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Sample records for 57fe mossbauer spectroscopy

  1. /sup 57/Fe Mossbauer spectroscopy of U/sub 6/Fe

    SciTech Connect

    Lemon, G.; Boolchand, P.; Stevens, M.; DeLong, L.E.; Huber, J.G.; Marcuso, M.

    1986-04-01

    Samples of U/sub 6/Fe were prepared by arc melting U and enriched /sup 57/Fe. The samples display superconducting transitions which are sensitive to long-term exposure to air. Room temperature spectra of U/sub 6/Fe typically display a majority site A (quadrupole splitting ..delta.. = 0.749(3) mm/s, isomer shift delta = 0.482(6) mm/s relative to Cu) and a minority site B (..delta.. = 0.55(3) mm/s, sigma = 0.12(3) mm/s) with the site intensity ratio (I/sub B//I/sub A/) typically 0.05 to 0.10. The I/sub B//I/sub A/ intensity ratio increases upon air exposure of the samples. We have studied Moessbauer spectra as a function of temperature T in the range 15/sup 0/K less than or equal to T less than or equal to 310/sup 0/K paying particular attention to the T-variation of the isomer-shift and recoil-free-fraction of the majority site A. Results indicate a consistent softening of lattice vibrations of U/sub 6/Fe at T approx. = 170/sup 0/K.

  2. Mossbauer Spectroscopy.

    ERIC Educational Resources Information Center

    Stevens, John G.; Bowen, Lawrence H.

    1980-01-01

    Reviews current research in Mossbauer spectroscopy, including instrumentation and experimental techniques, spectral analysis, catalysts and surfaces, environmental studies, medical applications and atmospheric air studies. Cites 346 references. (CS)

  3. Mossbauer spectroscopy of moon samples.

    PubMed

    Muir, A H; Housley, R M; Grant, R W; Abdel-Gawad, M; Blander, M

    1970-01-30

    Lunar bulk sample 10084,85 (< 1 mm size dust), and samples from rocks 10017,17 (fine grained, vesicular), 10046,17 (breccia), 10057,59 (fine grained, vesicular, top surface), 10057,60 (fine grained, vesicular, interior), and 10058,24 (medium grained, not vesicular) have been investigated by (57)Fe Mössbauer spectroscopy. Iron metal and the Fe(2+) minerals ilmenite, pyroxene, troilite, and iron containing glass have been identified. An iron line of sample 10084,85 (originally sealed in nitrogen) showed no significant intensity change when the sample was exposed to air. The antiferromagnetic transition in several lunar ilmenites at 57(0) +/- 2 degrees K corresponds to stoichiometric FeTiO,. Magneticallv separated 10057 showed troilite and somne metallic iron.

  4. Mossbauer spectroscopy with synchrotron radiation

    SciTech Connect

    Alp, E.E.; Mooney, T.M.; Toellner, T.; Sturhahn, W.

    1993-07-01

    The principles underlying observation of the Mossbauer effect with synchrotron radiation are explained. The current status of the field is reviewed, and prospects for dedicated experimental stations on third generation machines are discussed.

  5. 57Fe quadrupole splitting and isomer shift in various oxyhemoglobins: study using Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Oshtrakh, M. I.; Berkovsky, A. L.; Kumar, A.; Kundu, S.; Vinogradov, A. V.; Konstantinova, T. S.; Semionkin, V. A.

    2010-04-01

    A comparative study of normal human, rabbit and pig oxyhemoglobins and oxyhemoglobin from patients with chronic myeloleukemia and multiple myeloma using Mössbauer spectroscopy with a high velocity resolution demonstrated small variations of the 57Fe quadrupole splitting and isomer shift. These variations may be a result of small structural differences in the heme iron stereochemistry of various hemoglobins.

  6. High-Pressure 57Fe Mössbauer Spectroscopy of LaFeAsO

    NASA Astrophysics Data System (ADS)

    Kawakami, Takateru; Kamatani, Takanori; Okada, Hironari; Takahashi, Hiroki; Nasu, Saburo; Kamihara, Yoichi; Hirano, Masahiro; Hosono, Hideo

    2009-12-01

    The electronic properties of an oxypnictide, LaFeAsO, pressurized in a diamond-anvil cell, were investigated by 57Fe Mössbauer spectroscopy and electrical resistance measurements at pressures up to 24 and 35 GPa, respectively. The Néel temperature gradually decreased from ˜140 K at 0.1 MPa to ˜50 K at 20 GPa, and fell below 8 K or disappeared at 24 GPa. The hyperfine field at 8 K decreased from 5.3 T at 0.1 MPa to 2.2 T at 20 GPa. On the other hand, the onset of superconductivity occurred at ˜9 K at 2 GPa. The superconductivity peaked at ˜21 K at 12 GPa, and then began a perceptible decline, disappearing at ˜35 GPa. This suggests that suppression of antiferromagnetic order plays an important role in the emergence of pressure-induced superconductivity.

  7. 57Fe Mössbauer spectroscopy on hydrogenated ScFe2

    NASA Astrophysics Data System (ADS)

    Smit, P. H.; Donkersloot, H. C.; Bushchow, K. H. J.

    1982-03-01

    The intermetallic compound ScFe2 is capable of absorping large amounts of hydrogen, which can be derived from the measured absorption isotherm and from the lattice constant before and after charging. The magnetic properties of ScFe2 are sensitive to small variations in the stoichiometry and are changed significantly after hydrogen absorption. Magnetization measurements and 57Fe Mössbauer spectroscopy have been performed on the stoichiometric composition and a composition somewhat excessive in iron. The increase in magnetic moment and hyperfine field at the iron nuclei are much smaller for the off-stoichiometric compound. From the temperature dependence of the Mössbauer spectra it is concluded that this effect is due to a difference between the two compositions in the occupation of the various interstitial holes by the hydrogen atoms. In the stoichiometric compounds an efficient shielding of the iron sublattice from the scandium sublattice results from a preferential, symmetric filling of the interstitial holes. In the off-stoichiometric composition the shielding is much less effective, since a fraction of the iron atoms occupy scandium positions and thereby affect the occupation of many interstitial holes.

  8. Magnetic anisotropy in FeSb studied by 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Komędera, K.; Jasek, A. K.; Błachowski, A.; Ruebenbauer, K.; Krztoń-Maziopa, A.

    2016-02-01

    The Fe1+xSb compound has been synthesized close to stoichiometry with x=0.023(8). The compound was investigated by 57Fe Mössbauer spectroscopy in the temperature range 4.2-300 K. The antiferromagnetic ordering temperature was found as 232 K i.e. much higher than for the less stoichiometric material. Regular iron was found to occupy two different positions in proportion 2:1. They differ by the electric quadrupole coupling constants and both of them exhibit extremely anisotropic electric field gradient tensor (EFG) with the asymmetry parameter η ≈ 1 . The negative component of both EFGs is aligned with the c-axis of the hexagonal unit cell, while the positive component is aligned with the <120> direction. Hence, a model describing deviation from the NiAs P63/mmc symmetry group within Fe-planes has been proposed. Spectra in the magnetically ordered state could be explained by introduction of the incommensurate spin spirals propagating through the iron atoms in the direction of the c-axis with a complex pattern of the hyperfine magnetic fields distributed within a-b plane. Hyperfine magnetic field pattern of spirals due to major regular iron is smoothed by the spin polarized itinerant electrons, while the minor regular iron exhibits hyperfine field pattern characteristic of the highly covalent bonds to the adjacent antimony atoms. The excess interstitial iron orders magnetically at the same temperature as the regular iron, and magnetic moments of these atoms are likely to form two-dimensional spin glass with moments lying in the a-b plane. The upturn of the hyperfine field for minor regular iron and interstitial iron is observed below 80 K. Magneto-elastic effects are smaller than for FeAs, however the recoilless fraction increases significantly upon transition to the magnetically ordered state.

  9. Holdup Measures on an SRNL Mossbauer Spectroscopy Instrument

    SciTech Connect

    Dewberry, R.; Brown, T.; Salaymeh, S.

    2010-05-05

    Gamma-ray holdup measurements of a Mossbauer spectroscopy instrument are described and modeled. In the qualitative acquisitions obtained in a low background area of Savannah River National Laboratory, only Am-241 and Np-237 activity were observed. The Am-241 was known to be the instrumental activation source, while the Np-237 is clearly observed as a source of contamination internal to the instrument. The two sources of activity are modeled separately in two acquisition configurations using two separate modeling tools. The results agree well, demonstrating a content of (1980 {+-} 150) {mu}Ci Am-241 and (110 {+-} 50) {mu}Ci of Np-237.

  10. Mossbauer Studies of Some Iron

    NASA Astrophysics Data System (ADS)

    Boyd, Darwin Lee

    ^{57}Fe Mossbauer spectroscopy was used to investigate several iron(III) spin crossover systems as well as a cold cholesteric liquid crystal. Tris thioseleno- and tris diselenocarbamates were found to be similar to their corresponding tris monothio and tris dithio complexes, showing increasing magnetic moment with increasing isomer shift and decreasing magnetic moment with increasing quadrupole splitting. These observations indicate that the tris thioseleno- and tris diselenocarbamates are, like their dithio analogs, spin crossover systems. Several mixed ligand thioseleno complexes were also studied and found to be similar to the corresponding dithio complexes. A possible trihydrate of Fe(S_2CN(CH _2CH_2OH) _2)_3 was investigated. Repeated attempts to reproduce a recently published four line Mossbauer spectrum for the trihydrate failed. It was concluded that the published methods actually result in the anhydrous complex. Heating of this complex in accordance with the published methods to produce the anhydrous complex resulted in decomposition. Anhydrous preparations of Fe(S_2CN(CH _2CH_2OH) _2)_3 when recrystallized from methanol without heating produced four line Mossbauer spectra at low temperatures. The temperature dependencies of the isomer shift, quadrupole splitting, and peak area indicate that, in this case, the interconversion rate between the two spin states has slowed to below the inverse of the Mossbauer time scale. This slowing is believed to be caused by partial solvation by small, nonstoichiometric, quantities of methanol. Cholesterol-2-(2-ethoxy ethoxy) ethyl carbonate was investigated via Mossbauer spectroscopy by dissolving into it 0.16wt% ^{57 }Fe enriched 1,1^' -diacetylferrocene. A glass transition temperature of 177 K and a Mossbauer Debye temperature of 32.7 K were measured. An increase in the average half width of the resonance lines above the glass transition temperature indicates the onset of diffusion in the supercooled liquid. A lack of

  11. In-field {sup 57}Fe Mössbauer spectroscopy below spin-flop transition in powdered troilite (FeS) mineral

    SciTech Connect

    Cuda, Jan Tucek, Jiri; Filip, Jan; Malina, Ondrej; Krizek, Michal; Zboril, Radek

    2014-10-27

    Powdered troilite (FeS), extracted from the Cape York IIIA octahedrite meteorite, was investigated employing in-field {sup 57}Fe Mössbauer spectroscopy. The study identified a typical behavior of polycrystalline antiferromagnetic material under external magnetic fields. The in-field evolution of the {sup 57}Fe Mössbauer spectra showed that the spin-flop transition in the FeS system occurs at a field higher than 5 T.

  12. 57 Fe Mössbauer probe of spin crossover thin films on a bio-membrane

    NASA Astrophysics Data System (ADS)

    Naik, Anil D.; Garcia, Yann

    2012-03-01

    An illustrious complex [Fe(ptz)6](BF4)2 (ptz = 1-propyl-tetrazole) ( 1) which was produced in the form of submicron crystals and thin film on Allium cepa membrane was probed by 57Fe Mossbauer spectroscopy in order to follow its intrinsic spin crossover. In addition to a weak signal that corresponds to neat SCO compound significant amount of other iron compounds are found that could have morphed from 1 due to specific host-guest interaction on the lipid-bilayer of bio-membrane. Further complimentary information about biogenic role of membrane, was obtained from variable temperature Mossbauer spectroscopy on a ~5% enriched [57Fe(H2O)6](BF4)2 salt on this membrane.

  13. Probe Mössbauer spectroscopy of mechanical alloying in binary Cr‐{sup 57}Fe(1 at%) system

    SciTech Connect

    Elsukov, Evgeny P. Kolodkin, Denis A. Ul'yanov, Alexander L. Porsev, Vitaly E.

