly localized rather than a homogeneous effect, advanced micro-spectroscopy techniques are employed where additionally the lateral structure of the sample is imaged. In this work Fe-doped SrTiO 3 films are used as model material due to the thorough understanding of their defect chemistry. The epitaxial thin films are prepared by pulsed laser deposition. In a first approach, transmission X-ray microscopy is employed to study the bulk properties of ReRAM devices. At first, a new procedure for sample preparation based on a selective etching process is developed in order to realize photon-transparent samples. Investigations of switched devices reveal a significant contribution of Ti 3+ states within growth defects. In contrast to the indirect evidence in previous studies, this observation directly confirms that the resistance change is based on a local redox-process. The localization of the switching process within the growth defects is explained by a self-accelerating process due to Joule heating within the pre-reduced defects. In a second approach, after removal of the top electrode the chemical and electronic structure of the former interface between the

  1. Spectroscopic investigation of complexation of Cm(III) und Eu(III) with partitioning-relevant N-donor ligands

    International Nuclear Information System (INIS)

    Bremer, Antje

    2014-01-01

    The separation of trivalent actinides and lanthanides is an essential part of the development of improved nuclear fuel cycles. Liquid-liquid extraction is an applicable technique to achieve this separation. Due to the chemical similarity and the almost identical ionic radii of trivalent actinides and lanthanides this separation is, however, only feasible with highly selective extracting agents. It has been proven that molecules with soft sulphur or nitrogen donor atoms have a higher affinity for trivalent actinides. In the present work, the complexation of Cm(III) and Eu(III) with N-donor ligands relevant for partitioning has been studied by time-resolved laser fluorescence spectroscopy (TRLFS). This work aims at a better understanding of the molecular reason of the selectivity of these ligands. In this context, enormous effort has been and is still put into detailed investigations on BTP and BTBP ligands, which are the most successful N-donor ligands for the selective extraction of trivalent actinides, to date. Additionally, the complexation and extraction behavior of molecules which are structurally related to these ligands is studied. The ligand C5-BPP (2,6-bis(5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)pyridine) where the triazine rings of the aromatic backbone of the BTP ligands have been replaced by pyrazole rings is one of these molecules. Laser fluorescence spectroscopic investigation of the complexation of Cm(III) with this ligand revealed stepwise formation of three (Cm(C5-BPP) n ) 3+ complexes (n = 1 - 3). The stability constant of the 1:3 complex was determined (log β 3 = 14.8 ± 0.4). Extraction experiments have shown that, in contrast to BTP and BTBP ligands, C5-BPP needs an additional lipophilic anion source such as a 2-bromocarboxylic acid to selectively extract trivalent actinides from nitric acid solutions. The comparison of the stability constant of the (Cm(C5-BPP) 3 ) 3+ complex with the stability constant of the (Cm(nPr-BTP) 3 ) 3+ complex

  2. Micro-spectroscopic investigation of valence change processes in resistive switching SrTiO{sub 3} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Koehl, Annemarie

    2014-05-15

    Due to physical limitations of the currently used flash memory in terms of writing speed and scalability, new concepts for data storage attract great interest. A possible alternative with promising characteristics are so-called ''Resistive Random Access Memories'' (ReRAM). These memory devices are based on the resistive switching effect where the electrical resistance of a metal-insulator-metal (MIM) structure can be switched reversibly by a current or voltage pulse. Although this effect attracted wide scientific as well as commercial interest, up to now the it is not fully understood on a microscopic scale. Consequently, in this work the chemical and physical modifications caused by the resistive switching process are studied by spectroscopic techniques. As most switching models predict a strongly localized rather than a homogeneous effect, advanced micro-spectroscopy techniques are employed where additionally the lateral structure of the sample is imaged. In this work Fe-doped SrTiO{sub 3} films are used as model material due to the thorough understanding of their defect chemistry. The epitaxial thin films are prepared by pulsed laser deposition. In a first approach, transmission X-ray microscopy is employed to study the bulk properties of ReRAM devices. At first, a new procedure for sample preparation based on a selective etching process is developed in order to realize photon-transparent samples. Investigations of switched devices reveal a significant contribution of Ti{sup 3+} states within growth defects. In contrast to the indirect evidence in previous studies, this observation directly confirms that the resistance change is based on a local redox-process. The localization of the switching process within the growth defects is explained by a self-accelerating process due to Joule heating within the pre-reduced defects. In a second approach, after removal of the top electrode the chemical and electronic structure of the former interface

  3. Moessbauer effect in lattice dynamics. Experimental techniques and applications

    International Nuclear Information System (INIS)

    Chen, Yi-Long; Yang, De-Ping

    2007-01-01

    This up-to-date review closes an important gap in the existing literature by providing a comprehensive description of the applications of Moessbauer effect in lattice dynamics, along with a collection of applications in metals, alloys, amorphous solids, molecular crystals, thin films, and nanocrystals. It is the first book to systematically compare Moessbauer spectroscopy using synchrotron radiation to conventional Moessbauer spectroscopy, discussing in detail its advantages and capabilities, backed by the latest theoretical developments and experimental examples. Intended as a self-contained volume that may be used as a complete reference or textbook, 'Moessbauer Effect in Lattice Dynamics' adopts new pedagogical approaches with several non-traditional and refreshing theoretical expositions, while all quantitative relations are derived with the necessary details so as to be easily followed by the reader. Two entire chapters are devoted to the study of the dynamics of impurity atoms in solids, while a thorough description of the Mannheim model as a theoretical method is presented and its predictions compared to experimental results. Finally, an in-depth analysis of absorption of Moessbauer radiation is presented, based on recent research by one of the authors, resulting in an exact expression of fractional absorption and a method to determine the optimal thickness of an absorber. Supplemented by elaborate appendices containing constants and parameters. (orig.)

  4. Inelastic scattering in condensed matter with high intensity Moessbauer radiation

    International Nuclear Information System (INIS)

    Yelon, W.B.; Schupp, G.

    1993-02-01

    The QUEGS facility at MURR has produced a number of new results and demonstrated the range of potential applications of high resolution, high intensity Moessbauer scattering. This work has been carried out by both MU and Purdue researchers and includes published results on Na, W, pentadecane, polydimethylsiloxane and other systems, manuscripts submitted on alkali halides (Phys. Rev. B) and accurate Moessbauer lineshape measurements (Phys. Rev. C), and manuscripts in preparation on glycerol, NiAl and Moessbauer spectra obtained by modulating a scattering crystal. Recently, new collaborations have been initiated which will substantially enhance our efforts. These are with W. Steiner (Vienna), G. Coddens (Saclay), and R. D. Taylor (Los Alamos). Steiner is experienced with Fe-57 Moessbauer scattering, while Coddens specializes in quasielastic neutron scattering; both of these areas naturally complement our work. R. D. Taylor has pioneered Moessbauer spectroscopy from the time of its discovery and has already made important contributions to our study of lattice dynamics and superconductivity for lead alloyed with small quantities of tin. At the same time, a significant instrument upgrade is underway, funded in part by the DOE-URIP program

  5. X-ray diffraction and Moessbauer study of (Fe1-xNi x)4N (0.2 ≤ x ≤ 0.6) films

    International Nuclear Information System (INIS)

    El Khiraoui, S.; Sajieddine, M.; Vergnat, M.; Sahlaoui, M.; Bauer, Ph.; Mabrouki, M.

    2007-01-01

    Single phase (Fe 1-x Ni x ) 4 N compounds (0.2 ≤ x ≤ 0.6) have been synthesized by reactive evaporation and investigated by X-ray diffraction and Moessbauer spectrometry. The lattice parameters of the nitrides decrease from 3.796 to 3.774 A with increasing Ni concentration. The fitting results of Moessbauer spectra indicate that the average hyperfine field have the same changing tendency with lattice parameter and the nickel atoms have a tendency to be located at the corner site

  6. Moessbauer studies of microscopic disorder in solid electrolytes

    International Nuclear Information System (INIS)

    Pasternak, M.

    1987-01-01

    We implement for the first time Moessbauer spectroscopy (MS) to investigate short-range properties of disorder in solid electrolytes. MS in 129 I and 119 Sn was carried out in RbAg 4 I 5 and as impurity in Ag 2 Se, respectively. Measurements were performed both in the superionic and the normal phases. It is shown that localized cation hopping is an inherent feature of the α-AgI-type solid electrolytes. In RbAg 4 I 5 , at temperatures far below T c , a small fraction of Ag is still locally mobile and at T>T c , its concentration increases exponentially. A strong linear temperature dependence of the point-charge electric field gradient is observed and explained in terms of local hopping. With 119 Sn in Ag 2 Se we observe the onset of 'local melting' of the Ag surroundingt the SnSe 4 cluster at 50 K below the bulk superionic phase transition. The characteristic features of MS related to microscopic studies of solid electrolytes are fully described. (orig.)

  7. High-pressure Moessbauer study of perovskite iron oxides

    CERN Document Server

    Kawakami, T; Sasaki, T; Kuzushita, K; Morimoto, S; Endo, S; Kawasaki, S; Takano, M

    2002-01-01

    The perovskite oxides CaFeO sub 3 and La sub 1 sub / sub 3 Sr sub 2 sub / sub 3 FeO sub 3 have been investigated by high-pressure sup 5 sup 7 Fe Moessbauer spectroscopy. The critical temperatures of the charge disproportionation (CD) and the magnetic order (MO) have been determined as a function of pressure. In CaFeO sub 3 the CD (2Fe sup 4 sup + -> Fe sup 3 sup + + Fe sup 5 sup +) occurs at an almost constant temperature of 290 K in the pressure range of 0-17 GPa. Above 20 GPa, the CD is suppressed. The MO temperature of 125 K at an ambient pressure rises to 300 K at 34 GPa. In La sub 1 sub / sub 3 Sr sub 2 sub / sub 3 FeO sub 3 the CD (3Fe sup 1 sup 1 sup / sup 3 sup + -> 2Fe sup 3 sup + + Fe sup 5 sup +) and the MO occur at the same temperature up to 21 GPa, which decreases from 207 to 165 K with increasing pressure. Above 25 GPa, however, the MO temperature rises above 400 K.

  8. Role of xanthophylls in light harvesting in green plants: a spectroscopic investigation of mutant LHCII and Lhcb pigment-protein complexes.

    Science.gov (United States)

    Fuciman, Marcel; Enriquez, Miriam M; Polívka, Tomáš; Dall'Osto, Luca; Bassi, Roberto; Frank, Harry A

    2012-03-29

    The spectroscopic properties and energy transfer dynamics of the protein-bound chlorophylls and xanthophylls in monomeric, major LHCII complexes, and minor Lhcb complexes from genetically altered Arabidopsis thaliana plants have been investigated using both steady-state and time-resolved absorption and fluorescence spectroscopic methods. The pigment-protein complexes that were studied contain Chl a, Chl b, and variable amounts of the xanthophylls, zeaxanthin (Z), violaxanthin (V), neoxanthin (N), and lutein (L). The complexes were derived from mutants of plants denoted npq1 (NVL), npq2lut2 (Z), aba4npq1lut2 (V), aba4npq1 (VL), npq1lut2 (NV), and npq2 (LZ). The data reveal specific singlet energy transfer routes and excited state spectra and dynamics that depend on the xanthophyll present in the complex.