    2014-10-27

    Solid state reactions during mechanical alloying (MA) in a binary mixture of powdered Cr and {sup 57}Fe in atomic ratio of 99:1 have been studied using {sup 57}Fe Mössbauer spectroscopy, X-ray diffraction and Auger spectrometry. The proposed model of MA includes formation of Cr(Fe){sub x}O{sub y} oxides at the contact places of Cr and Fe particles, formation of nanostructure with simultaneous dissolution of the oxides, penetration of Fe atoms along grain boundaries in close-to-boundary distorted zones of interfaces in a substitutional position, formation of the substitutional solid solution of Fe in Cr in the body of grains. It was shown that the increase in the BCC lattice parameter on increasing the milling time is due to the dissolution of oxides and formation of interstitial solid solution of O in Cr. There were established substantial differences in consumption of BCC Fe in a Mg → Al → Si → Cr sequence due to the major role of chemical interaction of Mg(Al,Si,Cr) with Fe.

  14. 57Fe Mössbauer spectroscopy, X-ray single-crystal diffractometry, and electronic structure calculations on natural alexandrite

    NASA Astrophysics Data System (ADS)

    Weber, Sven-Ulf; Grodzicki, Michael; Lottermoser, Werner; Redhammer, Günther J.; Tippelt, Gerold; Ponahlo, Johann; Amthauer, Georg

    2007-09-01

    Natural alexandrite Al2BeO4:Cr from Malyshevo near Terem Tschanka, Sverdlovsk, Ural, Russia, has been characterized by 57Fe Mössbauer spectroscopy, electron microprobe, X-ray single-crystal diffractometry and by electronic structure calculations in order to determine oxidation state and location of iron. The sample contains 0.3 wt% of total iron oxide. The 57Fe Mössbauer spectrum can be resolved into three doublets. Two of them with hyperfine parameters typical for octahedrally coordinated high-spin Fe3+ and Fe2+, respectively, are assigned to iron substituting for Al in the octahedral M2-site. The third doublet is attributed to Fe3+ in hematite. Electronic structure calculations in the local spin density approximation are in reasonable agreement with experimental data provided that expansion and/or distortion of the coordination octahedra are presumed upon iron substitution. The calculated hyperfine parameters of Fe3+ are almost identical for the M1 and M2 positions, but the calculated ligand-field splitting is by far too large for high-spin Fe3+ on M1.

  15. The quantitative determination of FeS2 phases in coal by means of 57Fe Mössbauer spectroscopy

    USGS Publications Warehouse

    Evans, B.J.; King, Hobart M.; Renton, John J.; Stiller, A.

    1990-01-01

    A knowledge of the concentration of pyrite and marcasite in coals can provide important insight into the genesis of coal deposits. Determinations of the relative amounts of pyrite and marcasite by traditional methods of coal analysis are, however, beset with many difficulties. Using 57Fe Mössbauer spectroscopy and a mild chemical treatment with hydrofluoric acid, a technique has been devised for the quantitative determination of the relative concentrations of pyrite and marcasite in samples of whole coals or their low-temperature ashes. The sample preparation procedure is comparable to less accurate methods. Good qualitative agreement has been obtained between ore microscopic and Mössbauer spectroscopic techniques for a series of extensively investigated whole coal samples.

  16. Thermal History of São João Nepomuceno (IVA) Iron Meteorite Inferred from Ganguly's Cooling Rate Model and 57Fe Mössbauer Spectroscopy Data

    NASA Astrophysics Data System (ADS)

    dos Santos, E.; Scorzelli, R. B.; Varela, M. E.

    2016-08-01

    The intracrystalline Fe-Mg distribution in orthopyroxenes, as measured by means of 57Fe Mössbauer spectroscopy and associated to Ganguly’s cooling rate numerical method, are used to infer the thermal history of São João Nepomuceno (IVA) meteorite.

  17. Mechanical strength and local structure of 'new' Hagi porcelain investigated by 57Fe-Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Kubuki, S.; Uehara, H.; Akagi, K.; Mikuni, A.; Isobe, N.; Homonnay, Z.; Sinkó, K.; Kuzmann, E.; Nishida, T.

    2010-03-01

    A relationship between the local structure and mechanical strength of 'new' Hagi porcelain 'A' and 'B' prepared by sintering two types of iron containing aluminosilicate soils under oxidizing and reducing atmospheres were investigated by means of 57Fe-Mössbauer spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), as well as three point bending test. The largest mechanical strength (σ) value of 64.3±3.1 MPa was estimated from the three-point bending test of reductively sintered Hagi porcelain 'A'. The Mössbauer spectrum was composed of two paramagnetic doublets due to tetrahedral FeII FeIII with the isomer shift (δ) values of 1.13±0.02 and 0.31±0.01 mm s-1. On the other hand, a paramagnetic doublet and a magnetic sextet with the δ values of 0.30±0.01 and 0.35±0.02 mm s-1 were observed from the Mössbauer spectra of other samples. It can be concluded that the mechanically strengthened Hagi porcelain was successfully fabricated by choosing soil 'A' and by sintering under a reducing atmosphere.

  18. Sensitivity of 57Fe emission Mössbauer spectroscopy to Ar and C induced defects in ZnO

    NASA Astrophysics Data System (ADS)

    Bharuth-Ram, K.; Mølholt, T. E.; Langouche, G.; Geburt, S.; Ronning, C.; Doyle, T. B.; Gunnlaugsson, H. P.; Johnston, K.; Mantovan, R.; Masenda, H.; Naidoo, D.; Ncube, M.; Gislason, H.; Ólafsson, S.; Weyer, G.

    2016-12-01

    Emission Mössbauer Spectroscopy (eMS) measurements, following low fluence (<1012 cm-2) implantation of 57Mn (t 1/2 = 1.5 min.) into ZnO single crystals pre-implanted with Ar and C ions, has been utilized to test the sensitivity of the 57Fe eMS technique to the different types of defects generated by the different ion species. The dominant feature of the Mössbauer spectrum of the Ar implanted ZnO sample was a magnetic hyperfine field distribution component, attributed to paramagnetic Fe3+, while that of the C implanted sample was a doublet attributed to substitutional Fe2+ forming a complex with the C dopant ions in the 2- state at O vacancies. Magnetization measurements on the two samples, on the other hand, yield practically identical m(H) curves. The distinctly different eMS spectra of the two samples display the sensitivity of the probe nucleus to the defects produced by the different ion species.

  19. Magnetic Interactions on Single-Crystal EuFe2As2 Studied by 57Fe Mössbauer Spectroscopy

    NASA Astrophysics Data System (ADS)

    Ikeda, Shugo; Yoshida, Kazuki; Kobayashi, Hisao

    2012-03-01

    Magnetic interactions on single-crystal AFe2As2 (A: Eu and Sr) were studied by 57Fe Mössbauer spectroscopy. An abrupt appearance of the effective magnetic hyperfine field (Beff) is observed at the spin density wave transition temperature (˜190 K for Eu and ˜200 K for Sr) in both samples. The value of Beff in EuFe2As2 shows a small but significant increase around the Néel temperature TNEu (=19 K) of the Eu2+ sublattice, while Beff in SrFe2As2 almost saturates at lower temperatures. Consistent with this, the isomer shift of EuFe2As2 indicates an anomalous temperature dependence below approximately TNEu. These results provide direct evidence of the coupling between the localized Eu2+ moments and the conduction electrons from the FeAs layers and suggest that this coupling may affect the observed superconductivity in EuFe2As2 under pressure.

  20. Theoretical 57Fe Mössbauer spectroscopy: isomer shifts of [Fe]-hydrogenase intermediates.

    PubMed

    Hedegård, Erik Donovan; Knecht, Stefan; Ryde, Ulf; Kongsted, Jacob; Saue, Trond

    2014-03-14

    Mössbauer spectroscopy is an indispensable spectroscopic technique and analytical tool in iron coordination chemistry. The linear correlation between the electron density at the nucleus ("contact density") and experimental isomer shifts has been used to link calculated contact densities to experimental isomer shifts. Here we have investigated relativistic methods of systematically increasing sophistication, including the eXact 2-Component (X2C) Hamiltonian and a finite-nucleus model, for the calculation of isomer shifts of iron compounds. While being of similar accuracy as the full four-component treatment, X2C calculations are far more efficient. We find that effects of spin-orbit coupling can safely be neglected, leading to further speedup. Linear correlation plots using effective densities rather than contact densities versus experimental isomer shift lead to a correlation constant a = -0.294 a0(-3) mm s(-1) (PBE functional) which is close to an experimentally derived value. Isomer shifts of similar quality can thus be obtained both with and without fitting, which is not the case if one pursues a priori a non-relativistic model approach. As an application for a biologically relevant system, we have studied three recently proposed [Fe]-hydrogenase intermediates. The structures of these intermediates were extracted from QM/MM calculations using large QM regions surrounded by the full enzyme and a solvation shell of water molecules. We show that a comparison between calculated and experimentally observed isomer shifts can be used to discriminate between different intermediates, whereas calculated atomic charges do not necessarily correlate with Mössbauer isomer shifts. Detailed analysis reveals that the difference in isomer shifts between two intermediates is due to an overlap effect.

  1. Probe Mössbauer spectroscopy of the evolution of mechanically alloyed Mo92O8(57Fe) system upon heat treatment

    NASA Astrophysics Data System (ADS)

    Yelsukov, E. P.; Protasov, A. V.; Voronina, E. V.; Dobysheva, L. V.; Arzhnikov, A. K.

    2012-07-01

    X-ray diffraction and Mögsbauer spectroscopy have been used to study the multistage character of the process of recovery to equilibrium in the course of isochronous (1 h) annealings (300-1300°C) of a mechanically alloyed nanocrystalline Mo92O8 system with 1 at % Mögsbauer isotope 57Fe. Three stages of the recovery to the equilibrium state have been established: at 300-700°C, the stage of structural relaxation; at 700-1100°C, the stage of normal grain growth and formation of a dislocation structure; and at 1100-1300°C, the stage of the formation of a composite Mo99 57Fe1/MoO2.

  2. Iron-oxide Aerogel and Xerogel Catalyst Formulations: Characterization by 57Fe Mössbauer and XAFS Spectroscopies

    SciTech Connect

    Huggins, F.; Bali, S; Huffman, G; Eyring, E

    2010-01-01

    Iron in various iron-oxide aerogel and xerogel catalyst formulations ({ge}85% Fe{sub 2}O{sub 3}; {le}10% K, Co, Cu, or Pd) developed for possible use in Fischer-Tropsch synthesis (FTS) or the water-gas-shift (WGS) reaction has been examined by {sup 57}Fe Moessbauer spectroscopy. The seventeen samples consisted of both as-prepared and calcined aerogels and xerogels and their products after use as catalysts for FTS or the WGS reaction. Complementary XAFS spectra were obtained on the occurrence of the secondary elements in some of the same materials. A broad, slightly asymmetric, two-peak Moessbauer spectrum was obtained from the different as-prepared and calcined catalyst formulations in the majority of cases. Such spectra could only be satisfactorily fit with three quadrupole doublet components, but no systematic trends in the isomer shift and quadrupole splitting parameters and area ratios of the individual components could be discerned that reflected variations in the composition or preparation of the aerogel or xerogel materials. However, significant reductions were noted in the Moessbauer effective thickness (recoilless absorption effect per unit mass of iron) parameter, {chi}{sub eff}/g, determined at room temperature, for aerogels and xerogels compared to bulk iron oxides, reflecting the openness and lack of rigidity of the aerogel and xerogel structures. Moessbauer measurements for two aerogels over the range from 15 to 292 K confirmed the greatly diminished nature of this parameter at room temperature. Major increases in the effective thickness parameter were observed when the open structure of the aerogel or xerogel collapsed during calcination resulting in the formation of iron oxides (hematite, spinel ferrite). Similar structural changes were indicated by increases in this parameter after use of iron-oxide aerogels as catalysts for FTS or the WGS reaction, during which the iron-oxide aerogel was converted to a mixture of nonstoichiometric magnetite and

  3. Mossbauer Investigation of 57Fe-Doped Ni(III) Perovskites ANi 0.98Fe 0.02O 3 ( A=Pr, Nd, Sm, Y, Lu, Tl) versus Temperature

    NASA Astrophysics Data System (ADS)

    Kim, Seung-Joo; Presniakov, Igor; Demazeau, Gerard; Pokholok, Konstantin; Baranov, Alexey; Sobolev, Alexey; Pankratov, Denis; Ovanesyan, Nikolay

    2002-10-01

    Nickelates ANiO 3 ( A=Pr, Nd, Sm, Lu, Y, Tl) containing Mössbauer probe 57Fe atoms were synthesized. In the case of nickelates with larger rare earth ( A=Pr, Nd, Sm) the Mössbauer spectra confirm that ferric ions are located in single type of crystallographic positions. On the contrary, the spectra of ANi 0.98Fe 0.02O 3 with small cations ( A=Lu, Y, Tl) can be described as a superposition of two sub-spectra which indicate that 57Fe probe atoms are simultaneously stabilized in two non-equivalent crystallographic positions. These results have been interpreted in terms of partial charge disproportionation of Ni 3+ cations associated with the electronic localization in monoclinic distorted Lu, Y, Tl nickelates. The modification of 57Fe spectra for TlNi 0.98Fe 0.02O 3 as a function of temperature has shown that this charge disproportionation occurs in varying degrees, corresponding to the charge states Fe (3+ σ)+ and Fe (3- σ')+ . On the contrary, the spectra for Lu and Y nickelates show that charge variation ( σ, σ') for dopant Fe(1) and Fe(2) cations does not depend on temperature.