  9. Spectroscopic investigations on sorption of uranium onto suspended bentonite. Effects of pH, ionic strength and complexing anions

    Energy Technology Data Exchange (ETDEWEB)

    Verma, Parveen Kumar; Pathak, Priyanath; Mohapatra, Manoj; Mohapatra, Prasanta Kumar [Bhabha Atomic Research Centre, Mumbai (India). Radiochemistry Div.; Yadav, Ashok Kumar; Jha, Sambhunath; Bhattacharyya, Dibyendu [Bhabha Atomic Research Centre, Mumbai (India). Atomic and Molecular Physics Div.

    2015-06-01

    Batch sorption experiments were carried out under aerobic conditions to understand the sorption behavior of U(VI) onto bentonite clay under varying pH (2-8) and ionic strength (I = 0.01 - 1 M (NaClO{sub 4})) conditions. The influences of different complexing anions (1 x 10{sup -4} M) such as oxalic acid (ox), carbonate (CO{sub 3}{sup 2-}), citric acid (cit), and humic acid (HA, 10 mg/L) on the sorption behavior were also investigated. The sorption of U(VI) increased with increasing pH up to pH 6 beyond which a decrease was attributed to the formation of anionic carbonate species. Marginal influence of the change in the ionic strength of the medium on the sorption profile of uranium suggested inner-sphere complexation onto the bentonite surface. The presence of humic acid showed interesting sorption profile with varying pH. Initially, there was an enhancement in the sorption with increased pH followed by a plateau and finally a decrease thereafter due to the formation of aqueous U(VI)-humate complexes. Spectroscopic studies such as UV spectrophotometry, luminescence and extended X-ray absorption fine structure (EXAFS) measurements were also performed to understand the changes in aqueous speciation of U(VI) ion. The luminescence yields of different aqueous U(VI) species followed the order: U(VI){sub Hydroxy} > U(VI){sub HumicAcid} > U(VI){sub carbonate} > U(VI){sub citrate}. The lower luminescence yield of U(VI)carbonate complex can be attributed to the strong dynamic quenching by carbonate at room temperature. The U(VI) samples shows two distinct life-time suggesting the presence of the different luminescent U(VI) species. Similar trend was observed for U(VI)-bentonite suspension in presence/absence of the complexing ligands. There was luminescence quenching for the sorbed U(VI) due to surface complexation. These observations were further supported by spectrophotometric measurements. EXAFS spectra of U(VI) samples were recorded in luminescence mode at the U L{sub 3

  10. Structural-conformational aspects of tRNA complexation with chloroethyl nitrosourea derivatives: A molecular modeling and spectroscopic investigation.

    Science.gov (United States)

    Agarwal, Shweta; Tyagi, Gunjan; Chadha, Deepti; Mehrotra, Ranjana

    2017-01-01

    Chloroethyl nitrosourea derivatives (CENUs) represent an important family of anticancer chemotherapeutic agents, which are used in the treatment of different types of cancer such as brain tumors, resistant or relapsed Hodgkin's disease, small cell lung cancer and malignant melanoma. This work focuses towards understanding the interaction of chloroethyl nitrosourea derivatives; lomustine, nimustine and semustine with tRNA using spectroscopic approach in order to elucidate their auxiliary anticancer action mechanism inside the cell. Attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FTIR), Fourier transform infrared difference spectroscopy, circular dichroism spectroscopy and UV-visible spectroscopy were employed to investigate the binding parameters of tRNA-CENUs complexation. Results of present study demonstrate that all CENUs, studied here, interact with tRNA through guanine nitrogenous base residues and possibly further crosslink cytosine residues in paired region of tRNA. Moreover, spectral data collected for nimustine-tRNA and semustine-tRNA complex formation indicates towards the groove-directed-alkylation as their anti-malignant action, which involves the participation of uracil moiety located in major groove of tRNA. Besides this, tRNA-CENUs adduct formation did not alter the native conformation of biopolymer and tRNA remains in A-form after its interaction with all three nitrosourea derivatives studied. The binding constants (K a ) estimated for tRNA complexation with lomustine, nimustine and semustine are 2.55×10 2 M -1 , 4.923×10 2 M -1 and 4.223×10 2 M -1 respectively, which specify weak type of CENU's binding with tRNA. Moreover, molecular modeling simulations were also performed to predict preferential binding orientation of CENUs with tRNA that corroborates well with spectral outcomes. The findings, presented here, recognize tRNA binding properties of CENUs that can further help in rational designing of more specific and

  11. High pressure Moessbauer spectroscopy of perovskite iron oxide

    CERN Document Server

    Nasu, S; Morimoto, S; Kawakami, T; Kuzushita, K; Takano, M

    2003-01-01

    High-pressure sup 5 sup 7 Fe Moessbauer spectroscopy using a diamond anvil cell has been performed for perovskite iron oxides SrFeO sub 3 , CaFeO sub 3 and La sub 1 sub / sub 3 Sr sub 2 sub / sub 3 O sub 3. The charge states and the magnetic dependency to pressure were determined. Pressure magnetic phase diagrams of these perovskite iron oxides are determined up to about 70 GPa. To be clear the magnetic ordered state, they are measured up to 7.8 T external magnetic fields at 4.5K. The phase transition of these perovskite oxides to ferromagnetisms with high magnetic ordered temperature is observed. In higher pressure, high spin-low spin transition of oxides besides CaFeO sub 3 is generated. The feature of Moessbauer spectroscopy, perovskite iron oxide and Moessbauer spectroscopy under high pressure are explained. (S.Y.)

  12. Low temperature {sup 57}Fe Moessbauer study of cucumber root

    Energy Technology Data Exchange (ETDEWEB)

    Kovacs, K; Kuzmann, E; Homonnay, Z; Vertes, A [Institute of Chemistry, Eoetvoes Lorand University, PO Box 32, 1512 Budapest (Hungary); Fodor, F [Department of Plant Physiology and Molecular Plant Biology, Eoetvoes Lorand University, PO Box 32, 1512 Budapest (Hungary); Machala, L, E-mail: kkriszti@chem.elte.h [Centre for Nanomaterial Research, Palacky University, Svobody 26, Olomouc 771 46 (Czech Republic)

    2010-03-01

    Iron uptake and distribution in cucumber root were studied with the help of {sup 57}Fe Moessbauer spectroscopy at low temperature applying external magnetic field. Cucumber was grown in iron sufficient modified Hoagland nutrient solution. Moessbauer spectra of the frozen roots taken at 4.2 and 1.5 K, at 5 T external magnetic field support the identification of the main iron species (Fe{sup III}-carboxylates, hydrous ferric oxides, Fe{sup III}-sulfate-hydroxide) suggested according to its Moessbauer spectra taken between 35-200 K [1]. The magnetic ordering temperature of the hydrous ferric oxide and Fe{sup III}-sulfate-hydroxide was found to be in the range of 4.2-1.5 K, which suggests the incorporation of H{sub 3}O{sup +}, PO{sub 4}{sup 3-} and citrate into these minerals.

  13. Dedicated detectors for surface studies by Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Bibicu, I.; Rogalski, M.S.; Nicolescu, G.

    2001-01-01

    Moessbauer spectroscopy is a nuclear resonance method largely utilized in solid state studies. Following resonant nuclear absorption, gamma radiations, conversion X-rays, conversion or Auger electrons are emitted. By detection of gamma radiations information about the sample as a whole are obtained while by detection of electrons or X radiation one obtains data on the surface layer. Our laboratory was among the firsts to produce and use flow gas proportional detectors for surface studies by Moessbauer spectroscopy. Four types of detectors were devised: - detectors for electron detection (90% He + 10% CH 4 ); - detectors for conversion X-ray detection (90% Ar + 10% CH 4 ); - detectors for electrons or internal conversion X rays; - detectors for simultaneous detection of electrons and conversion X rays emitted from the same source. All detectors allow simultaneous Moessbauer measurements both for surface and volume for a given sample. Details of construction are presented for the four types of detectors

  14. Moessbauer Study of Iron-Containing Carbon Nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Marco, J. F.; Gancedo, J. R. [CSIC, Instituto de Quimica-Fisica ' Rocasolano' (Spain); Hernando, A.; Crespo, P.; Prados, C.; Gonzalez, J. M. [Instituto de Magnetismo Aplicado (Spain); Grobert, N.; Terrones, M.; Walton, D. R. M.; Kroto, H. W. [University of Sussex, Fullerene Science Centre, School of Chemistry, Physics and Environmental Science (United Kingdom)

    2002-03-15

    {sup 57}Fe transmission Moessbauer at temperatures between 18 and 298 K and magnetic measurements have been used to characterize Fe-filled carbon nanotubes which were prepared by pyrolisis of Ferrocene + C{sub 60} at atmospheric pressure under an Ar atmosphere at 1050{sup o}C. The Moessbauer data have shown that the Fe phases encapsulated within the carbon nanotubes are {alpha}-Fe, Fe{sub 3}C and {gamma}-Fe. The magnetic results are compatible with the Moessbauer data. Taken together the results allow us to propose a simple picture of the distribution of iron phases within the carbon nanotubes which would consist of an {alpha}-Fe core surrounded by an {gamma}-Fe shell, finally covered by an Fe{sub 3}C layer.

  15. Iron chelates: a challenge to chemists and Moessbauer spectroscopists

    Energy Technology Data Exchange (ETDEWEB)

    Homonnay, Z., E-mail: homonnay@chem.elte.hu; Szilagyi, P. A.; Vertes, A. [Eoetvoes Lorand University, Laboratory of Nuclear Chemistry, Institute of Chemistry (Hungary); Kuzmann, E. [Hungarian Academy of Sciences, Department of Nuclear Chemistry, Chemical Research Center (Hungary); Sharma, V. K. [Florida Institute of Technology (United States); Molnar, G.; Bousseksou, A. [CNRS UPR-8241, Laboratoire de Chimie de Coordination (France); Greneche, J.-M. [Universite du Maine, Laboratoire de Physique de l' Etat Condense, CNRS UMR 6087 (France); Brausam, A.; Meier, R.; Eldik, R. van [University of Erlangen-Nuernberg, Institute for Inorganic Chemistry (Germany)

    2008-02-15

    The speciation of iron in aqueous solutions containing Fe{sup 3+} and selected chelates such as EDTA, EDDA, CDTA and HEDTA has been studied using transmission {sup 57}Fe Moessbauer spectrometry in frozen solutions. The protonation of various complexes as well as binuclear complex formation could be detected as a function of pH. Autoreduction of Fe{sup 3+} to Fe{sup 2+} was observed in several cases. Reaction with hydrogen peroxide proved to be rather different for the four ligands, while the dihapto complex [XFe({eta}{sup 2}-O{sub 2})]{sup 3-} had surprisingly identical Moessbauer parameters for X = EDTA, CDTA or HEDTA. Paramagnetic spin relaxation observed in the Moessbauer spectra was found to be strongly influenced by the identity of the chelating ligand, despite the basically spin-spin origin of the phenomenon.