  4. Mossbauer spectroscopy of iron in the Luna 20 regolith

    NASA Technical Reports Server (NTRS)

    Zemcik, T.; Raclavsky, K.

    1977-01-01

    Results of the Mossbauer effect measurements on Fe-57 in the average sample of the Luna 20 regolith, and their comparison with similar measurements of the Luna 16 samples are presented. Room temperature measurements of the nonmagnetic as well as magnetic components of the spectra were performed. By careful least-squares analysis, six quadrupole doublets in the inner parts of spectra were resolved. According to their splittings, they were interpreted as four types of iron in silicates (olivine, two inequivalent pyroxene sites, and a glassy fraction) and two types of nonmagnetic iron-titanium oxides (ilmenite and a spinel). Velocity-window measurements, were used to determine the average nickel content of (2.01 plus or minus 0.84) wt. %. These results are discussed in terms of distribution of iron among different phases. In comparison with the Luna 16 sample, the Luna 20 sample contains more olivine and less ilmenite as well as metal with a slightly higher nickel content.

  5. Copper(II) cyanido-bridged bimetallic nitroprusside-based complexes: Syntheses, X-ray structures, magnetic properties, {sup 57}Fe Moessbauer spectroscopy and thermal studies

    SciTech Connect

    Travnicek, Zdenek; Herchel, Radovan; Mikulik, Jiri; Zboril, Radek

    2010-05-15

    Three heterobimetallic cyanido-bridged copper(II) nitroprusside-based complexes of the compositions [Cu(tet)Fe(CN){sub 5}NO].H{sub 2}O (1), where tet=N,N'-bis(3-aminopropyl)ethylenediamine, [Cu(hto)Fe(CN){sub 5}NO].2H{sub 2}O (2), where hto=1,3,6,9,11,14-hexaazatricyclo[12.2.1.1{sup 6,9}]octadecane and [Cu(nme){sub 2}Fe(CN){sub 5}NO].H{sub 2}O (3), where nme=N-methylethylenediamine, were synthesized and characterized by elemental analyses, {sup 57}Fe Moessbauer and FTIR spectroscopies, thermal analysis, magnetic measurements and single-crystal X-ray analysis. The products of thermal degradation processes of 2 and 3 were studied by XRD, {sup 57}Fe Moessbauer spectroscopy, SEM and EDS, and they were identified as mixtures of CuFe{sub 2}O{sub 4} and CuO. - Three heterobimetallic cyano-bridged copper(II) nitroprusside-based complexes of the general compositions of [Cu(L)Fe(CN){sub 5}NO].xH{sub 2}O, where L=N,N'-bis(3-aminopropyl)ethylenediamine (complex 1), 1,3,6,9,11,14-hexaazatricyclo[12.2.1.1{sup 6,9}]-octadecane (complex 2) and N-methylethylenediamine (complex 3), were synthesized, and fully structurally and magnetically characterized. SEM, EDS, XRD and {sup 57}Fe Moessbauer experiments were used for characterization of thermal decomposition products of complexes 2 and 3.

  6. A study of thermodynamic properties of dilute Fe-Ru alloys by 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Idczak, R.; Konieczny, R.; Chojcan, J.

    2016-12-01

    The room temperature Mössbauer spectra of 57Fe were measured for Fe1- x Ru x solid solutions with x in the range 0.01 ≤ x ≤ 0.08. The obtained data were analysed in terms of short-range order parameter (SRO) and the binding energy E b between two ruthenium atoms in the studied materials using the extended Hrynkiewicz-Królas idea. The extrapolated value of E b for x = 0 was used to compute the enthalpy of solution H FeRu of Ru in Fe matrix. The result was compared with corresponding values given in the literature which were derived from experimental calorimetric data as well as with the value resulting from the cellular atomic model of alloys by Miedema. It was found that all the H FeRu values are negative or Ru atoms interact repulsively. At the same time, the Mössbauer data were used to determine values of the short-range order parameter α 1. For the as-obtained samples in which atoms are frozen-in high temperature state, close to the melting point, the negative α 1 values were found. The findings indicates ordering tendencies in such specimens. On the other hand, in the case of the annealed samples where the observed distributions of atoms should be frozen-in state corresponding to the temperature 700 K, the Fe1- x Ru x alloys with x ≥ 0.05 exhibit clustering tendencies (a predominance of Fe-Fe and Ru-Ru bonds), which manifest themselves by positive values of the calculated SRO parameter. The clustering process leads to a local increase in ruthenium concentration and nucleation of a new ruthenium-rich phase with the hcp structure.

  7. Thermal decomposition and reconstruction of CaFe-layered double hydroxide studied by X-ray diffractometry and 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Bugris, Valéria; Ádok-Sipiczki, Mónika; Anitics, Tamás; Kuzmann, Ernő; Homonnay, Zoltán; Kukovecz, Ákos; Kónya, Zoltán; Sipos, Pál; Pálinkó, István

    2015-06-01

    In spite of numerous investigations on the various processes of the thermal decomposition and rehydration of layered double hydroxides (LDHs) by a variety sophisticated experimental means, many details are still unexplored and some contradictions are still unresolved. In this work, our efforts were focussed on clarifying the composition, structure and properties of thermally decomposed metaphases originating from CaFe-LDH, heat treated in the 373-973 K temperature range. The structure reconstruction ability of mixed metal oxide phases obtained after heat treatments was also investigated, mainly concentrating on the changes in the microenvironment of Fe(III), in the presence of controlled amount of water vapour (i.e., at different relative humidities). All samples were characterised by X-ray diffractometry, and the iron-containing phases were studied by 57Fe Mössbauer spectroscopy.

  8. 57Fe Mössbauer spectroscopy of mineral assemblages in mantle spinel lherzolites from Cenozoic alkali basalt, eastern China: Petrological applications

    NASA Astrophysics Data System (ADS)

    Hao, Xi-Luo; Li, Yi-Liang

    2013-01-01

    Mineral assemblages in spinel lherzolite xenoliths from the Cenozoic alkali basalt of eastern China were analyzed by 57Fe Mössbauer spectroscopy for Fe3+/ΣFe and distribution of Fe2+/Fe3+ in non-equivalent crystal cites. Orthopyroxene, clinopyroxene and spinel have 0.08-0.13, 0.19-0.31 and 0.13-0.23 Fe3+/ΣFe, respectively. The cation-exchange equilibrium temperatures, Fe3+ partition coefficient and oxygen fugacity of the upper mantle peridotites were calculated. The equilibrium temperatures are between 1103 K and 1405 K consistent with those reported elsewhere. The oxygen fugacities of spinel lherzolites calculated with olivine-orthopyroxene-spinel (ΔlogƒO2 from - 1.1 to 0) and clinopyroxene-olivine-orthopyroxene oxybarometers (ΔlogƒO2 from - 2.0 to 0.7) are consistent with previously reported upper mantle values.

  9. IDENTIFICATION OF IRON PHASES IN BIOSOLIDS VIA MOSSBAUER SPECTROSCOPY

    EPA Science Inventory

    Continuous debate regarding inorganic and organic phases in biosolids as prominent sorbents of metals has yielded limited definitive data. We have demonstrated with X-ray absorption and X-ray fluorescence spectroscopies that metals in biosolids have a significant association with...

  10. Magnetic hysteresis properties and 57Fe Mössbauer spectroscopy of iron and stony-iron meteorites: Implications for mineralogy and thermal history

    NASA Astrophysics Data System (ADS)

    Dos Santos, E.; Gattacceca, J.; Rochette, P.; Scorzelli, R. B.; Fillion, G.

    2015-05-01

    Since the solid matter in our solar system began to assemble 4.57 billion years ago, meteorites have recorded a large range of processes, including metamorphism, melting, irradiation and hypervelocity impacts. These processes as well as solar system magnetic fields can be accessed through the investigation of magnetic properties of meteorites. In this work, we present magnetic hysteresis properties, isothermal remanent magnetization acquisition curves and 57Fe Mössbauer spectra for nineteen iron and eleven stony-iron meteorites. These data will be the background for a discussion about the thermal and shock history of these meteorites. Although Mössbauer spectroscopy and hysteresis measurements are not able to provide cooling rates like the conventional metallographic method does, we show that the combination of the ordering degree of taenite phase measured by Mössbauer spectroscopy and hysteresis properties are useful for constraining the thermal and shock history of meteorites. In particular, strong shock and the associated thermal event that result in disordering of tetrataenite can be easily identified.

  11. Real-Time Noise Reduction for Mossbauer Spectroscopy through Online Implementation of a Modified Kalman Filter

    SciTech Connect

    Abrecht, David G.; Schwantes, Jon M.; Kukkadapu, Ravi K.; McDonald, Benjamin S.; Eiden, Gregory C.; Sweet, Lucas E.

    2015-02-01

    Spectrum-processing software that incorporates a gaussian smoothing kernel within the statistics of first-order Kalman filtration has been developed to provide cross-channel spectral noise reduction for increased real-time signal-to-noise ratios for Mossbauer spectroscopy. The filter was optimized for the breadth of the gaussian using the Mossbauer spectrum of natural iron foil, and comparisons between the peak broadening, signal-to-noise ratios, and shifts in the calculated hyperfine parameters are presented. The results of optimization give a maximum improvement in the signal-to-noise ratio of 51.1% over the unfiltered spectrum at a gaussian breadth of 27 channels, or 2.5% of the total spectrum width. The full-width half-maximum of the spectrum peaks showed an increase of 19.6% at this optimum point, indicating a relatively weak increase in the peak broadening relative to the signal enhancement, leading to an overall increase in the observable signal. Calculations of the hyperfine parameters showed no statistically significant deviations were introduced from the application of the filter, confirming the utility of this filter for spectroscopy applications.

  12. Study of anodic dissolution of Fe-Ru alloy with the aid of mossbauer spectroscopy

    SciTech Connect

    Khlystov, A.S.; Fasman, A.B.; Kil'dibekova, G.A.

    1986-01-10

    This paper uses Fe 57 Mossbauer spectroscopy, whereby iron compounds may be identified quantitatively and their composition and structure can be determined, for the study of the relationships of slime formation from Fe-Ru binary alloys. Both the products of dissolution and the composition and state of intermediate phases formed at various stages of anodic dissolution were studied simultaneously. It was found that the slimes formed both during chemical and during electrochemical destruction of ruthenium-iron alloys are finely dispersed systems of complex composition, analogous to those formed in the course of electrochemical dissolution of Ni-Ru alloys, which were found to contain oxide phases of ruthenium (by x-ray spectroscopy and ESCA) and of nickel (by x-ray phase analysis). The difference between the slime compositions is determined mainly by kinetic factors.