  16. Moessbauer study of phase transitions under high hydrostatic pressures. 1

    International Nuclear Information System (INIS)

    Kapitanov, E.V.; Yakovlev, E.N.

    1979-01-01

    Experimental results of the hydrostatic pressure influence on Moessbauer spectrum parameters are obtained over the pressure range including the area of structural phase transition. A linear increase of the Moessbauer effect probability (recoilless fraction) is accompanied by a linear decrease of the electron density at tin nuclei within the pressure range foregoing the phase transition. The electric resistance and the recoilless fraction of the new phase of Mg 2 Sn are lower, but the electron density at tin nuclei is greater than the initial phase ones. Hydrostatic conditions allow to fix clearly the diphasic transition area and to determine the influence of the pressure on the Moessbauer line position and on the recoilless fraction of the high pressure phase. The phase transition heat Q = 415 cal mol -1 is calculated using recoilless fractions of the high and low pressure phases at 25 kbar. The present results are qualitatively and quantitatively different from the results, obtained at nonhydrostatic conditions. (author)

  17. High pressure Moessbauer spectroscopy of perovskite iron oxide

    International Nuclear Information System (INIS)

    Nasu, Saburo; Suenaga, Tomoya; Morimoto, Shotaro; Kawakami, Takateru; Kuzushita, Kaori; Takano, Mikio

    2003-01-01

    High-pressure 57 Fe Moessbauer spectroscopy using a diamond anvil cell has been performed for perovskite iron oxides SrFeO 3 , CaFeO 3 and La 1/3 Sr 2/3 O 3 . The charge states and the magnetic dependency to pressure were determined. Pressure magnetic phase diagrams of these perovskite iron oxides are determined up to about 70 GPa. To be clear the magnetic ordered state, they are measured up to 7.8 T external magnetic fields at 4.5K. The phase transition of these perovskite oxides to ferromagnetisms with high magnetic ordered temperature is observed. In higher pressure, high spin-low spin transition of oxides besides CaFeO 3 is generated. The feature of Moessbauer spectroscopy, perovskite iron oxide and Moessbauer spectroscopy under high pressure are explained. (S.Y.)

  18. Moessbauer study of Fe-Co nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Chen Ziyu [Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou (China)]. E-mail: chenzy@lzu.edu.cn; Zhan Qingfeng; Xue Desheng; Li Fashen [Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou (China); Zhou Xuezhi; Kunkel, Henry; Williams, Gwyn [Department of Physics and Astronomy, the University of Manitoba (Canada)

    2002-01-28

    Arrays of Fe{sub 1-x}Co{sub x} (0.0{<=}x{<=}0.92) nanowires have been prepared by an electrochemical process, co-depositing Fe and Co atoms into the pores of anodic aluminium; their compositions were determined by atomic absorption spectroscopy. Transmission electron microscope results show that the nanowires are regularly spaced and uniform in shape with lengths of about 7.5 {mu}m and diameters of 20 nm. The x-ray diffraction indicates a texture in the deposited nanowires. For the composition below 82 at.% cobalt, the nanowires had a body-centred-cubic structure with a [110] preferred orientation. For the 92 at.% cobalt sample, the alloy exhibited a mixture of bcc and face-centred-cubic structure. The room temperature {sup 57}Fe Moessbauer spectra of the arrays of Fe{sub 1-x}Co{sub x} nanowires have second and fifth absorption lines of the six-line pattern with almost zero intensity, indicating that the internal magnetic field in the nanowires lies along the long axis of the nanowire. The maximum values of the hyperfine field (B{sub hf} 36.6{+-}0.1 T) and isomer shift (IS=0.06{+-}0.01 mm s-1) occur for 44 at.% cobalt. The variations of the isomer shift and the linewidths with composition indicate that the Fe{sub 1-x}Co{sub x} alloy nanowires around the equiatomic composition are in an atomistic disordered state. (author)

  19. Moessbauer study of proton-exchanged LiNbO3:Fe

    International Nuclear Information System (INIS)

    Engelmann, H.; Andler, G.; Dezsi, I.

    1990-01-01

    Topotactic proton exchange (Li against H) can be achieved by treating LiBnO 3 with appropriate acids. In order to investigate the effect of proton exchange on Fe-impurities we studied LiNbO 3 :Fe powder material treated in sulphuric acid and LiNbO 3 :Fe single crystals treated in benzoic acid by Moessbauer spectroscopy. During the topotactic ion exchange only the Li-ions are exchanged for protons, whereas the Fe-impurities are retained in the material. (orig.)

  20. Moessbauer and EPR studies on iron-dihydroxybenzoic acid and iron-itoic acid chelate complexes

    International Nuclear Information System (INIS)

    Bagyinka, Cs.; Horvath, L.I.; Keszthelyi, L.

    1984-01-01

    Low molecular weight iron-dihydroxybenzoic acid and iron-itoic acid complexes were investigated by Moessbauer and EPR spectroscopy. In strong acidic medium the iron is chelated in high spin ferrous form. By varying the pH of the medium a (S=2)Fesup(2+)→(S=5/2)Fesup(3+) transition was found with a midpoint pH value of 4. From the g'-tensor anisotropy it is concluded that the metal atom is coordinated by six oxygen atoms in rhombically distorted octahedral configuration. The biological significance of these structural data is briefly discussed. (author)

  1. /sup 57/Co Moessbauer study of the recovery process of electron-irradiated gold

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, I.; Nasu, S.; Fujita, F.E.

    1988-03-15

    The recovery process of Au--10-at. ppm-Co alloy after electron irradiation at 78 K was investigated by means of /sup 57/Co emission Moessbauer spectroscopy. Three satellite lines were observed and assigned to the small interstitial(I)--Co complexes, the micro-I-loops containing Co atoms and the divacancy-Co complexes, respectively. A fairly strong binding energy between the interstitial and Co atoms in small I-Co complexes, most probably larger than 0.2 eV, was deduced

  2. Moessbauer study of dissimilatory reduction of iron contained in glauconite by alkaliphilic bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Chistyakova, Nataliya I., E-mail: nchistyakova@yandex.ru; Rusakov, Vyacheslav S.; Shapkin, Alexey A. [M.V. Lomonosov Moscow State University, Faculty of Physics (Russian Federation); Zhilina, Tatyana N.; Zavarzina, Darya G. [Russian Academy of Sciences, Winogradsky Institute of Microbiology (Russian Federation)

    2012-03-15

    {sup 57}Fe Moessbauer investigations of glauconite and new solid phases formed during the process of the bacterial growth in alkaline environment were carried out at room temperature, 78 K and 4.8 K. The magnetically ordered phase formed during bioleaching of glauconite by G. ferrihydriticus in pure culture or in combination with Cl. alkalicellulosi represented as a mixture of off-stoichiometric magnetite and maghemite. In case of combined binary bacterium culture growth the relative content of magnetically ordered phase was more than for the G. ferrihydriticus growth.

  3. Moessbauer of phase separation in FeNi multilayers under ion bombardment

    Energy Technology Data Exchange (ETDEWEB)

    Amaral, L.; Paesano, A.; Brueckman, M.E. [Rio Grande do Sul Univ., Porto Alegre, RS (Brazil). Inst. de Fisica; Scorzelli, R.B.; Dominguez, A.B. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Shinjo, T.; Ono, T.; Hosoito, N. [Kyoto Univ. (Japan). Inst. for Chemical Research

    1997-01-01

    We investigated the effect of noble gas irradiation (He, Ne, Ar and Xe) on the Fe-Ni multilayers with a very thin modulation and nominal composition in the invar region Fe{sub 0.63} Ni{sub 0.37}. The evaluation of the formation/stability of the Fe-Ni phases formed under irradiation with different ions and doses was followed by conversion electron Moessbauer spectroscopy (CEMS). (author). 21 refs., 4 figs., 2 tabs.; e-mail: scorza at novell.cat.cbpf.br.

  4. Calculation of the mean-square velocities of atom oscillations in the Moessbauer experiment

    International Nuclear Information System (INIS)

    Semenov, Ya.S.; Lebedev, M.P.

    2005-01-01

    To study mechanical and physical properties of solid bodies, it is important to know the behavior of rms velocities of atomic oscillations. Binary iron alloys in the vicinity of phase transition temperatures were investigated using the Moessbauer spectroscopy. The rms velocities of atomic oscillations demonstrate that 3d-3p direct chemical bonds for Si and 3d-4p direct chemical bonds for Ge are broken (formed) at the phase transition temperature; as a consequence, the velocities of atomic oscillations increase abruptly [ru

  5. Moessbauer studies of the structural phase transitions in RbFeF4

    International Nuclear Information System (INIS)

    Baumeler, Hp.; Keller, H.; Kuendig, W.; Savic, I.M.; Wanklyn, B.M.

    1984-01-01

    RbFeF 4 exhibits two structural phase transitions (SPT), namely a first-order transition at 381 K and a second-order transition at 417 K. A detailed 57 Fe Moessbauer investigation of these SPT is presented. At pronounced discontinuities in the quadrupole splitting and the recoil-free fraction are observed, whereas at 417 K both quantities vary continuously with temperature. Both SPT are also seen in the area ratio of the single crystal quadrupole lines which reflects the tilting of the FeF 6 octahedra with respect to the c-axis. However, no noticeable indication of the SPT is found in the center shift. (Auth.)

  6. Electronic properties of iron impurity in hcp metals from Moessbauer studies

    International Nuclear Information System (INIS)

    Janot, C.; Delcroix, P.

    1975-01-01

    Moessbauer spectroscopy was used in quantitative investigating the electronic properties of iron impurities in hexagonal close-packed metals. Beryllium of the highest commercially obtainable purity containing about 300 ppm residual impurities was used as a host element. Experimental evidence is given for the existence of localized electronic states which have non-spherical distribution and obviously contribute especially to the electric field gradient. Iron impurity seems to retain the same electronic behaviour as long as the host hcp metal is a normal one (Mg, Cd, Zn), but the localized electronic states seem to disappear when the host is a transition hcp metal (Co, Ti, Sc, Zr, etc.). (Z.S.)

  7. Conversion electron Moessbauer spectroscopy of plasma immersion ion implanted H13 tool steel

    International Nuclear Information System (INIS)

    Terwagne, G.; Hutchings, R.

    1994-01-01

    Conversion electron Moessbauer spectroscopy (CEMS) has been used to investigate nitride formation in AISI-H13 tool steel after treatment by plasma immersion ion implantation (PI 3 ) at 350 C. With only slight variation in the plasma conditions, it is possible to influence the kinetics of nitride precipitation so as to obtain nitrogen concentrations that range from those associated with ε-Fe 2 N through ε-Fe 3 N to γ'-Fe 4 N. The CEMS results enable a more definite identification of the nitrides than that obtained by glancing-angle X-ray diffraction and nuclear reaction analysis alone. (orig.)