  13. Observation of Enhancement of the Morin Transition Temperature in Iridium-Doped α-Fe2O3 Thin Film by 57Fe-Grazing Incidence Synchrotron Radiation Mössbauer Spectroscopy

    NASA Astrophysics Data System (ADS)

    Mitsui, Takaya; Mibu, Ko; Seto, Makoto; Kurokuzu, Masayuki; Pati, Satya Prakash; Nozaki, Tomohiro; Sahashi, Masashi

    2016-06-01

    The Morin transition of a (0001)-oriented iridium-doped α-Fe2O3 thin film deposited on an Al2O3(0001) substrate was studied by 57Fe-grazing incidence synchrotron radiation Mössbauer spectroscopy (GISRMS). Temperature-dependent spectra proved that the iridium doping markedly enhanced the Morin temperature of the α-Fe2O3 thin film; the iron spin directions were perpendicular to the film plane at temperatures below 100 °C, while they were in-plane at temperatures above 150 °C. The antiferromagnetic ordering was maintained far above 400 °C. The results demonstrated the availabilities of 57Fe-GISRMS, which enables a very quick evaluation of the magnetism in antiferromagnetic ultrathin films at high temperatures.

  14. Noncollinear Fe spin structure in (Sm-Co)/Fe exchange-spring bilayers: layer-resolved {sup 57}Fe Mssbauer spectroscopy and electronic structure calculations.

    SciTech Connect

    Uzdin, V. M.; Vega, A.; Khrenov, A.; Keune, W.; Kuncser, V. E.; Jiang, J. S.; Bader, S. D.

    2012-01-01

    Magnetization reversal in nanoscale (Sm-Co)/Fe (hard/soft) bilayer exchange-spring magnets with in-plane uniaxial magnetic anisotropy was investigated by magnetometry, conversion-electron Moessbauer spectroscopy (CEMS) and atomistic Fe spin-structure calculations. Magnetization loops along the easy direction exhibit signatures typical of exchange-spring magnets. In-field CEMS at inclined {gamma}-ray incidence onto thin (2 nm) {sup 57}Fe probe layers embedded at various depths in the 20-nm-thick natural (soft) Fe layer provides depth-dependent information (via the line-intensity ratio R{sub 23} as a function of the applied field H) about the in-plane rotation of Fe spins. A minimum in the R{sub 23}-vs-H dependence at (H{sub min}, R{sub min}) determines the field where Fe magnetic moments roughly adopt an average perpendicular orientation during their reversal from positive to negative easy-axis orientation. A monotonic decrease of H{sub min} with distance from the hard/soft interface is observed. Rotation of Fe spins takes place even in the interface region in applied fields far below the field of irreversible switching, H{sub irr}, of the hard phase. Formation of an Fe-Co alloy is detected in the interface region. For comparison, the noncollinear Fe spin structure during reversal and the resulting R{sub 23} ratio were obtained by electronic-structure calculations based on a quantum-mechanical Hamiltonian for itinerant electrons. The coupling at the hard/soft interface is described by the uniaxial exchange-anisotropy field, hint, as a parameter. Our calculated R{sub 23} ratios as a function of the (reduced) applied field h exhibit similar features as observed in the experiment, in particular a minimum at (h{sub min}, R{sub min}). R{sub min} is found to increase with hint, thus providing a measure of the interface coupling. Evidence is provided for the existence of fluctuations of the interface coupling. The calculations also show that the Fe spin spiral formed

  15. Identification of a green rust mineral in a reductomorphic soil by Mossbauer and Raman spectroscopies

    NASA Astrophysics Data System (ADS)

    Trolard, F.; Génin, J.-M. R.; Abdelmoula, M.; Bourrié, G.; Humbert, B.; Herbillon, A.

    1997-03-01

    Mössbauer and Raman spectroscopies are used to identify for the first time a green rust as a mineral in a reductomorphic soil from samples extracted in the forest of Fougères (Brittany-France). The Mossbauer spectrum displays two characteristic ferrous and ferric quadrupole doublets, the abundance ratio Fe(II)/Fe(Ill) of which is close to 1. Comparison with synthetic mixed valence Fe(II)Fe(HI) hydroxides supports the conclusion that the most probable formula is Fe2(OH)5, i.e., according to the pyroaurite-like crystal structure [Fe(n1Fe1III)(OH),]+o [OH] -. The microprobe Raman spectrum exhibits two bands at 518 and 427 cm-' as for synthetic green rusts. When exposed to the air, the new mineral goes rapidly from bluish-green to ochrous. The formula is compatible with the values of ionic activity products Q for equilibria between aqueous iron species and minerals obtained from soil waters, which suggests that this new mineral is likely to control the mobility of Fe in the environment.

  16. Mossbauer spectroscopy and X-ray diffraction of samples from the Santa Catharina iron meteorite

    NASA Technical Reports Server (NTRS)

    Roy-Poulsen, H.; Clarke, R. S., Jr.; Jensen, G. B.; Knudsen, J. M.; Larsen, L.; Roy-Poulsen, N. O.; Vistisen, L.

    1984-01-01

    Conversion electron Mossbauer spectroscopy (CEMS) of samples from the Santa Catharina iron meteorite shows the presence of the ordered iron-nickel phase with 50% Ni, tetrataenite, and of the paramagnetic iron-nickel phase with 25% Ni. The FeNi phase with 50% Ni amounts to 70% of the iron-nickel alloys. Futhermore, the CEM spectra show the presence of small peaks from one or more spinel compounds. These small peaks are more pronounced when regions near the rim of the samples are analyzed. The X-ray diffraction of different areas of the samples, both optically dark and optically light areas, shows the presence of a diffraction pattern from a single f.c.c. lattice with a lattice parameter of a=3.58A This means that the two different Fe-Ni phases seen in the CEMS analysis occupy the same lattice. The X-ray photographs also show the presence of super-structure reflections from the ordered FeNi phase, and that the orientation of the f.c.c. lattice is the same within the whole sample.

  17. Transition to collapsed tetragonal phase in CaFe2As2 single crystals as seen by 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan; Ran, Sheng; Valentí, Roser; Canfield, Paul C.

    2016-01-01

    Temperature dependent measurements of 57Fe Mössbauer spectra on CaFe2As2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area, and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ˜25 % on cooling from room temperature to ˜100 K in the tetragonal phase and is only weakly temperature dependent at low temperatures in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements, we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe2As2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z coordinate. Based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe-As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.

  18. Transition to collapsed tetragonal phase in CaFe2As2 single crystals as seen by 57Fe Mössbauer spectroscopy

    DOE PAGES

    Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan; Ran, Sheng; Valentí, Roser; Canfield, Paul C.

    2016-01-21

    Temperature dependent measurements of 57Fe Mössbauer spectra on CaFe2As2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area, and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ~25% on cooling from room temperature to ~100 K in the tetragonal phase and is only weakly temperature dependent at low temperaturesmore » in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements, we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe2As2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z coordinate. Furthermore, based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe-As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.« less

  19. Fe-implanted 6H-SiC: Direct evidence of Fe{sub 3}Si nanoparticles observed by atom probe tomography and {sup 57}Fe Mössbauer spectroscopy

    SciTech Connect

    Diallo, M. L.; Fnidiki, A. Lardé, R.; Cuvilly, F.; Blum, I.; Lechevallier, L.; Debelle, A.; Thomé, L.; Viret, M.; Marteau, M.; Eyidi, D.; Declémy, A.

    2015-05-14

    In order to understand ferromagnetic ordering in SiC-based diluted magnetic semiconductors, Fe-implanted 6H-SiC subsequently annealed was studied by Atom Probe Tomography, {sup 57}Fe Mössbauer spectroscopy and SQUID magnetometry. Thanks to its 3D imaging capabilities at the atomic scale, Atom Probe Tomography appears as the most suitable technique to investigate the Fe distribution in the 6H-SiC host semiconductor and to evidence secondary phases. This study definitely evidences the formation of Fe{sub 3}Si nano-sized clusters after annealing. These clusters are unambiguously responsible for the main part of the magnetic properties observed in the annealed samples.

  20. Interplay of magnetism and superconductivity in EuFe2(As1-xPx)2 single crystals probed by muon spin rotation and 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Goltz, T.; Kamusella, S.; Jeevan, H. S.; Gegenwart, P.; Luetkens, H.; Materne, P.; Spehling, J.; Sarkar, R.; Klauss, H.-H.

    2014-12-01

    We present our results of a local probe study on EuFe2(As1-xPx)2 single crystals with x=0.13, 0.19 and 0.28 by means of muon spin rotation and 57Fe Mössbauer spectroscopy. We focus our discussion on the sample with x=0.19 viz. at the optimal substitution level, where bulk superconductivity (TSC = 28 K) sets in above static europium order (TEu = 20 K) but well below the onset of the iron antiferromagnetic (AFM) transition (~100 K). We find enhanced spin dynamics in the Fe sublattice closely above TSC and propose that these are related to enhanced Eu fluctuations due to the evident coupling of both sublattices observed in our experiments.

  1. In-beam Mössbauer spectroscopy of (57)Fe/(57)Mn in MgO and NaF at Heavy-Ion Medical Accelerator in Chiba.

    PubMed

    Kubo, M K; Kobayashi, Y; Yamada, Y; Mihara, M; Nagatomo, T; Sato, W; Miyazaki, J; Sato, S; Kitagawa, A

    2014-02-01

    Development of efficient ion supply of (58)Fe from (58)Fe(C5H5)2, and quick switching between therapy and material science at the Heavy-Ion Medical Accelerator in Chiba realized a new (57)Mn in-beam emission Mössbauer spectroscopy measurement system. Application to simple binary chemical compounds, MgO and NaF, proved the usefulness of the system to probe chemical and physical behaviors of trace impurities in solids. Annealing of lattice defects produced by the implantation and β-decay of (57)Mn and/or γ-ray emission recoil was observed by a local probe.

  2. Fe-doped ZnO nanoparticles: the oxidation number and local charge on iron, studied by 57Fe Mößbauer spectroscopy and DFT calculations.

    PubMed

    Xiao, Jianping; Kuc, Agnieszka; Pokhrel, Suman; Mädler, Lutz; Pöttgen, Rainer; Winter, Florian; Frauenheim, Thomas; Heine, Thomas

    2013-03-01

    Iron bru: Fe-doped ZnO may contain Fe(2+) and Fe(3+) species. Whilst Mößbauer spectroscopy can distinguish these sites in pure oxides FeO and Fe(2)O(3), it gives very similar shifts for Fe-doped phases. This result is rationalized by electron redistribution from the dopant site to the crystal matrix. Mößbauer shifts correlate with the local charge on the Fe sites and different dopant sites can be identified by the Mößbauer quadrupole splitting (see figure). PMID:23400908

  3. Correlations between mass activity and physicochemical properties of Fe/N/C catalysts for the ORR in PEM fuel cell via 57Fe Mössbauer spectroscopy and other techniques.

    PubMed

    Kramm, Ulrike I; Lefèvre, Michel; Larouche, Nicholas; Schmeisser, Dieter; Dodelet, Jean-Pol

    2014-01-22

    The aim of this work is to clarify the origin of the enhanced PEM-FC performance of catalysts prepared by the procedures described in Science 2009, 324, 71 and Nat. Commun. 2011, 2, 416. Catalysts were characterized after a first heat treatment in argon at 1050 °C (Ar) and a second heat treatment in ammonia at 950 °C (Ar + NH3). For the NC catalysts a variation of the nitrogen precursor was also implemented. (57)Fe Mössbauer spectroscopy, X-ray photoelectron spectroscopy, neutron activation analysis, and N2 sorption measurements were used to characterize all catalysts. The results were correlated to the mass activity of these catalysts measured at 0.8 V in H2/O2 PEM-FC. It was found that all catalysts contain the same FeN4-like species already found in INRS Standard (Phys. Chem. Chem. Phys. 2012, 14, 11673). Among all FeN4-like species, only D1 sites, assigned to FeN4/C, and D3, assigned to N-FeN2+2 /C sites, were active for the oxygen reduction reaction (ORR). The difference between INRS Standard and the new catalysts is simply that there are many more D1 and D3 sites available in the new catalysts. All (Ar + NH3)-type catalysts have a much larger porosity than Ar-type catalysts, while the maximum number of their active sites is only slightly larger after a second heat treatment in NH3. The large difference in activity between the Ar-type catalysts and the Ar + NH3 ones stems from the availability of the sites to perform ORR, as many sites of the Ar-type catalysts are secluded in the material, while they are available at the surface of the Ar + NH3-type catalysts.