  8. Moessbauer effect and electron paramagnetic resonance studies on yeast aconitase

    International Nuclear Information System (INIS)

    Suzuki, Takashi; Maeda, Yutaka; Sakai, Hiroshi; Fujimoto, Shigeru; Morita, Yuhei.

    1975-01-01

    The Moessbauer effect and electron paramagnetic resonance (EPR) of yeast aconitase [EC 4.2.1.3] purified from the cells of Candida lipolytica (ATCC 20114) were measured. Moessbauer spectra suggested that yeast acontitase mostly contained two high-spin Fe(III) ions in an antiferromagnetically coupled binuclear complex that resembled oxidized 2 Fe ferredoxins, together with a small amount of high-spin Fe(II). EPR spectra recorded no signal at 77 0 K, but showed a slightly asymmetric signal centered at g=2.0 at 4.2 0 K, presumably due to the small amount of Fe(II) Fe(III) pairs. (auth.)

  9. Moessbauer spectroscopy of the cephalin+SnCl4 system

    International Nuclear Information System (INIS)

    Rochev, Ya.V.; Kevdin, O.P.; Kivrina, N.K.; Gilbukh, E.A.; May, L.

    1981-01-01

    A technique is developed for introducing Moessbauer labels into lipid systems. With the use of stannic chloride as a label the temperature dependences are studied for parameters of Moessbauer spectra of the cephalin+stannic chloride lipid system and of the corresponding model lipid-free system. Conclusions are made on the structure of tin complexes in the systems under study; for lipid system a line broadening is observed at temperatures above -64 deg C, that is probably due to conformational change in the lipid matrix. On the assumption of different diffusion models, the diffusion characteristics of the system studied are estimated at various temperatures. (author)

  10. Moessbauer study of amorphous alloys irradiated with energetic heavy ions

    International Nuclear Information System (INIS)

    Kuzmann, E.; Spirov, I.N.

    1984-01-01

    The Moessbauer spectroscopy was applied to study radiation damages in amorphous alloys irradiated with 40 Ar (E=225 MeV) or 132 Xe (E=120 MeV) ions at room temperature. In the magnetically splitted Moessbauer spectra the dose-dependent decreases of the intensity of the 2nd and 5th lines as well as of the average hyperfine magnetic field were observed. The changes weAe also analysed using the hyperfine field distribution obtained from the spectra. The results are interpreted in terms of defect creation and structural changes of shortrange order of irradiated amorphoys alloys

  11. 57Fe Moessbauer effect studies of magnetic ordering in Lasub(1-x) Srsub(x)CoO3

    International Nuclear Information System (INIS)

    Bhide, V.G.; Rajoria, D.S.

    1975-01-01

    A detailed investigation of the Lasub(1-x)Srsub(x)CoO 3 system was performed for the entire range of Sr concentrations using X-ray diffraction for structural studies, DTA for phase transition analysis, Moessbauer and magnetic susceptibility studies for magnetic properties, and electrical resistivity and Seebeck coefficient studies for electron transport properties. Among other interesting results, samples with x > 0.125 were found to show ferromagnetic ordering. (A.K.)

  12. Moessbauer study of (Fe1-x Cu x )4N (0.05≤x≤0.15) films

    International Nuclear Information System (INIS)

    El Khiraoui, S.; Sajieddine, M.; Vergnat, M.; Bauer, Ph.; Mabrouki, M.

    2007-01-01

    In this work, we have prepared nitrogenated Fe 1- x Cu x alloys by reactive evaporation under a flow of nitrogen ions. After annealing, X-ray diffraction shows that we have synthesized the γ'-(Fe 1- x Cu x ) 4 N (0.05≤x≤0.15) compounds. The films were investigated by Moessbauer spectroscopy. The crystallographic structure and the respective positions of the Fe and Cu atoms in the compounds have been determined

  13. Computational and Spectroscopic Investigations of the Molecular Scale Structure and Dynamics of Geologically Important Fluids and Mineral-Fluid Interfaces

    International Nuclear Information System (INIS)

    Kirkpatrick, R. James; Kalinichev, Andrey G.

    2008-01-01

    significantly larger systems. These calculations have allowed us, for the first time, to study the effects of metal cations with different charges and charge density on the NOM aggregation in aqueous solutions. Other computational work has looked at the longer-time-scale dynamical behavior of aqueous species at mineral-water interfaces investigated simultaneously by NMR spectroscopy. Our experimental NMR studies have focused on understanding the structure and dynamics of water and dissolved species at mineral-water interfaces and in two-dimensional nano-confinement within clay interlayers. Combined NMR and MD study of H2O, Na+, and Cl- interactions with the surface of quartz has direct implications regarding interpretation of sum frequency vibrational spectroscopic experiments for this phase and will be an important reference for future studies. We also used NMR to examine the behavior of K+ and H2O in the interlayer and at the surfaces of the clay minerals hectorite and illite-rich illite-smectite. This the first time K+ dynamics has been characterized spectroscopically in geochemical systems. Preliminary experiments were also performed to evaluate the potential of 75As NMR as a probe of arsenic geochemical behavior. The 75As NMR study used advanced signal enhancement methods, introduced a new data acquisition approach to minimize the time investment in ultra-wide-line NMR experiments, and provides the first evidence of a strong relationship between the chemical shift and structural parameters for this experimentally challenging nucleus. We have also initiated a series of inelastic and quasi-elastic neutron scattering measurements of water dynamics in the interlayers of clays and layered double hydroxides. The objective of these experiments is to probe the correlations of water molecular motions in confined spaces over the scale of times and distances most directly comparable to our MD simulations and on a time scale different than that probed by NMR. This work is being done

  14. Moessbauer Study of Sedimentary Rocks from King George Island, Antarctica

    International Nuclear Information System (INIS)

    Kuzmann, E.; Souza, P. A. de; Schuch, L. A.; Oliveira, A. C. de; Garg, R.; Garg, V. K.

    2002-01-01

    The separation of continents at the periphery of Antarctica occurred about 180 ma ago due to volcanic activity. Geological faults can be very important in the study of geological occurrences. Such geological faults occur across the Admiralty Bay, King George Island, and have been studied in detail previously. Controversial statements were given in earlier works, based on conventional geological investigations, as to whether altered 'Jurassic' and unaltered Tertiary rocks were separated by a major fault which goes across the Admiralty Bay, or whether there is no difference in the alteration of the rocks located at either side of the fault. The aim of our work is to investigate rock samples from the Admiralty Bay of King George Island, Antarctica, from different locations on both sides of the geological fault. For these investigations 57 Fe Moessbauer spectroscopy and X-ray diffractometry were used. We have found that the phase composition, and the iron distribution among the crystallographic sites of iron-bearing minerals, are characteristic of the location of the rock samples from the Admiralty Bay of King George Island. There is a much higher amount of iron oxides in the rocks from the south part of the geological fault than in the north part. The differences in the mineral composition and iron distribution showed that the rocks in the southern part of the geological fault of King George Island are significantly altered compared to the rocks in the northern part. Our present results support and complement well the results obtained earlier on soils from King George Island.

  15. 161Dy Moessbauer spectroscopy of the intermetallic compounds DyNi2Si2, DyNi2Ge2 and DyAg2Si2

    International Nuclear Information System (INIS)

    Onodera, Hideya; Murata, Akifumi; Koizuka, Masaaki; Ohashi, Masayoshi; Yamaguchi, Yasuo

    1994-01-01

    161 Dy Moessbauer spectroscopic study has been performed on DyNi 2 Si 2 , DyNi 2 Ge 2 and DyAg 2 Si 2 in order to clarify microscopic properties of antiferromagnets with incommensurate and sinusoidally moment-modulated structure. The experiments were done using the standard 161 Tb Moessbauer sources prepared by neutron irradiation at the Japan Material Testing Reactor. The Moessbauer spectra of DyNi 2 Si 2 are analyzed satisfactorily by a single set of hyperfine parameters, and hence the sinusoidal moment-modulation is considered to be realized through a distribution of spin relaxation rate. The broadened spectra of DyNi 2 Ge 2 are fitted tentatively by three subspectra. It seems for DyNi 2 Ge 2 that the incommensurate arrangement of Dy moments differed in magnitude as well as the distribution of spin relaxation rate originates the moment modulation. The fact that the spectrum of DyAg 2 Si 2 at 3 K consists of two distinct subspectra ensures the complicated antiferromagnetic structure where two kinds of Dy moments differed in magnitude are arranged noncollinearly. (author)

  16. Moessbauer spectroscopy on amorphous Fe/sub x/Ni/sub 80-x/B/sub 20/ after neutron irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Sitek, J.; Miglierini, M. (Slovenska Vysoka Skola Technicka, Bratislava (Czechoslovakia))

    1985-05-16

    Amorphous Fe/sub x/Ni/sub 80-x/B/sub 20/ glassy alloys (x = 40, 50, 60, and 70) irradiated with fast neutrons in a fluence range of 10/sup 14/ to 10/sup 19/ cm/sup -2/ were investigated by Moessbauer spectroscopy. There were some significant changes in the Moessbauer spectrum parameters of the 10/sup 19/ cm/sup -2/ irradiated samples except Fe/sub 40/Ni/sub 40/B/sub 20/. This corresponds to a change in the direction of the easy axis of magnetization. The measurements show that the resistance of the Fe-Ni-B system against neutron irradiation improves with increasing Ni content up to a certain point.

  17. Diffuse reflectance infrared fourier transform spectroscopic (DRIFTS) investigation of E.coli, Staphylococcus aureus and Candida albicans

    Digital Repository Service at National Institute of Oceanography (India)

    DeSouza, L.; PrabhaDevi; Kamat, T.; Naik, C.G.

    -quadrant streak pattern. Sample preparation and DRIFT spectroscopic analysis A single colony of culture cells in replicates of 5, were carefully removed from the fourth quadrant using a platinum loop. The cells were transferred into sterile glass vials... and dried in an incubator at 45°C for 30 min. Special care was taken to free samples completely from moisture by vacuum treatment using a Jouan lyophilizer (RC10-22, Heto DRYWINNER, France). Microbial cells weighing 0.9-1.3 mg dry weight was thoroughly...

  18. Heterogeneous structure and solvation dynamics of DME/water binary mixtures: A combined spectroscopic and simulation investigation

    Science.gov (United States)

    Das Mahanta, Debasish; Rana, Debkumar; Patra, Animesh; Mukherjee, Biswaroop; Mitra, Rajib Kumar

    2018-05-01

    Water is often found in (micro)-heterogeneous environments and therefore it is necessary to understand their H-bonded network structure in such altered environments. We explore the structure and dynamics of water in its binary mixture with relatively less polar small biocompatible amphiphilic molecule 1,2-Dimethoxyethane (DME) by a combined spectroscopic and molecular dynamics (MD) simulation study. Picosecond (ps) resolved fluorescence spectroscopy using coumarin 500 as the fluorophore establishes a non-monotonic behaviour of the mixture. Simulation studies also explore the various possible H-bond formations between water and DME. The relative abundance of such different water species manifests the heterogeneity in the mixture.

  19. Moessbauer-spectroscopic study of structure and magnetism of the exchange-coupled layer systems Fe/FeSn{sub 2}, and Fe/FeSi/Si and the ion-implanted diluted magnetic semiconductor SiC(Fe); Moessbauerspektroskopische Untersuchung von Struktur und Magnetismus der austauschgekoppelten Schichtsysteme Fe/FeSn{sub 2} und Fe/FeSi/Si und des ionenimplantierten verduennten magnetischen Halbleiters SiC(Fe)

    Energy Technology Data Exchange (ETDEWEB)

    Stromberg, Frank

    2009-07-07

    In line with this work the structural and magnetic properties of the exchange coupled layered systems Fe/FeSn{sub 2} and Fe/FeSi/Si and of the Fe ion implanted diluted magnetic semiconductor (DMS) SiC(Fe) were investigated. The main measuring method was the isotope selective {sup 57}Fe conversion electron Moessbauer spectroscopy (CEMS), mostly in connection with the {sup 57}Fe tracer layer technique, in a temperature range from 4.2 K to 340 K. Further measurement techniques were X-ray diffraction (XRD), electron diffraction (LEED, RHEED), SQUID magnetometry and FMR (Ferromagnetic Resonance). In the first part of this work the properties of thin AF FeSn{sub 2}(001) films and of the exchange-bias system Fe/FeSn{sub 2}(001) on InSb(001) were investigated. With the application of {sup 57}Fe-tracer layers and CEMS both the Fe-spin structure and the temperature dependence of the magnetic hyperfine field (B{sub hf}) of FeSn{sub 2} could be examined. The evaporation of Fe films on the FeSn{sub 2} films produced in the latter ones a high perpendicular spin component at the Fe/FeSn{sub 2} interface. In some distance from the interface the Fe spins rotate back into the sample plane. Furthermore {sup 57}Fe-CEMS provided a correlation between the absolute value of the exchange field vertical stroke He vertical stroke and the amount of magnetic defects within the FeSn{sub 2}. Temperature dependent CEMS-measurements yielded informations about the spin dynamics within the AF. The transition temperatures T{sub B}{sup *}, which were interpreted as superparamagnetic blocking temperatures, obtain higher values compared to the temperatures T{sub B} of the exchange-bias effect, obtained with magnetometry measurements. The second part of this work deals with the indirect exchange coupling within Fe/FeSi/Si/FeSi/Fe multilayers and FeSi diffusion barriers. The goal was to achieve Fe free Si interlayers. The CEMS results show that starting from a thickness of t{sub FeSi}=10-12 A of the

  20. Moessbauer neutrinos in quantum mechanics and quantum field theory

    International Nuclear Information System (INIS)

    Kopp, Joachim

    2009-01-01

    We demonstrate the correspondence between quantum mechanical and quantum field theoretical descriptions of Moessbauer neutrino oscillations. First, we compute the combined rate Γ of Moessbauer neutrino emission, propagation, and detection in quantum field theory, treating the neutrino as an internal line of a tree level Feynman diagram. We include explicitly the effect of homogeneous line broadening due to fluctuating electromagnetic fields in the source and detector crystals and show that the resulting formula for Γ is identical to the one obtained previously [1] for the case of inhomogeneous line broadening. We then proceed to a quantum mechanical treatment of Moessbauer neutrinos and show that the oscillation, coherence, and resonance terms from the field theoretical result can be reproduced if the neutrino is described as a superposition of Lorentz-shaped wave packet with appropriately chosen energies and widths. On the other hand, the emission rate and the detection cross section, including localization and Lamb-Moessbauer terms, cannot be predicted in quantum mechanics and have to be put in by hand.

  1. Moessbauer effect study on the corrosion of an oil refinery

    International Nuclear Information System (INIS)

    Da Costa, M.I. Jr.; Kunrath, J.I.; Moro, J.T.; Englert, G.; Comparsi, L.U.; Mueller, I.L.

    1994-01-01

    Metallic coupons are placed in strategical points of an oil refining plant in order to control the amount of corrosion produced by amine stripping of H 2 S from liquefied oil and combustible gases. This paper reports some of the results obtained by CEMS and transmission Moessbauer spectroscopy for the corrosion products formed on such coupons. (orig.)

  2. Magnetic and thermal Moessbauer effect scans: a new approach

    International Nuclear Information System (INIS)

    Pasquevich, G. A.; Zelis, P. Mendoza; Sanchez, F. H.; Fernandez van Raap, M. B.; Veiga, A.; Martinez, N.

    2006-01-01

    Moessbauer transmission recorded at fixed photon energies as a function of a given physical parameter such as temperature, external field, etc. (Moessbauer scan), is being developed as a useful quantitative tool, complementary of Moessbauer spectroscopy. Scans are performed at selected energies, suitable for the observation of a given physical property or process. It is shown that one of main advantages of this approach is the higher speed at which the external physical parameter can be swept, which allows the recording of quasi-continuous experimental response functions as well as the study of processes which occur too fast to be followed by Moessbauer spectroscopy. The applications presented here are the determination of the temperature dependence of the 57 Fe hyperfine field in FeSn 2 , the thermal evolution and nanocrystallization kinetics of amorphous Fe 73.5 Si 13.5 Cu 1 Nb 3 B 9 and the measurement of the dynamic response of Fe magnetic moments in nanocrystalline Fe 90 Zr 7 B 3 to an external ac field.

  3. Moessbauer thermal scan study of a spin crossover system

    Energy Technology Data Exchange (ETDEWEB)

    Zelis, P Mendoza; Pasquevich, G A; Sanchez, F H; Veiga, A; Cabrera, A F [Departamento de Fisica, FCE-UNLP, La Plata (Argentina); Ceolin, M [Instituto de Investigaciones FIsico-Quimicas Teoricas y Aplicadas (UNLP-CONICET), La Plata (Argentina); Coronado-Miralles, E; Monrabal-Capilla, M; Galan-Mascaros, J R, E-mail: pmendoza@fisica.unlp.edu.a [Instituto de Ciencias Moleculares, Universidad de Valencia, Valencia (Spain)

    2010-03-01

    Programmable Velocity equipment was used to perform a Moessbauer Thermal Scans to allow a quasi-continuous temperature study of the magnetic transition between the low-spin and a high-spin configurations in [Fe(Htrz){sub 2}(trz)](BF4) system. The material was studied both in bulk as in nanoparticles sample forms.

  4. Study of chicken liver and spleen by Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Oshtrakh, M. I., E-mail: oshtrakh@mail.utnet.ru [Ural State Technical University-UPI, Division of Applied Biophysics, Faculty of Physical Techniques and Devices for Quality Control (Russian Federation); Milder, O. B.; Semionkin, V. A. [Ural State Technical University-UPI, Faculty of Experimental Physics (Russian Federation); Malakheeva, L. I. [Simbio Holding, Science Consultation Department (Russian Federation); Prokopenko, P. G. [Russian State Medical University, Faculty of Biochemistry (Russian Federation)

    2005-09-15

    A preliminary study of purified normal human liver ferritin, normal chicken liver and spleen tissues in lyophilized form showed differences in room temperature Moessbauer hyperfine parameters. An additional study of liver and spleen tissues with lower iron content from chicken with lymphoid leukemia indicated small differences between the quadrupole splittings in these samples compared with those in normal tissues.

  5. Recent development in the evaluation of Moessbauer line intensities

    International Nuclear Information System (INIS)

    Spiering, H.

    1985-01-01

    The angular dependence of the intensities of pure or mixed multipole transitions is formulated in a new fashion, which takes into account arbitrary texture of the Moessbauer absorber ranging from complete orientation (single crystals) over preferred orientation to random powders and an anisotropic absorption fraction of the nuclei. The application of the theory is demonstrated by means of typical examples from the literature. (orig.)

  6. Study of chicken liver and spleen by Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Oshtrakh, M. I.; Milder, O. B.; Semionkin, V. A.; Malakheeva, L. I.; Prokopenko, P. G.

    2005-01-01

    A preliminary study of purified normal human liver ferritin, normal chicken liver and spleen tissues in lyophilized form showed differences in room temperature Moessbauer hyperfine parameters. An additional study of liver and spleen tissues with lower iron content from chicken with lymphoid leukemia indicated small differences between the quadrupole splittings in these samples compared with those in normal tissues.

  7. Moessbauer study of iron uptake in cucumber root

    Energy Technology Data Exchange (ETDEWEB)

    Kovacs, K.; Kuzmann, E., E-mail: kuzmann@para.chem.elte.hu [Eoetvoes Lorand University, Research Group for Nuclear Methods in Structural Chemistry, Hungarian Academy of Sciences, Department of Nuclear Chemistry (Hungary); Fodor, F. [Eoetvoes Lorand University, Department of Plant Physiology and Molecular Plant Biology (Hungary); Vertes, A. [Eoetvoes Lorand University, Research Group for Nuclear Methods in Structural Chemistry, Hungarian Academy of Sciences, Department of Nuclear Chemistry (Hungary); Kamnev, A. A. [Russian Academy of Sciences, Institute of Biochemistry and Physiology of Plants and Microorganisms (Russian Federation)

    2005-09-15

    {sup 57}Fe Moessbauer spectroscopy was used to study the uptake and distribution of iron in the root of cucumber plants grown in iron-deficient modified Hoagland nutrient solution and put into iron-containing solution with 10 {mu}M Fe citrate enriched with {sup 57}Fe (90%) only before harvesting. The Moessbauer spectra of the frozen roots exhibited two Fe{sup 3+} components with typical average Moessbauer parameters of {delta} = 0.5 mm s{sup -1}, {Delta} = 0.46 mm s{sup -1} and {delta} = 0.5 mm s{sup -1}, {Delta} = 1.2 mm s{sup -1} at 78 K and the presence of an Fe{sup 2+} doublet, assigned to the ferrous hexaaqua complex. This finding gives a direct evidence for the existence of Fe{sup 2+} ions produced via root-associated reduction according to the mechanism proposed for iron uptake for dicotyledonous plants. Monotonous changes in the relative content of the components were found with the time period of iron supply. The Moessbauer results are interpreted in terms of iron uptake and transport through the cell wall and membranes.

  8. High field Moessbauer spectroscopy using water-cooled magnets

    Energy Technology Data Exchange (ETDEWEB)

    Chappert, J.; Regnard, J. R.

    1974-07-01

    A high field Moessbauer spectrometer using a Bitter coil producing fields of up to 155 kOe is described. Problems encountered in the design of this type of equipment are discussed and preliminary results demonstrating the performance of the spectrometer are presented.

  9. Application of Moessbauer spectroscopy to study archaeological Egyptian pottery

    International Nuclear Information System (INIS)

    Eissa, N.A.