  4. Reflectance and Mossbauer spectroscopy of ferrihydrite-montmorillonite assemblages as Mars soil analog materials.

    PubMed

    Bishop, J L; Pieters, C M; Burns, R G

    1993-01-01

    Spectroscopic analyses show that Fe(3+)-doped smectites prepared in the laboratory exhibit important similarities to the soils on Mars. Ferrihydrite has been identified as the interlayer ferric component in Fe(3+)-doped smectites by a low quadrupole splitting and magnetic field strength of approximately 48 tesla in Mossbauer spectra measured at 4.2 K, as well as a crystal field transition at 0.92 micrometer. Ferrihydrite in these smectites explains features in the visible-near infrared region that resemble the energies and band strengths of features in reflectance spectra observed for several bright regions on Mars. Clay silicates have met resistance in the past as Mars soil analogs because terrestrial clay silicates exhibit prominent hydrous spectral features at 1.4, 1.9, and 2.2 micrometers; and these are observed weakly, if at all, in reflectance spectra of Mars. However, several mechanisms can weaken or compress these features, including desiccation under low-humidity conditions. The hydration properties of the interlayer cations also effect band strengths, such that a ferrihydrite-bearing smectite in the Martian environment would exhibit a 1.9 micrometers H2O absorption that is even weaker than the 2.2 micrometers structural OH absorption. Mixing experiments demonstrate that infrared spectral features of clays can be significantly suppressed and that the reflectance can be significantly darkened by mixing with only a few percent of a strongly absorbing opaque material. Therefore, the absolute reflectance of a soil on Mars may be disproportionately sensitive to a minor component. For this reason, the shape and position of spectral features and the chemical composition of potential analogs are of utmost importance in assessing the composition of the soil on Mars. Given the remarkable similarity between visible-infrared reflectance spectra of soils in bright regions on Mars and Fe(3+)-doped montmorillonites, coupled with recent observations of smectites in SNC

  5. Reflectance and Mossbauer spectroscopy of ferrihydrite-montmorillonite assemblages as Mars soil analog materials

    NASA Technical Reports Server (NTRS)

    Bishop, J. L.; Pieters, C. M.; Burns, R. G.; Chang, S. (Principal Investigator)

    1993-01-01

    Spectroscopic analyses show that Fe(3+)-doped smectites prepared in the laboratory exhibit important similarities to the soils on Mars. Ferrihydrite has been identified as the interlayer ferric component in Fe(3+)-doped smectites by a low quadrupole splitting and magnetic field strength of approximately 48 tesla in Mossbauer spectra measured at 4.2 K, as well as a crystal field transition at 0.92 micrometer. Ferrihydrite in these smectites explains features in the visible-near infrared region that resemble the energies and band strengths of features in reflectance spectra observed for several bright regions on Mars. Clay silicates have met resistance in the past as Mars soil analogs because terrestrial clay silicates exhibit prominent hydrous spectral features at 1.4, 1.9, and 2.2 micrometers; and these are observed weakly, if at all, in reflectance spectra of Mars. However, several mechanisms can weaken or compress these features, including desiccation under low-humidity conditions. The hydration properties of the interlayer cations also effect band strengths, such that a ferrihydrite-bearing smectite in the Martian environment would exhibit a 1.9 micrometers H2O absorption that is even weaker than the 2.2 micrometers structural OH absorption. Mixing experiments demonstrate that infrared spectral features of clays can be significantly suppressed and that the reflectance can be significantly darkened by mixing with only a few percent of a strongly absorbing opaque material. Therefore, the absolute reflectance of a soil on Mars may be disproportionately sensitive to a minor component. For this reason, the shape and position of spectral features and the chemical composition of potential analogs are of utmost importance in assessing the composition of the soil on Mars. Given the remarkable similarity between visible-infrared reflectance spectra of soils in bright regions on Mars and Fe(3+)-doped montmorillonites, coupled with recent observations of smectites in SNC

  6. Distinguishing Na, K, and H3O+ Jarosite and Alunite on Mars using VNIR, Emittance and Mossbauer Spectroscopy on the MER and Mars Express/OMEGA Missions

    NASA Astrophysics Data System (ADS)

    Bishop, J. L.; Rothstein, Y.; Dyar, M. D.; Lane, M. D.; Klima, R. L.; Brophy, G. P.

    2005-12-01

    Jarosite has been identified in layered outcrops in Meridiani by the MER Mossbauer spectrometer [Klingelhofer, et al., 2004] and may be present elsewhere on Mars. We are studying VNIR, emittance and Mossbauer spectroscopy of a suite of synthetic and natural samples of jarosite and alunite from the Brophy collection [e.g. Brophy and Sheridan, 1965]. The characteristic NIR overtones and combination bands in this group differ not only depending on the trivalent cation (e.g. Al for alunite and Fe for jarosite), but also depending on the type of monovalent cation (typically K, Na and/or H3O). The VNIR spectrum of K-jarosite exhibits an OH stretching band at 1.47 um, an OH stretch + 2 bend combination doublet at 1.849 and 1.864 um, plus an OH stretch + bend combination triplet at 2.215, 2.265, and 2.300 um and additional OH and SO4 combination features near 2.40, 2.46, 2.50, 2.60 and 2.62 um. H3O- and Na-jarosite spectra exhibit broader features and the doublet is less resolvable. The spectrum of Na-jarosite contains a band at 1.48 um, a broad asymmetric band near 1.85 um and a triplet near 2.235, 2.275, and 2.310 um, plus additional features near 2.42, 2.47, 2.52, 2.62 and 2.64 um. Band assignments for jarosite and alunite spectra are from Bishop and Murad [2005]. We are in the process of comparing these spectra with the mid-IR and Mossbauer spectra of this jarosite group sample suite in order to perform coordinated analyses for this sulfate group on Mars using the MER and Mars Express datasets. References: Bishop, J. L., and E. Murad (2005), The visible and infrared spectral properties of jarosite and alunite, Am. Miner., 90, 1100-1107. Brophy, G. P., and M. F. Sheridan (1965), Sulfate studies IV: The jarosite-natrojarosite-hydronium jarosite solid solution series, Am. Miner., 50, 1595-1607. Klingelhofer, G., et al. (2004), Jarosite and hematite at Meridiani Planum from Opportunity's Mossbauer spectrometer, Science, 306, 1740-1745.

  7. Mossbauer research of Fe/Co nanotubes based on track membranes

    NASA Astrophysics Data System (ADS)

    Kozlovskiy, A.; Zhanbotin, A.; Zdorovets, M.; Manakova, I.; Ozernoy, A.; Kiseleva, T.; Kadyrzhanov, K.; Rusakov, V.; Kanyukov, E.

    2016-08-01

    Fe/Co nanostructures obtained by template synthesis have been researched in this study. It was shown that the obtained nanostructures are single-phase Fe/Co nanotubes with a high degree of polycrystallinity and body-centered cubic structure with a length of 12 μm, possessing diameter of 110 ± 5 nm, and wall thickness of 18-20 nm. The direction of easy magnetization axis lies along the nanotubes axis due to the anisotropy shape of the nanotubes. Mossbauer spectroscopy showed that the hyperfine magnetic field (Hn) values on 57Fe nuclei increase with increasing number of Co atoms near Fe atoms. Substitution of one Fe atom on Co atom leads to an increase of (Hn) to approximately 9.0 ± 0.4 KOe, herewith shift of the Mossbauer line decreasing to about 0.004 ± 0.002 mm/s. The local magnetic texture along the nanotubes axis was found with the average angle between magnetic moment and the nanotubes axis ϑ bar = 25 - 29 ° .

  8. Mössbauer evidence of 57Fe3O4 based ferrofluid biodegradation in the brain

    NASA Astrophysics Data System (ADS)

    Polikarpov, D.; Cherepanov, V.; Chuev, M.; Gabbasov, R.; Mischenko, I.; Nikitin, M.; Vereshagin, Y.; Yurenia, A.; Panchenko, V.

    2014-04-01

    The ferrofluid, based on 57Fe isotope enriched Fe3O4 nanoparticles, was synthesized, investigated by Mössbauer spectroscopy method and injected transcranially in the ventricle of the rat brain. The comparison of the Mössbauer spectra of the initial ferrofluid and the rat brain measured in two hours and one week after the transcranial injection allows us to state that the synthesized magnetic 57Fe3O4 nanoparticles undergo intensive biodegradation in live brain and, therefore, they can be regarded as a promising target for a new method of radionuclide-free Mössbauer brachytherapy.

  9. Synthesis, structure, magnetic susceptibility and Mossbauer and Raman spectroscopies of the new oxyphosphate Fe{sub 0.50}TiO(PO{sub 4})

    SciTech Connect

    Benmokhtar, S. . E-mail: s.benmokhtar@univh2m.ac.ma; El Jazouli, A.; Chaminade, J.P.; Gravereau, P.; Wattiaux, A.; Fournes, L.; Grenier, J.C.; Waal, D.

    2006-12-15

    A new iron titanyl oxyphosphate Fe{sub 0.50}TiO(PO{sub 4}) was synthesized by both solid-state reaction and Cu{sup 2+}-Fe{sup 2+} ion exchange method. The material was then characterized by X-ray diffraction, Mossbauer spectroscopy, magnetic susceptibility measurements and Raman spectroscopy. The crystal structure of the compound was refined, using X-ray powder diffraction data, by Rietveld profile method; it crytallizes in the monoclinic system, space group P2{sub 1}/c (No.14), with a=7.4039(3)A, b=7.3838(3)A, c=7.4083(3)A, {beta}=120.36{sup o}(1), V=349.44(2)A{sup 3} and Z=4. The volume of the title compound is comparable to those of the M{sub 0.50}{sup II}TiO(PO{sub 4}) series, where M{sup II}=Mg, Co, Ni and Zn. The framework is built up from [TiO{sub 6}] octahedra and [PO{sub 4}] tetrahedra. [TiO{sub 6}] octahedra are linked together by corners and form infinite chains along the c-axis. Ti atoms are displaced from the center of octahedral units showing an alternating short distance (1.73A) and a long one (2.22A). These chains are linked together by [PO{sub 4}] tetrahedra. Fe{sup 2+} cations occupy a triangle-based antiprism sharing two faces with two [TiO{sub 6}] octahedra. Mossbauer and magnetic measurements show the existence of iron only in divalent state, located exclusively in octahedral sites with high spin confition (t{sub 2g}{sup 4}e{sub g}{sup 2}). Raman study confirms the existence of Ti-O-Ti chains.

  10. Nuclear quadrupole moment of 57Fe from microscopic nuclear and atomic calculations.

    PubMed

    Martínez-Pinedo, G; Schwerdtfeger, P; Caurier, E; Langanke, K; Nazarewicz, W; Söhnel, T

    2001-08-01

    The nuclear quadrupole moment (NQM) of the Ipi = 3/2(-) excited nuclear state of 57Fe at 14.41 keV, important in Mössbauer spectroscopy, is determined from the large-scale nuclear shell-model calculations for 54Fe, 57Fe, and also from the electronic ab initio and density functional theory calculations including solid state and electron correlation effects for the molecules Fe(CO)(5) and Fe(C5H5)(2). Both independent methods yield very similar results. The recommended value is 0.15(2) e b. The NQM of the isomeric 10+ in 54Fe has also been calculated. The new NQM values for 54Fe and 57Fe are consistent with the perturbed angular distribution data.

  11. Crystal structure, magnetic properties, and 57Fe Mössbauer spectroscopy of the two-dimensional coordination polymers [M(1,2-bis(1,2,4-triazol-4-yl)ethane)2(NCS)2] (MII = Fe, Co).

    PubMed

    Garcia, Yann; Bravic, Georges; Gieck, Christine; Chasseau, Daniel; Tremel, Wolfgang; Gütlich, Philipp

    2005-12-26

    New coordination polymers of the formula [M(btre)(2)(NCS)(2)] (btre = 1,2-bis(1,2,4-triazol-4-yl)ethane; M(II) = Fe, Co) have been synthesized, and their crystal structures have been determined at 293 K by X-ray analysis. The Fe(II) compound (C(7)H(8)FeN(7)S(2)) crystallizes in the monoclinic space group P2(1)/n, a = 12.439(5) A, b = 8.941(2) A, c = 9.321(3) A, beta = 90.88(2) degrees , V = 1036.6(6) A(3), Z = 2, 3791 reflections [I > 3sigma(I)], R(F) = 0.036, wR2 = 0.123. The Co(II) compound is isostructural to the Fe(II) compound. The crystal structure consists of a 2D sheet in which the metal ions are linked by bis monodentate (N1, N1') 1,2,4-triazole ligands. The structure is stabilized by pi-bond interactions between two adjacent sheets and by S...S interactions. Temperature-dependent SQUID, (57)Fe Mössbauer, and X-ray diffraction measurements indicate that [Fe(btre)(2)(NCS)(2)] retains a HS ground state upon cooling from 293 K down to 8 K. The surprising absence of spin-crossover behavior for this Fe(II)-1,2,4-triazole polymeric coordination compound that has been confirmed by pressure experiments up to approximately 12 kbar and by light irradiation experiments at 10 K is discussed on the basis of its structural features. Insight into the origin of the cooperative effects of the spin transition in [Fe(btr)(2)(NCS)(2)].H(2)O (btr = 4,4'-bis-1,2,4-triazole) is also given thanks to a re-evaluation of its distortion parameters in the high- and low-spin states. PMID:16363841

  12. 57Fe Mössbauer study of Lu2Fe3Si5 iron silicide superconductor

    DOE PAGES

    Ma, Xiaoming; Ran, Sheng; Pang, Hua; Li, Fashen; Canfield, Paul C.; Bud'ko, Sergey L.

    2015-08-01

    With the advent of Fe–As based superconductivity it has become important to study how superconductivity manifests itself in details of 57Fe Mössbauer spectroscopy of conventional, Fe-bearing superconductors. The iron-based superconductor Lu2Fe3Si5 has been studied by 57Fe Mössbauer spectroscopy over the temperature range from 4.4 K to room temperature with particular attention to the region close to the superconducting transition temperature (Tc=6.1 K). Consistent with the two crystallographic sites for Fe in this structure, the observed spectra appear to have a pattern consisting of two doublets over the whole temperature range. Furthermore, the value of Debye temperature was estimated from temperaturemore » dependence of the isomer shift and the total spectral area and compared with the specific heat capacity data. Neither abnormal behavior of the hyperfine parameters at or near Tc, nor phonon softening were observed.« less

  13. Fe^2^+-Mg Order-Disorder Processes in Orthopyroxenes from São João Nepomuceno (IVA) Iron Meteorite: ^57Fe Mössbauer Spectroscopy and Single-Crystal X-Ray Diffraction Studies

    NASA Astrophysics Data System (ADS)

    Dos Santos, E.; Scorzelli, R. B.; Abdu, Y. A.; Varela, M. E.; Munayco, P.

    2013-09-01

    Here we study cation distribution in orthopyroxenes from São João Nepomuceno meteorite by Mössbauer spectroscopy, electron microprobe and single-crystal X-ray diffraction, in order to get insights into the thermal history of this meteorite.

  14. Ultra-soft magnetic properties and correlated phase analysis by 57Fe Mössbauer spectroscopy of Fe74Cu0.8Nb2.7Si15.5B7 alloy

    NASA Astrophysics Data System (ADS)

    Manjura Hoque, S.; Liba, S. I.; Anirban, A.; Choudhury, Shamima; Akhter, Shireen

    2016-02-01

    A detailed study of magnetic softness has been performed on FINEMENT type of ribbons by investigating the BH loop with maximum applied field of 960 A/m. The ribbon with the composition of Fe74Cu0.8Nb2.7Si15.5B7 was synthesized by rapid solidification technique and the compositions volume fraction was controlled by changing the annealing condition. Detail phase analysis was performed through X-ray diffraction (XRD), Differential scanning calorimetry (DSC), Vibrating sample magnetometer (VSM) and Mössbauer spectroscopy in order to correlate the ultrasoft magnetic properties with the volume fraction of amorphous and α-Fe(Si) soft nano composites. Bright (BF) and dark field (DF) image with selective area diffraction (SAD) patterns by the transmission electron microscopy (TEM) of the sample annealed for the optimized annealed condition at 853 K for 3 min reveals nanocrystals with an average size between 10-15 nm possessing the bcc structure which matches with the grain size revealed by the X-ray diffraction. Kinetics of crystallization of α-Fe(Si) phases has been determined by DSC curves. Extremely small coercivity of 30.9 A/m and core loss of 2.5 W/Kg for the sample annealed at 853 K for 3 min was found. Similar values for other crystalline conditions were determined by using BH loop tracer with a maximum applied field of around 960 A/m. Mössbauer spectroscopy was used to determine chemical shift, hyperfine field distribution (HFD), and peak width of different phases. The volume fractions of the relative amount of amorphous and crystalline phases are also determined by Mössbauer spectroscopy. High saturation magnetization along with ultrasoft magnetic properties exhibits very high potentials technological applications.

  15. In-beam Mössbauer spectroscopy of {sup 57}Fe/{sup 57}Mn in MgO and NaF at Heavy-Ion Medical Accelerator in Chiba

    SciTech Connect

    Kubo, M. K.; Kobayashi, Y.; Yamada, Y.; Mihara, M.; Nagatomo, T.; Sato, W.; Miyazaki, J.; Sato, S.; Kitagawa, A.

    2014-02-15

    Development of efficient ion supply of {sup 58}Fe from {sup 58}Fe(C{sub 5}H{sub 5}){sub 2}, and quick switching between therapy and material science at the Heavy-Ion Medical Accelerator in Chiba realized a new {sup 57}Mn in-beam emission Mössbauer spectroscopy measurement system. Application to simple binary chemical compounds, MgO and NaF, proved the usefulness of the system to probe chemical and physical behaviors of trace impurities in solids. Annealing of lattice defects produced by the implantation and β-decay of {sup 57}Mn and/or γ-ray emission recoil was observed by a local probe.

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

    NASA Astrophysics Data System (ADS)

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

    1993-04-01

    Mössbauer 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, Mössbauer 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 Mössbauer 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.

  17. Assessment of the optimum degree of Sr{sub 3}Fe{sub 2}MoO{sub 9} electron-doping through oxygen removal: An X-ray powder diffraction and {sup 57}Fe Moessbauer spectroscopy study

    SciTech Connect

    Lopez, Carlos A.; Viola, Maria del C.; Pedregosa, Jose C.; Mercader, Roberto C.

    2010-10-15

    We describe the preparation and structural characterization by X-ray powder diffraction (XRPD) and Moessbauer spectroscopy of three electron-doped perovskites Sr{sub 3}Fe{sub 2}MoO{sub 9-{delta}} with Fe/Mo = 2 obtained from Sr{sub 3}Fe{sub 2}MoO{sub 9}. The compounds were synthesized by topotactic reduction with H{sub 2}/N{sub 2} (5/95) at 600, 700 and 800 {sup o}C. Above 800 {sup o}C the Fe/Mo ratio changes from Fe/Mo = 2-1 < Fe/Mo < 2. The structural refinements of the XRPD data for the reduced perovskites were carried out by the Rietveld profile analysis method. The crystal structure of these phases is cubic, space group Fm3-bar m, with cationic disorder at the two different B sites that can be populated in variable proportions by the Fe atoms. The Moessbauer spectra allowed determining the evolution of the different species formed after the treatments at different temperatures and confirm that Fe ions in the samples reduced at 600, 700 and 800 {sup o}C are only in the high-spin Fe{sup 3+} electronic state.

  18. EPR and (57)Fe ENDOR investigation of 2Fe ferredoxins from Aquifex aeolicus.

    PubMed

    Cutsail, George E; Doan, Peter E; Hoffman, Brian M; Meyer, Jacques; Telser, Joshua

    2012-12-01

    We have employed EPR and a set of recently developed electron nuclear double resonance (ENDOR) spectroscopies to characterize a suite of [2Fe-2S] ferredoxin clusters from Aquifex aeolicus (Aae Fd1, Fd4, and Fd5). Antiferromagnetic coupling between the Fe(II), S = 2, and Fe(III), S = 5/2, sites of the [2Fe-2S](+) cluster in these proteins creates an S = 1/2 ground state. A complete discussion of the spin-Hamiltonian contributions to g includes new symmetry arguments along with references to related FeS model compounds and their symmetry and EPR properties. Complete (57)Fe hyperfine coupling (hfc) tensors for each iron, with respective orientations relative to g, have been determined by the use of "stochastic" continuous wave and/or "random hopped" pulsed ENDOR, with the relative utility of the two approaches being emphasized. The reported hyperfine tensors include absolute signs determined by a modified pulsed ENDOR saturation and recovery (PESTRE) technique, RD-PESTRE-a post-processing protocol of the "raw data" that comprises an ENDOR spectrum. The (57)Fe hyperfine tensor components found by ENDOR are nicely consistent with those previously found by Mössbauer spectroscopy, while accurate tensor orientations are unique to the ENDOR approach. These measurements demonstrate the capabilities of the newly developed methods. The high-precision hfc tensors serve as a benchmark for this class of FeS proteins, while the variation in the (57)Fe hfc tensors as a function of symmetry in these small FeS clusters provides a reference for higher-nuclearity FeS clusters, such as those found in nitrogenase. PMID:22872138

  19. MIMOS II on MER One Year of Mossbauer Spectroscopy on the Surface of Mars: From Jarosite at Meridiani Planum to Goethite at Gusev Crater

    NASA Technical Reports Server (NTRS)

    Klingelhoefer, G.; Rodionov, D. S.; Morris, R. V.; Schroeder, C.; deSouza, P. A.; Ming, D. W.; Yen, A. S.; Bernhardt, B.; Renz, F.; Fleischer, I.

    2005-01-01

    The miniaturized Mossbauer (MB) spectrometer MIMOS II [1] is part of the Athena payload of NASA s twin Mars Exploration Rovers "Spirit" (MER-A) and "Opportunity" (MER-B). It determines the Fe-bearing mineralogy of Martian soils and rocks at the Rovers respective landing sites, Gusev crater and Meridiani Planum. Both spectrometers performed successfully during first year of operation. Total integration time is about 49 days for MERA (79 samples) and 34 days for MER-B (85 samples). For curiosity it might be interesting to mention that the total odometry of the oscillating part of the MB drive exceeds 35 km for both rovers.

  20. Effect of 57Fe-goethite Amendment on Microbial Community Composition and Dynamics During the Transition from Iron to Sulfate Reduction

    NASA Astrophysics Data System (ADS)

    Moon, H.; McGuiness, L.; Kukkadapu, R. K.; Peacock, A.; Komlos, J.; Kerkhof, L.; Long, P. E.; Jaffe, P. R.

    2009-12-01

    Due to an increasing interest in microbial biostimulation for the purpose of U(VI) bioreduction, which proceeds via iron reduction, there is a growing need for a better understanding of the associated biogeochemical dynamics. This includes Fe(III) availability as well as the microbial community changes, including the activity of iron-reducers during the biostimulation period even after the onset of sulfate reduction. An up-flow column experiment was conducted with Old Rifle site sediments, where half of the columns had sediment that was augmented with 57Fe-goethite to track minute goethite changes after the onset of sulfate reduction, and to study the effects of increased Fe(III) levels on the overall biostimulation dynamics. The addition of the 57Fe-goethite did not delay the onset of sulfate reduction, but slightly suppressed the overall rate of sulfate reduction and hence acetate utilization. Mossbauer analyses confirmed that there was bioavailable iron present after the onset of sulfate reduction and that iron was still being reduced during sulfate reduction. Addition of the 57Fe-goethite to the sediment had a noticeable effect on the overall composition of the microbial population. 16S rRNA analyses of biostimulatd sediment using TRFLP showed that Geobacter sp. were still active and replicating after sulfate reduction had occurred for over 30 days. DNA fingerprints of the sediment-attached microbial communities were dominated by 5 TRFs, that comprised 25-57 % of the total profile. Augmentation of sediments with the 57Fe-goethite resulted in somewhat higher numbers of Geobacter-like species throughout the experiment, and during sulfate reduction slightly lower numbers of sulfate reducers. These columns also had a slightly improved U(VI) removal efficiency, which might be attributed to the higher Geobacter-like numbers.