    1988-01-01

    Moessbauer spectra have been used as ''fingerprints'' in obtaining information an ancient Egyptian pottery and in fine art. An empirical relation has been found that connects the natural radiation dose with the intensity ratio of the two non-magnetic central peaks. It was suggested that this relation be used for dating ancient pottery. 8 refs, 13 figs, 2 tabs

  10. Moessbauer study of rock paintings from Minas Gerais (Brazil)

    International Nuclear Information System (INIS)

    Costa, G.M. da; Jesus Filho, M.F. de; Cruz Souza, L.A.

    1991-01-01

    Four samples of a wall containing rock paintings have been studied by Moessbauer spectroscopy in combination with optical microscopy analysis and X-ray diffraction. Hematite and goethite were identified as the pigments responsible for the colors and the mineral tinsleyite, as the principal component of a light pink layer that is present in some parts of the wall. (orig.)

  11. Current opinion about maximum entropy methods in Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Szymanski, K

    2009-01-01

    Current opinion about Maximum Entropy Methods in Moessbauer Spectroscopy is presented. The most important advantage offered by the method is the correct data processing under circumstances of incomplete information. Disadvantage is the sophisticated algorithm and its application to the specific problems.

  12. SEM, optical, and Moessbauer studies of submicrometer chromite in Allende

    Science.gov (United States)

    Housley, R. M.

    1982-01-01

    New scanning electron and optical microscope results are presented showing that sub-micrometer chromite is abundant along healed cracks and grain boundaries in Allende chondrule olivine. Some wider healed cracks also contain pentlandite and euhedral Ni3Fe grains. Also reported are Moessbauer measurements on Allende HF-HCl residues confirming a high Fe(+++)/Fe(++) ratio.

  13. The Moessbauer effect and Rudolf enter the Khrushchev thaw

    Energy Technology Data Exchange (ETDEWEB)

    Gol`danskii, V.I. [Russian Acad. of Sci., Moscow (Russian Federation). N.N. Semenov Inst. of Chem. Phys.

    1994-11-01

    In this article, the earliest works of Soviet scientists on the recoilless resonance scattering of gamma-rays, the first visit of Rudolf Moessbauer to Moscow (1960) and the reciprocal visit of the present author to Los Angeles (1963) are recounted. (orig.)

  14. A microprocessor based multiscaling data acquisition system for moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Bohm, C.; Ekdahl, T.

    1985-01-01

    A microprocessor based data acquisition system is described, which was developed for use in Moessbauer spectroscopy. It is designed to record two spectra simultaneously, one of which could be a calibration spectrum. It is autonomous, but uses a host computer for initialization and permanent storage of data. The host communication software is also described. (Author)

  15. [Gamma scattering in condensed matter with high intensity Moessbauer radiation

    International Nuclear Information System (INIS)

    1992-01-01

    This report discusses: quasielastic scattering studies on glycerol; gamma-ray scattering from alkali halides; lattice dynamics in metals; Moessbauer neutron scattering, x-ray diffraction, and macroscopic studies of high T c superconductors containing tungsten; NiAl scattering studies; and atomic interference factors and nuclear Casimir effect

  16. A proportional counter for efficient backscatter Moessbauer effect spectroscopy

    International Nuclear Information System (INIS)

    Pawlowski, Z.; Marzec, J.; Cudny, W.; Holnicka, J.; Walentek, J.

    1979-01-01

    The authors present a novel gas-tight proportional counter with flat beryllium windows for backscatter Moessbauer spectroscopy. The krypton-filled counter has a geometry that approaches 2π and a resolution of 12% fwhm for the 14.4 keV line of 57 Fe, and is easy to manufacture. (Auth.)

  17. Spectroscopic and theoretical investigation of conformational changes of proteins by synthesized pyrimidine derivative and its sensitivity towards FRET application

    Science.gov (United States)

    Ghosh, Swadesh; Singharoy, Dipti; Bhattacharya, Subhash Chandra

    2018-04-01

    Interest in synthesizing and characterizing (IR, NMR and HRMS spectroscopic methods) a pyrimidine based Schiff-base ligand, 2-(2-(Anthracen-9-ylmethylene) hydrazinyl)-4,6-dimethyl pyrimidine (ANHP) has been developed for its application to ascertain the conformational change of protein and sensitivity towards fluorescence resonance energy transfer (FRET) process. Location of ANHP in bovine serum albumin (BSA) and human serum albumin (HSA) proteins environment has been determined using different spectroscopic techniques. Weakly fluorescent ANHP have shown greater protein induced fluorescence enhancement (PIFE) in case of HSA than BSA, though in both cases energy transfer efficiency are almost same but difference in binding constant values encourages us to find the location of ANHP within the complex protein environment. From the FRET parameter and α-helicity change, it has been found that ANHP bound with Trp-214 of HSA and surface Trp-134 of BSA. Conformational changes of proteins have been observed more for HSA than BSA in presence of ANHP, which has confirmed the location of ANHP in both the protein environments. Coupled with experimental studies, molecular docking analysis has also been done to explain the locations and distance dependent FRET process of ANHP in both proteins.

  18. Spectroscopic investigation of the pH controlled inclusion of doxycycline and oxytetracycline antibiotics in cationic micelles and their magnesium driven release.

    Science.gov (United States)

    Cesaretti, Alessio; Carlotti, Benedetta; Gentili, Pier Luigi; Clementi, Catia; Germani, Raimondo; Elisei, Fausto

    2014-07-24

    This work presents a steady-state and time-resolved UV-visible spectroscopic investigation of two antibiotics belonging to the family of tetracyclines (doxycycline and oxytetracycline) in the micellar medium provided by p-dodecyloxybenzyltrimethylammonium bromide (pDoTABr). The spectroscopic analysis has been performed in absorption and emission with femtosecond time resolution, and at pH 5.0 and 8.7 where doxycycline and oxytetracycline are present in their neutral-zwitterionic and monoanionic forms, respectively. The experimental data have been processed by sophisticated data mining methods such as global/target analysis and the maximum entropy method. The results unambiguously indicate that, when doxycycline and oxytetracycline are in their zwitterionic form, they are entrapped within the micelle, while when they are in their monoanionic form, they preferentially show a strong one-to-one interaction with the positively charged surfactant heads. Thus, the pH of the solution controls the inclusion of the investigated drugs into the micelle. When the drugs are entrapped inside the micelles, their spectroscopic and dynamical properties after photoexcitation change appreciably. Interestingly, the entrapped drugs are still able to strongly bind Mg(2+) cations, crucial in determining the biological functioning of tetracyclines. The femtosecond resolved measurements reveal that the drugs are efficiently pulled out of the micelles by Mg(2+). In fact, magnesium-tetracycline complexes are detected in the aqueous phase. The present study suggests the potential promising use of ammonium surfactant micelles embedding doxycycline and oxytetracycline as "smart" drug delivery systems allowing their pH controlled inclusion and Mg(2+) induced release.

  19. Moessbauer spectroscopy and X-ray diffraction studies of Fe-Ni order-disorder processes in a 35% Ni meteorite (Santa Catharina)

    International Nuclear Information System (INIS)

    Scorzelli, R.B.; Danon, J.

    1985-01-01

    The composition and structure of iron-nickel alloys in the Santa Catharina iron meteorite were investigated by metallographic techniques, electron microprobe analysis, Moessbauer spectroscopy and X-ray diffraction. The occurence of an ordered Fe-Ni phase with non-cubic symmetry is demonstrated. This phase is present in large proportions in the Santa Catharina meteorite, and has been identified by its asymmetric Moessbauer spectrum, arising from the presence of a quadrupolar splitting superposed on the magnetic hyperfine splitting. The other major Fe-Ni phase in Santa Catharina gives rise to a single line Moessbauer spectrum with no hyperfine components. X-ray diffraction confirms the presence of the Fe-Ni Llo superstructure in this meteorite. Lattice parameter variations with temperature were found to be identical for the meteorite and for electron irradiated Fe-Ni alloys of the sample composition. Detailed Moessbauer spectroscopy studies from room temperature to liquid helium, and in the presence of external magnetic field show the presence of a smaller amount of another ferromagnetic Fe-Ni phase, probably with disordered structure. The destruction of the superstructure in the Santa Catharina meteorite was investigated after heating the samples. Partial ordering seems to coexist with the disordered phase at intermediate annealing temperatures. At higher temperatures the samples are homogeneous and similar to laboratory produced Fe-Ni alloys with 35% Ni. Order-disorder transformations produced by shock waves and by mechanical treatment are also described. (orig.)

  20. Neutron Activation Analysis and Moessbauer Correlations of Archaeological Pottery from Amazon Basin for Classification Studies

    International Nuclear Information System (INIS)

    Bellido, A. V. B.; Latini, R. M.; Nicoli, I.; Scorzelli, R. B.; Solorzano, P. M.

    2011-01-01

    The aim of the present work was to investigate the correlation between data obtained by means of two analytical methods, instrumental neutron activation analysis (INAA) and Moessbauer Spectroscopy of pottery samples combined with multivariate statistical analysis in order to optimize quantitative analysis in the classification studies. Ceramics recently discovered in archaeological earth circular structures sites in Acre state Brazil. 199 samples were analyzed by INAA, allowing simultaneous determination of twenty elements chemical concentrations, and 44 samples by using Moessbauer Spectroscopy, allowing the determination of fourteen hyperfine parameters. For the correlation study, data were treated by two multivariate statistical methods: cluster analysis for the classification and the principal component analysis for the data correlations. INAA data show that some of REE (rare earth elements) were the discriminating variables for this technique. Mossbauer parameters that exhibit the same behavior are being investigated, remarkable improve can be seem for the combined REE and the Mossbauer variables showing a good results considering the limited number of samples. This data matrix is being used for the understanding in the studies of classification and provenance of ceramics prehistory of the Amazonic basin.

  1. Application of [sup 57]Fe emission Moessbauer spectroscopy to the investigation of the physico-chemical consequences of the double radioactive decay [sup 57]Ni[yields][sup 57]Co[yields][sup 57]Fe in the solid state

    Energy Technology Data Exchange (ETDEWEB)

    Devillers, M.; Ladriere, J. (Univ. Catholique de Louvain, Louvain-la-Neuve (Belgium). Lab. de Chimie Inorganique et Nucleaire)

    1994-04-01

    [sup 57]Fe emission Mossbauer spectroscopy is shown to be a useful technique for investigating the cumulative recoil and Auger after-effects associated with the double electron capture decay, [sup 57]Ni[yields][sup 57]Co''->[sup 57]Fe, in the solid state. Experimental results collected in several types of nickel-containing matrices are surveyed: conducting materials (Ni metal), ionic compounds with monoatomic ligands [potassium trifluoronickelate (II)] and coordination compounds with polyatomic ligands (carboxylates). (Author).

  2. Comparative investigation on the spectroscopic properties of Pr3+-doped boro-phosphate, boro-germo-silicate and tellurite glasses

    Science.gov (United States)

    Zhang, Liaolin; Dong, Guoping; Peng, Mingying; Qiu, Jianrong

    We report on the spectroscopic properties of Pr3+-doped boro-phosphate, boro-germo-silicate and tellurite glasses. The stimulated absorption and emission cross sections were estimated. Only one emission at 596 nm and 605 nm is observed in Pr3+-doped boro-phosphate and boro-germo-silicate glasses, respectively, while three emissions at 605 nm, 612 nm and 645 nm are observed in Pr3+-doped tellurite glass when excited at 467 nm. The fluorescence lifetime at 600 nm in Pr3+-doped boro-phosphate, boro-germo-silicate and tellurite glasses is 137 μs, 73 μs and 51 μs, respectively. The emissions from Pr3+-doped boro-phosphate, boro-germo-silicate and tellurite glasses show different decay behaviors and can be well explained by multiphonon relaxation theory.

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

    International Nuclear Information System (INIS)

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

    2006-01-01

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

  4. Raman and Terahertz Spectroscopic Investigation of Cocrystal Formation Involving Antibiotic Nitrofurantoin Drug and Coformer 4-aminobenzoic Acid

    Directory of Open Access Journals (Sweden)

    Yong Du

    2016-12-01

    Full Text Available Cocrystallization could improve most physicochemical properties of specific active pharmaceutical ingredients, which has great potential in pharmaceutical development. In this study, the cocrystal of nitrofurantoin and 4-aminobenzoic acid was prepared with solid-state (solvent-free or green-chemistry grinding approach, and the above cocrystal has been characterized by Raman and terahertz vibrational spectroscopic techniques. Spectral results show that the vibrational modes of the cocrystal within the whole spectral region are different from those of the corresponding parent materials. The dynamic process of such pharmaceutical cocrystal formation has also been monitored directly with Raman spectra. These results offer us unique means for characterizing the cocrystal conformation from the molecule-level, and provides us with rich information about the reaction dynamic of cocrystal formation within pharmaceutical fields.

  5. Moessbauer spectroscopy study on the corrosion resistance of plasma nitrided ASTM F138 stainless steel in chloride solution

    International Nuclear Information System (INIS)

    Souza, S.D. de; Olzon-Dionysio, M.; Basso, R.L.O.; Souza, S. de

    2010-01-01

    Plasma nitriding of ASTM F138 stainless steel samples has been carried out using dc glow discharge under 80% H 2 -20% N 2 gas mixture, at 673 K, and 2, 4, and 7 h time intervals, in order to investigate the influence of treatment time on the microstructure and the corrosion resistance properties. The samples were characterized by scanning electron microscopy, glancing angle X-ray diffraction and conversion electron Moessbauer spectroscopy, besides electrochemical tests in NaCl aerated solution. A modified layer of about 6 μm was observed for all the nitrided samples, independent of nitriding time. The X-ray diffraction analysis shows broad γ N phase peaks, signifying a great degree of nitrogen supersaturation. Besides γ N, the Moessbauer spectroscopy results indicated the occurrence of γ' and ε phases, as well as some other less important phases. Corrosion measurements demonstrate that the plasma nitriding time affects the corrosion resistance and the best performance is reached at 4 h treatment. It seems that the ε/γ' fraction ratio plays an important role on the resistance corrosion. Additionally, the Moessbauer spectroscopy was decisive in this study, since it was able to identify and quantify the iron phases that influence the corrosion resistance of plasma nitrided ASTM F138 samples.

  6. Spectroscopic investigation of new fullerene based acceptors for organic solar cells; Spektroskopische Untersuchung neuartiger Fullerenakzeptoren fuer organische Solarzellen

    Energy Technology Data Exchange (ETDEWEB)

    Liedte, Moritz Nils

    2012-04-27

    high open circuit voltage of 835 mV in the devices produced, but also a rather low current density. I tried to understand the processes in the charge carrier generation and extraction process causing this. Using several measurement techniques, combined with general knowledge about comparable endohedral fullerenes from the literature, I was able to identify an internal charge transfer of electrons from the lutetium atoms encaged in the C{sub 80} to the fullerene bulk as origin The results presented in this work give further indications for the advantages of using C{sub 70} based fullerene acceptors in organic solar cells to raise the total power conversion efficiencies of these devices, despite the higher production costs. The identification of anion signatures of different fullerenes show an additional method to monitor the excitation processes by optical spectroscopy in bulk-heterojunction devices. My research regarding the Lu{sub 3}N rate at C{sub 80} molecule showed a general effect regarding this class of molecules, that will be important for any further synthesizes or application of such molecules in organic photovoltaics. While the projects regarding the dimer acceptors and the Lu{sub 3}N rate at C{sub 80} molecule were completed in this work, the analysis of spectroscopic anion signatures left some open questions, especially for large fullerenes. Further investigations using spin sensitive or time resolved techniques, as available in our research group, could be useful to gather more detailed information on this topic. Also trying to get some PC{sub 81}BM for photoinduced absorption measurements, alone and in blend with several polymers, might be another way to energetically pinpoint the anion signature on C{sub 80}.

  7. Investigations of Spectroscopic Factors and Sum Rules from the Single Neutron Transfer Reaction 111Cd(overrightarrow {{d}} ,p)112Cd

    Science.gov (United States)

    Jamieson, D. S.; Garrett, P. E.; Ball, G. C.; Demand, G. A.; Faestermann, T.; Finlay, P.; Green, K. L.; Hertenberger, R.; Krücken, R.; Leach, K. G.; Phillips, A. A.; Sumithrarachchi, C. S.; Triambak, S.; Wirth, H.-F.

    2014-03-01

    Cadmium isotopes have been presented for decades as excellent examples of vibrational nuclei, with low-lying levels interpreted as multi-phonon quadrupole, octupole, and mixed-symmetry states. A large amount of spectroscopic data has been obtained through various experimental studies of cadmiumisotopes. In the present work, the 111Cd(overrightarrow {{d}} ,p)112Cd reaction was used to investigate the single-particle structure of the 112Cd nucleus. A 22 MeV beam of polarized deuterons was obtained at the Maier-Leibnitz laboratory in Garching, Germany. The reaction ejectiles were momentum analyzed using a Q3D spectrograph, and 130 levels have been identified up to 4.2 MeV of excitation energy. Using DWBA analysis with optical model calculations, spin-parity assignments have been made for observed levels, and spectroscopic factors have been extracted from the experimental angular distributions of differential cross section and analyzing power. In this high energy resolution investigation, many additional levels have been observed compared with the previous (d,p) study using 8 MeV deuterons [1]. There were a total of 44 new levels observed, and the parity assignments of 34 levels were improved.

  8. Steady state and time-resolved spectroscopic investigations on the photoreactions involved within the electronically excited electron acceptor 9-cyanoanthracene in presence of benzotriazole and benzimidazole donors

    International Nuclear Information System (INIS)

    Bhattacharya, Sudeshna; Bardhan, Munmun; Ganguly, Tapan

    2010-01-01

    The electrochemical, 'steady-state' and 'time-resolved' spectroscopic investigations were made on the well-known electron acceptor 9-cyanoanthracene (CNA) when interacted with the electron donors benzotriazole (BZT) and benzimidazole (BMI) molecules. Though electrochemical measurements indicate the thermodynamical possibility of occurrences of photoinduced electron transfer reactions within these reacting systems in the lowest excited singlet state (S 1 ) of the acceptor CNA but the steady-state and time-resolved measurements clearly demonstrate only the triplet-initiated charge separation reactions. It was reported earlier that in the cases of disubstituted indole molecules the occurrences of photoinduced electron transfer reactions were apparent both in the excited singlet and triplet states of the acceptor 9-cyanoanthracene, but the similarly structured present donor molecules benzotriazole (and benzimidazole) behave differently from indoles. The weak ground state complex formations within the presently studied reacting systems appear to be responsible for the observed static quenching phenomena as evidenced from the time-resolved fluorescence studies. Time-resolved spectroscopic investigations demonstrate the formation of the ground state of the reacting components (donor and acceptor) through recombination of triplet ion-pairs via formations of contact neutral radical produced by H-abstraction mechanism.

  9. Investigations of Spectroscopic Factors and Sum Rules from the Single Neutron Transfer Reaction 111Cd(d→$\\overrightarrow {\\rm{d}} $,p112Cd

    Directory of Open Access Journals (Sweden)

    Jamieson D.S.

    2014-03-01

    Full Text Available Cadmium isotopes have been presented for decades as excellent examples of vibrational nuclei, with low-lying levels interpreted as multi-phonon quadrupole, octupole, and mixed-symmetry states. A large amount of spectroscopic data has been obtained through various experimental studies of cadmiumisotopes. In the present work, the 111Cd(d→$\\overrightarrow {\\rm{d}} $,p112Cd reaction was used to investigate the single-particle structure of the 112Cd nucleus. A 22 MeV beam of polarized deuterons was obtained at the Maier-Leibnitz laboratory in Garching, Germany. The reaction ejectiles were momentum analyzed using a Q3D spectrograph, and 130 levels have been identified up to 4.2 MeV of excitation energy. Using DWBA analysis with optical model calculations, spin-parity assignments have been made for observed levels, and spectroscopic factors have been extracted from the experimental angular distributions of differential cross section and analyzing power. In this high energy resolution investigation, many additional levels have been observed compared with the previous (d,p study using 8 MeV deuterons [1]. There were a total of 44 new levels observed, and the parity assignments of 34 levels were improved.

  10. Anomaly observed in Moessbauer spectra near the neel temperature of FeBr sub 2

    CERN Document Server

    Naili Di

    2003-01-01

    In several decades, iron(II) bromide (FeBr sub 2) has been investigated as a typical Ising-type antiferromagnet by several kinds of experimental techniques. By the Moessbauer measurements, it was normally observed that only the magnetic spectrum appeared just below Neel temperature in FeBr sub 2. However, we found the anomalous spectra, in which paramagnetic component coexisted with magnetic one near Neel temperature. For two kinds of single crystal FeBr sub 2 samples, IM and IIM, we determined the Moessbauer parameters of the observed spectra by the computer analyses: the relative absorption intensity I sub p of the paramagnetic component to the total absorption area of the best fitting spectrum and the value of the hyperfine field H sub h sub f of the magnetic component and values of the quadrupole splitting 1/2 centre dot e sup 2 qQ of the magnetic and the paramagnetic components. The temperature variation of H sub h sub f is unique and the same as that observed for the sample in which the anomaly was not ...

  11. Synthesis, spectroscopic investigations, DFT studies, molecular docking and antimicrobial potential of certain new indole-isatin molecular hybrids: Experimental and theoretical approaches

    Science.gov (United States)

    Almutairi, Maha S.; Zakaria, Azza S.; Ignasius, P. Primsa; Al-Wabli, Reem I.; Joe, Isaac Hubert; Attia, Mohamed I.

    2018-02-01

    Indole-isatin molecular hybrids 5a-i have been synthesized and characterized by different spectroscopic methods to be evaluated as new antimicrobial agents against a panel of Gram positive bacteria, Gram negative bacteria, and moulds. Compound 5h was selected as a representative example of the prepared compounds 5a-i to perform computational investigations. Its vibrational properties have been studied using FT-IR and FT-Raman with the aid of density functional theory approach. The natural bond orbital analysis as well as HOMO and LUMO molecular orbitals investigations of compound 5h were carried out to explore its possible intermolecular delocalization or hyperconjugation and its possible interactions with the target protein. Molecular docking of compound 5h predicted its binding mode with the fungal target protein.