  1. DFT study of the hyperfine parameters and magnetic properties of ZnO doped with 57Fe

    NASA Astrophysics Data System (ADS)

    Abreu, Y.; Cruz, C. M.; Piñera, I.; Leyva, A.; Cabal, A. E.; Van Espen, P.

    2014-05-01

    Magnetic state of 57Fe implanted and doped ZnO samples have been reported and studied by Mössbauer spectroscopy at different temperatures. The Mössbauer spectra mainly showed four doublets and three sextets, but some ambiguous identification remains regarding the probe site location and influence of defects in the hyperfine and magnetic parameters. In the present work some possible implantation configurations are suggested and evaluated using Monte Carlo simulation and electronic structure calculations within the density functional theory. Various implantation environments were proposed and studied considering the presence of defects. The obtained 57Fe hyperfine parameters show a good agreement with the reported experimental values for some of these configurations. The possibility of Fe pair formation, as well as a Zn site vacancy stabilization between the second and third neighborhood of the implantation site, is supported.

  2. Nuclear Bragg scattering studies in [sup 57]Fe with synchrotron radiation

    SciTech Connect

    Haustein, P.E.

    1993-01-01

    Studies of nuclear Bragg x-ray scattering of synchrotron radiation, using crystals of [alpha]-[sup 57]Fe[sub 2]O[sub 3], have been carried out at the NSLS at Brookhaven National Laboratory and at the Cornell University CHESS facility. These studies have demonstrated that nuclear resonance states can be used to produce filtered x-ray beams which have extremely narrow bandwidth, small angular divergence and unique polarization and temporal properties. this combination of characteristics, unobtainable with radioactive sources, makes synchrotron-based Moessbauer spectroscopy feasible and is an important complement to existing methods. A review of the experimental methodology is presented. As well as come suggestions for fuller exploitation of this new technique.

  3. Nuclear Bragg scattering studies in {sup 57}Fe with synchrotron radiation

    SciTech Connect

    Haustein, P.E.

    1993-03-01

    Studies of nuclear Bragg x-ray scattering of synchrotron radiation, using crystals of {alpha}-{sup 57}Fe{sub 2}O{sub 3}, have been carried out at the NSLS at Brookhaven National Laboratory and at the Cornell University CHESS facility. These studies have demonstrated that nuclear resonance states can be used to produce filtered x-ray beams which have extremely narrow bandwidth, small angular divergence and unique polarization and temporal properties. this combination of characteristics, unobtainable with radioactive sources, makes synchrotron-based Moessbauer spectroscopy feasible and is an important complement to existing methods. A review of the experimental methodology is presented. As well as come suggestions for fuller exploitation of this new technique.

  4. Vibration analysis utilizing Mossbauer effect

    NASA Technical Reports Server (NTRS)

    Roughton, N. A.

    1967-01-01

    Measuring instrument analyzes mechanical vibrations in transducers at amplitudes in the range of a few to 100 angstroms. This instrument utilizes the Mossbauer effect, the phenomenon of the recoil-free emission and resonant absorption of nuclear gamma rays in solids.

  5. The Nature of Line Broadening in Thermally Detected 57Fe Fe NMR

    NASA Astrophysics Data System (ADS)

    Hutchison, W. D.; Stewart, G. A.; Harker, S. J.; Chaplin, D. H.

    2004-12-01

    57Fe Fe with isotopic concentrations from 15 to 95% is studied using NMR thermally detected by nuclear orientation. Lines are found to be consistently homogeneous. The contrast with previous inhomogeneous 57Fe Fe lines from Mössbauer detected NMR is explained by differences in radio frequency field strength.

  6. Crystal structure, magnetic susceptibility and Mossbauer spectroscopy of the mixed-valence iron phosphate Na{sub 1/2}Cu{sub 4/3}Fe{sub 2}(PO{sub 4}){sub 3}

    SciTech Connect

    Hidouri, Mourad; Lajmi, Besma; Wattiaux, Alain; Fournes, Leopold; Darriet, Jacques; Amara, Mongi B. . E-mail: Mongi.Benamara@fsm.rnu.tn

    2006-06-15

    Single crystals of a new mixed-valent iron phosphate Na{sub 1/2}Cu{sub 4/3}Fe{sub 2}(PO{sub 4}){sub 3} have been synthesized by a flux method and structurally characterized from X-ray diffraction data. Crystal data: space group P1-bar ; a=6.2882(1)A; b=8.0459(1)A; c=9.3255(1)A; {alpha}=105.881(1){sup o}; {beta}=107.202(1){sup o}; {gamma}=101.467(1){sup o}; Z=2; R{sub 1}=0.03; wR{sub 2}=0.093. The three-dimensional structure was found to be closely related to that of the well known Howardevansite structural type. It results from infinite chains of CuO{sub 5} and FeO{sub 6} polyhedra, joined together by (Cu,-bar )O{sub 6} octahedra and PO{sub 4} tetrahedra by corner-sharing. The large cavities in framework are occupied by Na{sup +} ions. The magnetic susceptibility study revealed an antiferromagnetic behavior with Neel temperature of approximately 40K. The Mossbauer spectroscopy confirmed the presence of iron in both +2 and +3 oxidation states.

  7. Error Analysis of Remotely-Acquired Mossbauer Spectra

    NASA Technical Reports Server (NTRS)

    Schaefer, Martha W.; Dyar, M. Darby; Agresti, David G.; Schaefer, Bradley E.

    2005-01-01

    On the Mars Exploration Rovers, Mossbauer spectroscopy has recently been called upon to assist in the task of mineral identification, a job for which it is rarely used in terrestrial studies. For example, Mossbauer data were used to support the presence of olivine in Martian soil at Gusev and jarosite in the outcrop at Meridiani. The strength (and uniqueness) of these interpretations lies in the assumption that peak positions can be determined with high degrees of both accuracy and precision. We summarize here what we believe to be the major sources of error associated with peak positions in remotely-acquired spectra, and speculate on their magnitudes. Our discussion here is largely qualitative because necessary background information on MER calibration sources, geometries, etc., have not yet been released to the PDS; we anticipate that a more quantitative discussion can be presented by March 2005.

  8. Correlation of Coal Calorific Value and Sulphur Content with 57Fe Mössbauer Spectral Absorption

    NASA Astrophysics Data System (ADS)

    Wynter, C. I.; May, L.; Oliver, F. W.; Hall, J. A.; Hoffman, E. J.; Kumar, A.; Christopher, L.

    Coal is the most abundant, most economical and widely distributed fossil fuel in the world today. It is also the principal form of reductant in the iron and steel industry. This study was undertaken to not only add to the growing use of Mössbauer spectroscopy application in industry but also to increase the chemistry and physics knowledge base of coal. Coal is 40 to 80 percent carbon with small amounts of sulphur and iron as pyrite and ferrous sulphate. The environmental concern associated with mining and burning of coal has long been a subject of investigation with emphasis on the sulphur content. We examined five ranks of coal: anthracite, Eastern bituminous, bituminous, sub-bituminous, and lignite. Relationships were investigated between the Calorific Value (CV) of coal and inorganic sulphur content, 57Fe Mössbauer absorption, and ratio of pyrite (FeS2) to FeSO4. Twenty-eight samples of the five different types of coal had CVs ranging from 32,403 to 16,100 kJ/kg and sulphur concentrations ranging from 0.28 to 2.5 percent. CV appeared to be positively correlated with concentrations of sulphur and of iron-sulphur salts, although there appears to be little connection with the distribution of their oxidation states.

  9. Letter - X-ray diffraction and Mossbauer spectroscopy of Fe{sup 3+}-bearing Mg-silicate post-perovskite at 128-138 GPa.

    SciTech Connect

    Catalli, K.; Shim, S. H.; Prakapenka, V. B.; Zhao, J.; Sturhahn, W.

    2010-01-01

    The effect of ferric iron on the properties of Mg-silicate post-perovskite (PPv) were studied up to 138 GPa using synchrotron X-ray diffraction and Moessbauer spectroscopy. Our diffraction measurements revealed that the incorporation of Fe{sup 3+} has virtually no effect on the volume of PPv, in contrast to Fe{sup 2+}, which increases the volume. Therefore, incorporation of Fe{sup 3+} increases the density of PPv much more effectively than Fe{sup 2+}. Moessbauer spectroscopy suggests that Fe{sup 3+} enters PPv through charge-coupled substitution and is high spin in the bipolar prismatic site and low spin in the octahedral site (i.e., mixed spin state). Our results may have important implications for the gravitational stability of lower-mantle heterogeneities.

  10. Spectroscopic characterization of 57Fe-reconstituted rubrerythrin, a non-heme iron protein with structural analogies to ribonucleotide reductase.

    PubMed

    Ravi, N; Prickril, B C; Kurtz, D M; Huynh, B H

    1993-08-24

    Rubrerythrin, a contraction of rubredoxin and hemerythrin, is the trivial name given to a non-heme iron protein isolated from Desulfovibrio vulgaris (Hildenborough). This protein, whose physiological function is unknown, was first characterized by J. LeGall et al. [(1988) Biochemistry 28, 1636] as being a homodimer of subunit M(r) = 21,900 with four Fe per homodimer distributed as two rubredoxin-type FeS4 centers and one hemerythrin-type diiron cluster. Subsequent analysis of the amino acid sequence of the rubrerythrin gene [Kurtz, D. M., Jr., & Prickril, B.C. (1991) Biochem. Biophys. Res. Commun. 181, 137] revealed an internal homology which suggested that each subunit can accommodate one diiron cluster. Here, we report a procedure for reconstitution of the as-isolated D. vulgaris rubrerythrin with 57Fe. The reconstituted protein was characterized by optical, electron paramagnetic resonance, and Mössbauer spectroscopies. The results indicate successful incorporation of 57Fe into the two types of sites and strongly suggest that each subunit of rubrerythrin can indeed accommodate one diiron cluster as well as one rubredoxin-type center. Combined with amino acid sequence analysis, the spectroscopic characterization further suggests that the rubrerythrin subunit contains a diiron site whose structure is more closely related to that in ribonucleotide reductase than to that in hemerythrin.

  11. A Mossbauer investigation of iron-rich terrestrial hydrothermal vent systems: lessons for Mars exploration.

    PubMed

    Wade, M L; Agresti, D G; Wdowiak, T J; Armendarez, L P; Farmer, J D

    1999-04-25

    Hydrothermal spring systems may well have been present on early Mars and could have served as a habitat for primitive life. The integrated instrument suite of the Athena Rover has, as a component on the robotic arm, a Mossbauer spectrometer. In the context of future Mars exploration we present results of Mossbauer analysis of a suite of samples from an iron-rich thermal spring in the Chocolate Pots area of Yellowstone National Park (YNP) and from Obsidian Pool (YNP) and Manitou Springs, Colorado. We have found that Mossbauer spectroscopy can discriminate among the iron-bearing minerals in our samples. Those near the vent and on the surface are identified as ferrihydrite, an amorphous ferric mineraloid. Subsurface samples, collected from cores, which are likely to have undergone inorganic and/or biologically mediated alteration (diagenesis), exhibit spectral signatures that include nontronite (a smectite clay), hematite (alpha-Fe2O3), small-particle/nanophase goethite (alpha-FeOOH), and siderite (FeCO3). We find for iron minerals that Mossbauer spectroscopy is at least as efficient in identification as X-ray diffraction. This observation is important from an exploration standpoint. As a planetary surface instrument, Mossbauer spectroscopy can yield high-quality spectral data without sample preparation (backscatter mode). We have also used field emission scanning electron microscopy (FESEM), in conjunction with energy-dispersive X ray (EDX) fluorescence spectroscopy, to characterize the microbiological component of surface sinters and the relation between the microbiological and the mineralogical framework. Evidence is presented that the minerals found in these deposits can have multi-billion-year residence times and thus may have survived their possible production in a putative early Martian hot spring up to the present day. Examples include the nanophase property and the Mossbauer signature for siderite, which has been identified in a 2.09-billion-year old hematite

  12. A Mossbauer investigation of iron-rich terrestrial hydrothermal vent systems: lessons for Mars exploration

    NASA Technical Reports Server (NTRS)

    Wade, M. L.; Agresti, D. G.; Wdowiak, T. J.; Armendarez, L. P.; Farmer, J. D.