  12. Investigation of the Spectroscopic Information on Functional Groups Related to Carbohydrates in Different Morphological Fractions of Corn Stover and Their Relationship to Nutrient Supply and Biodegradation Characteristics.

    Science.gov (United States)

    Xin, Hangshu; Ding, Xue; Zhang, Liyang; Sun, Fang; Wang, Xiaofan; Zhang, Yonggen

    2017-05-24

    The objectives of this study were to investigate (1) nutritive values and biodegradation characteristics and (2) mid-IR spectroscopic features within the regions associated with carbohydrate functional groups (including cellulosic component (CELC), structural carbohydrate (STCHO), and total carbohydrate (CHO)) in different morphological fractions of corn stover. Furthermore, correlation and regression analyses were also applied to determine the relationship between nutritional values and spectroscopic parameters. The results showed that different morphological sections of corn stover had different nutrient supplies, in situ biodegradation characteristics, and spectral structural features within carbohydrate regions. The stem rind and ear husk were both high in fibrous content, which led to the lowest effective degradabilities (ED) among these stalk fractions. The ED values of NDF were ranked ear husk > stem pith > leaf blade > leaf sheath > whole plant > stem rind. Intensities of peak height and area within carbohydrate regions were relatively more stable compared with spectral ratio profiles. Significant difference was found only in peak area intensity of CELC, which was at the highest level for stem rind, followed by stem pith, leaf sheath, whole plant, leaf blade, and ear husk. Correlation results showed that changes in some carbohydrate spectral ratios were highly associated with carbohydrate chemical profiles and in situ rumen degradation kinetics. Among the various carbohydrate molecular spectral parameters that were tested in multiple regression analysis, CHO height ratios, and area ratios of CELC:CHO and CELC:STCHO as well as CELC area were mostly sensitive to nutrient supply and biodegradation characteristics in different morphological fractions of corn stover.

  13. Kinetic and spectroscopic investigation of CoII, NiII, and N-oxalylglycine inhibition of the FeII/α-ketoglutarate dioxygenase, TauD

    International Nuclear Information System (INIS)

    Kalliri, Efthalia; Grzyska, Piotr K.; Hausinger, Robert P.

    2005-01-01

    Co II , Ni II , and N-oxalylglycine (NOG) are well-known inhibitors of Fe II /α-ketoglutarate (αKG)-dependent hydroxylases, but few studies describe their kinetics and no spectroscopic investigations have been reported. Using taurine/αKG dioxygenase (TauD) as a paradigm for this enzyme family, time-dependent inhibition assays showed that Co II and Ni II follow slow-binding inhibition kinetics. Whereas Ni II -substituted TauD was non-chromophoric, spectroscopic studies of the Co II -substituted enzyme revealed a six-coordinate site (protein alone or with αKG) that became five-coordinate upon taurine addition. The Co II spectrum was not perturbed by a series of anions or oxidants, suggesting the Co II is inaccessible and could be used to stabilize the protein. NOG competed weakly (K i ∼ 290 μM) with αKG for binding to TauD, with the increased electron density of NOG yielding electronic transitions for NOG-Fe II -TauD and taurine-NOG-Fe II -TauD at 380 nm (ε 38 90-105 M -1 cm -1 ). The spectra of the NOG-bound TauD species did not change significantly upon oxygen exposure, arguing against the formation of an oxygen-bound state mimicking an early intermediate in catalysis

  14. Qualitative and quantitative changes in phospholipids and proteins investigated by spectroscopic techniques in olfactory bulbectomy animal depression model.

    Science.gov (United States)

    Depciuch, J; Parlinska-Wojtan, M

    2018-01-30

    Depression becomes nowadays a high mortality civilization disease with one of the potential causes being impaired smell. In this study Raman, Fourier Transform Infra Red (FTIR) and Ultraviolet-Visible (UV-vis) spectroscopies were used to determine the changes in the quantity and structure of phospholipids and proteins in the blood serum of bulbectomized rats (OB_NaCl), which is a common animal depression model. The efficiency of amitriptyline (AMI) treatment was also evaluated. The obtained results show a significant decrease in the phospholipid and protein fractions (as well as changes in their secondary structures) in blood serum of bulbectomized rats. AMI treatment in bulbectomized rats increased protein level and did not affect the level of phospholipids. Structural information from phospholipids and proteins was obtained from UV-vis spectroscopy combined with the second derivative of the FTIR spectra. Indeed, the structure of proteins in blood serum of bulbectomized rats was normalized after amitriptyline therapy, while the damaged structure of phospholipids remained unaffected. These findings strongly suggest that impaired smell could be one of the causes of depression and may induce permanent (irreversible) damages into the phospholipid structure identified as shortened carbon chains. This study shows a possible new application of spectroscopic techniques in the diagnosis and therapy monitoring of depression. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Spectroscopic investigation into the design of solid-acid catalysts for the low temperature dehydration of ethanol.

    Science.gov (United States)

    Potter, Matthew E; Aswegen, Sivan V; Gibson, Emma K; Silverwood, Ian P; Raja, Robert

    2016-07-14

    The increased demand for bulk hydrocarbons necessitates research into increasingly sustainable, energy-efficient catalytic processes. Owing to intricately designed structure-property correlations, SAPO-34 has become established as a promising material for the low temperature ethanol dehydration to produce ethylene. However, further optimization of this process requires a precise knowledge of the reaction mechanism at a molecular level. In order to achieve this a range of spectroscopic characterization techniques are required to probe both the interaction with the active site, and also the wider role of the framework. To this end we employ a combination of in situ infra-red and neutron scattering techniques to elucidate the influence of the surface ethoxy species in the activation of both diethyl ether and ethanol, towards the improved formation of ethylene at low temperatures. The combined conclusions of these studies is that the formation of ethylene is the rate determining step, which is of fundamental importance towards the development of this process and the introduction of bio-ethanol as a viable feedstock for ethylene production.

  16. Investigation on spectroscopic parameters and molecular constants of BeS(X1Σ+) using MRCI theory

    International Nuclear Information System (INIS)

    Liu Hui; Xing Wei; Shi Deheng; Sun Jinfeng

    2012-01-01

    The potential energy curve (PEC) of BeS(X 1 Σ + ) molecule has been studied using MRCI approach with Davidson modification in conjunction with the cc-pV5Z basis set. Effects on the PECs by the core-valence correlation corrections and relativistic effects have been taken into account. The way to consider the relativistic effects is to use the second-order Douglas-Kroll Hamiltonian approximation. With the PEC including the core-valence correlation corrections and relativistic effects, the spectroscopic parameters of BeS(X 1 Σ + ) have been determined. These parameters are compared in detail with those of previous studies reported in the literature, and excellent agreement has been found between the available experimental data and the present ones. With the PEC corrected, the first 40 vibrational states for the non-rotating BeS are computed, and the vibrational level, inertial rotation and centrifugal distortion constants for each vibrational state are predicted. (authors)

  17. Probing the interaction of a therapeutic flavonoid, pinostrobin with human serum albumin: multiple spectroscopic and molecular modeling investigations.

    Directory of Open Access Journals (Sweden)

    Shevin R Feroz

    Full Text Available Interaction of a pharmacologically important flavonoid, pinostrobin (PS with the major transport protein of human blood circulation, human serum albumin (HSA has been examined using a multitude of spectroscopic techniques and molecular docking studies. Analysis of the fluorescence quenching data showed a moderate binding affinity (1.03 × 10(5 M(-1 at 25°C between PS and HSA with a 1∶1 stoichiometry. Thermodynamic analysis of the binding data (ΔS = +44.06 J mol(-1 K(-1 and ΔH = -15.48 kJ mol(-1 and molecular simulation results suggested the involvement of hydrophobic and van der Waals forces, as well as hydrogen bonding in the complex formation. Both secondary and tertiary structural perturbations in HSA were observed upon PS binding, as revealed by intrinsic, synchronous, and three-dimensional fluorescence results. Far-UV circular dichroism data revealed increased thermal stability of the protein upon complexation with PS. Competitive drug displacement results suggested the binding site of PS on HSA as Sudlow's site I, located at subdomain IIA, and was well supported by the molecular modelling data.

  18. Moessbauer studies on ancient Chinese pottery of Yangshao Culture Period

    Energy Technology Data Exchange (ETDEWEB)

    Zhengfang, Yu; Qi, Zheng; Yufang, Zheng

    1988-02-01

    Eleven pieces of ancient Chinese pottery (4770 B.C. - 2960 B.C.) of Yangshao Culture Period collected from the Xi'an area have been studied by means of Moessbauer spectroscopy. The samples were refired up to 1100/sup 0/C in steps of 100/sup 0/C for 2 h in air. The highest temperature up to which the Moessbauer pattern remains basically unchanged can be identified with the original firing temperature. The result indicates that the firing temperatures for most of the sherds were between 900-1000/sup 0/C. The function of the grit contained in the pottery has been discussed. The crimson and reddish painted materials on the surface of sherds have been studied, respectively. The first appearance of pottery can probably be traced back to an even earlier period.

  19. Moessbauer studies on ancient Chinese pottery of Yangshao Culture Period

    International Nuclear Information System (INIS)

    Yu Zhengfang; Zheng Qi; Zheng Yufang; Zhongshan Univ., Guangzhou

    1988-01-01

    Eleven pieces of ancient Chinese pottery (4770 B.C. - 2960 B.C.) of Yangshao Culture Period collected from the Xi'an area have been studied by means of Moessbauer spectroscopy. The samples were refired up to 1100 0 C in steps of 100 0 C for 2 h in air. The highest temperature up to which the Moessbauer pattern remains basically unchanged can be identified with the original firing temperature. The result indicates that the firing temperatures for most of the sherds were between 900-1000 0 C. The function of the grit contained in the pottery has been discussed. The crimson and reddish painted materials on the surface of sherds have been studied, respectively. The first appearance of pottery can probably be traced back to an even earlier period. (orig.)

  20. Moessbauer studies of impactites from Huamalies province in Huanuco Region

    International Nuclear Information System (INIS)

    Bustamante, A.; Espinoza, S.; Morales, G.; Scorzelli, R. B.

    2005-01-01

    This report is about the X-ray diffraction and Moessbauer studies of three impactite samples denominated PMe-8, PMe-9 and PMe-11 from Huamalies Province in Huanuco Region, Peru. When terrestrial rocks are submitted to pressures higher than 60 GP, the majority is completely melted, forming a kind of glass called impactites. X-ray diffraction indicates the presence of quartz as the principal mineralogical phase in all samples. The 57 Fe Moessbauer spectra at room temperature of samples PMe-8 and PMe-9 show broadened spectra that were fitted using a distribution model. The most probable field of the magnetic component is 34 T, corresponding to the presence of small particles of goethite, confirmed by the 4.2 K spectrum. For the sample PMe-11, the MS showed the presence of well crystallized hematite.