    1999-01-01

    Hydrothermal spring systems may well have been present on early Mars and could have served as a habitat for primitive life. The integrated instrument suite of the Athena Rover has, as a component on the robotic arm, a Mossbauer spectrometer. In the context of future Mars exploration we present results of Mossbauer analysis of a suite of samples from an iron-rich thermal spring in the Chocolate Pots area of Yellowstone National Park (YNP) and from Obsidian Pool (YNP) and Manitou Springs, Colorado. We have found that Mossbauer spectroscopy can discriminate among the iron-bearing minerals in our samples. Those near the vent and on the surface are identified as ferrihydrite, an amorphous ferric mineraloid. Subsurface samples, collected from cores, which are likely to have undergone inorganic and/or biologically mediated alteration (diagenesis), exhibit spectral signatures that include nontronite (a smectite clay), hematite (alpha-Fe2O3), small-particle/nanophase goethite (alpha-FeOOH), and siderite (FeCO3). We find for iron minerals that Mossbauer spectroscopy is at least as efficient in identification as X-ray diffraction. This observation is important from an exploration standpoint. As a planetary surface instrument, Mossbauer spectroscopy can yield high-quality spectral data without sample preparation (backscatter mode). We have also used field emission scanning electron microscopy (FESEM), in conjunction with energy-dispersive X ray (EDX) fluorescence spectroscopy, to characterize the microbiological component of surface sinters and the relation between the microbiological and the mineralogical framework. Evidence is presented that the minerals found in these deposits can have multi-billion-year residence times and thus may have survived their possible production in a putative early Martian hot spring up to the present day. Examples include the nanophase property and the Mossbauer signature for siderite, which has been identified in a 2.09-billion-year old hematite

  13. A Mossbauer investigation of iron-rich terrestrial hydrothermal vent systems: lessons for Mars exploration.

    PubMed

    Wade, M L; Agresti, D G; Wdowiak, T J; Armendarez, L P; Farmer, J D

    1999-04-25

    Hydrothermal spring systems may well have been present on early Mars and could have served as a habitat for primitive life. The integrated instrument suite of the Athena Rover has, as a component on the robotic arm, a Mossbauer spectrometer. In the context of future Mars exploration we present results of Mossbauer analysis of a suite of samples from an iron-rich thermal spring in the Chocolate Pots area of Yellowstone National Park (YNP) and from Obsidian Pool (YNP) and Manitou Springs, Colorado. We have found that Mossbauer spectroscopy can discriminate among the iron-bearing minerals in our samples. Those near the vent and on the surface are identified as ferrihydrite, an amorphous ferric mineraloid. Subsurface samples, collected from cores, which are likely to have undergone inorganic and/or biologically mediated alteration (diagenesis), exhibit spectral signatures that include nontronite (a smectite clay), hematite (alpha-Fe2O3), small-particle/nanophase goethite (alpha-FeOOH), and siderite (FeCO3). We find for iron minerals that Mossbauer spectroscopy is at least as efficient in identification as X-ray diffraction. This observation is important from an exploration standpoint. As a planetary surface instrument, Mossbauer spectroscopy can yield high-quality spectral data without sample preparation (backscatter mode). We have also used field emission scanning electron microscopy (FESEM), in conjunction with energy-dispersive X ray (EDX) fluorescence spectroscopy, to characterize the microbiological component of surface sinters and the relation between the microbiological and the mineralogical framework. Evidence is presented that the minerals found in these deposits can have multi-billion-year residence times and thus may have survived their possible production in a putative early Martian hot spring up to the present day. Examples include the nanophase property and the Mossbauer signature for siderite, which has been identified in a 2.09-billion-year old hematite

  14. The 57Fe hyperfine interactions in iron storage proteins in liver and spleen tissues from normal human and two patients with mantle cell lymphoma and acute myeloid leukemia: a Mössbauer effect study

    NASA Astrophysics Data System (ADS)

    Oshtrakh, M. I.; Alenkina, I. V.; Vinogradov, A. V.; Konstantinova, T. S.; Semionkin, V. A.

    2015-04-01

    Study of human spleen and liver tissues from healthy persons and two patients with mantle cell lymphoma and acute myeloid leukemia was carried out using Mössbauer spectroscopy with a high velocity resolution. Small variations in the 57Fe hyperfine parameters for normal and patient's tissues were detected and related to small variations in the 57Fe local microenvironment in ferrihydrite cores. The differences in the relative parts of more crystalline and more amorphous core regions were also supposed for iron storage proteins in normal and patients' spleen and liver tissues.

  15. Mechanically-induced disorder in CaFe2As2: A 57Fe Mössbauer study

    DOE PAGES

    Ma, Xiaoming; Ran, Sheng; Canfield, Paul C.; Bud'ko, Sergey L.

    2015-10-17

    57Fe Mössbauer spectroscopy was used to perform a microscopic study on the extremely pressure and strain sensitive compound, CaFe2As2, with different degrees of strain introduced by grinding and annealing. At the base temperature, in the antiferromagnetic/orthorhombic phase, compared to a sharp sextet Mössbauer spectrum of single crystal CaFe2As2, which is taken as an un-strained sample, an obviously broadened sextet and an extra doublet were observed for ground CaFe2As2 powders with different degrees of strain. The Mössbauer results suggest that the magnetic phase transition of CaFe2As2 can be inhomogeneously suppressed by the grinding induced strain to such an extent that themore » antiferromagnetic order in parts of the grains forming the powdered sample remain absent all the way down to 4.6 K. However, strain has almost no effect on the temperature dependent hyperfine magnetic field in the grains with magnetic order. Additional electronic and asymmetry information was obtained from the isomer shift and quadrupole splitting. Similar isomer shift values in the magnetic phase for samples with different degrees of strain, indicate that the stain does not bring any significant variation of the electronic density at 57Fe nucleus position. As a result, the absolute values of quadrupole shift in the magnetic phase decrease and approach zero with increasing degrees of strain, indicating that the strain reduces the average lattice asymmetry at Fe atom position.« less

  16. Microscopic 57 Fe electric-field-gradient and anisotropic mean-squared-displacement tensors: ferrous chloride tetrahydrate

    NASA Astrophysics Data System (ADS)

    Bull, James N.; Fitchett, Christopher M.; Tennant, W. Craighead

    2010-06-01

    This paper reports the determination of the electric-field-gradient and mean-squared-displacement tensors in 57Fe symmetry-related sites of bar {1} Laue class in monoclinic FeCl2.4H2O at room temperature by single-crystal Mössbauer spectroscopy. Contrary to all previous work, the mean-squared-displacement matrix (tensor), , is not constrained to be isotropic resulting in the determination of physically meaningful estimates of microscopic (local) electric-field gradient (efg) and tensors. As a consequence of anisotropy in the tensor the absorber recoilless fractions are also anisotropic. As expected of a low-symmetry site, Laue class bar{1} in this case, no two principal axes of the efg and tensors are coaxial, within the combined errors in the two. Further, no principal direction of the efg tensor seems related to bond directions in the unit cell. Within error, and in agreement with an earlier study of sodium nitroprusside, it appears that the tensor principal directions lie close to the crystallographic axes suggesting that they are determined by long wavelength (phonon) vibrations in the crystal rather than by approximate local symmetry about the 57Fe nucleus. Concurrent with the Mössbauer measurements, we determined as part of a new X-ray structural determination, precise atomic displacement parameters (ADPs) leading to an alternative determination of the matrix (tensor). The average of the eigenvalues of the Mössbauer-determined exceeds that of the average of the X-ray-determined eigenvalues by a factor of around 2.2. Assuming isotropic absorber recoilless fractions leads to substantially the same (macroscopic) efg tensor as had been determined in earlier work. Taking 1/3× the trace of the anisotropic absorber recoilless fractions leads to an isotropic value of 0.304 in good agreement with earlier single crystal studies where isotropy was assumed.

  17. Revised Mossbauer Calibration for Fe3+/FeT of XANES Basalt Standards: Implications for MORB

    NASA Astrophysics Data System (ADS)

    Hirschmann, M. M.; Zhang, H.; Cottrell, E.

    2015-12-01

    Among techniques for determining Fe3+/FeT of natural glasses, XANES affords high precision, spatial resolution, and sample throughput and consequently has become widely used. However, because XANES determinations depend on standardization against materials of known Fe3+/FeT, they are only as accurate as the methods used for calibration. In many cases, calibration is performed with Mossbauer spectroscopy. Accurate determination of Fe3+/FeT by Mossbauer spectroscopy is the subject of a long-standing controversy, in part owing to debate as to the influence of recoilless fraction on the area ratios of room temperature (RT) Mossbauer absorption doublets associated with paramagnetic Fe2+ and Fe3+ in silicate glasses. Recoilless fraction effects for glasses are comparatively subtle, and so characterization efforts have not always produced statistically resolvable effects, in part because glasses produce broadened line shapes that degrade analytical precision, but both theoretical considerations of bond strengths and abundant evidence from minerals demonstrate that RT Mossbauer analyses will overestimate Fe3+/FeTof Fe-bearing silicates. Cottrell & Kelley (2011) used the basalt XANES calibration of Cottrell et al. (2009) to show that the average Fe3+/FeT of MORB glasses is close to 0.16, but this calibration depends chiefly on RT Mossbauer spectra of a suite of standard glasses. New cryogenic (10 K) Mossbauer spectra of these same glasses suggests a correction factor, C, of 1.1, where [Fe3+/FeT(corrected)]=[Fe3+/FeT (RT)]/([Fe3+/FeT (RT)]+C(1-[Fe3+/FeT(RT)]). If this correction is applied to the XANES data, the median of MORB glasses is ~0.15. Because recoilless fractions are not exactly unity even at 10 K, this correction represents a minimum; however the 10 K data are in good agreement with Fe3+/FeT predicted for the Mossbauer standards by the wet-chemistry-based model of Kress and Carmichael (1991) based on the synthesis fO2. The precision of XANES for the determination

  18. Progressive oxidation of pyrite in five bituminous coal samples: An As XANES and 57Fe Mössbauer spectroscopic study

    USGS Publications Warehouse

    Kolker, Allan; Huggins, Frank E.

    2007-01-01

    Naturally occurring pyrite commonly contains minor substituted metals and metalloids (As, Se, Hg, Cu, Ni, etc.) that can be released to the environment as a result of its weathering. Arsenic, often the most abundant minor constituent in pyrite, is a sensitive monitor of progressive pyrite oxidation in coal. To test the effect of pyrite composition and environmental parameters on the rate and extent of pyrite oxidation in coal, splits of five bituminous coal samples having differing amounts of pyrite and extents of As substitution in the pyrite, were exposed to a range of simulated weathering conditions over a period of 17 months. Samples investigated include a Springfield coal from Indiana (whole coal pyritic S = 2.13 wt.%; As in pyrite = detection limit (d.l.) to 0.06 wt.%), two Pittsburgh coal samples from West Virginia (pyritic S = 1.32–1.58 wt.%; As in pyrite = d.l. to 0.34 wt.%), and two samples from the Warrior Basin, Alabama (pyritic S = 0.26–0.27 wt.%; As in pyrite = d.l. to 2.72 wt.%). Samples were collected from active mine faces, and expected differences in the concentration of As in pyrite were confirmed by electron microprobe analysis. Experimental weathering conditions in test chambers were maintained as follows: (1) dry Ar atmosphere; (2) dry O2 atmosphere; (3) room atmosphere (relative humidity ∼20–60%); and (4) room atmosphere with samples wetted periodically with double-distilled water. Sample splits were removed after one month, nine months, and 17 months to monitor the extent of As and Fe oxidation using As X-ray absorption near-edge structure (XANES) spectroscopy and 57Fe Mössbauer spectroscopy, respectively. Arsenic XANES spectroscopy shows progressive oxidation of pyritic As to arsenate, with wetted samples showing the most rapid oxidation. 57Fe Mössbauer spectroscopy also shows a much greater proportion of Fe3+ forms (jarosite, Fe3+ sulfate, FeOOH) for samples stored under wet conditions, but much less

  19. Thermal Neutron Capture Cross Sections of 54,56,57Fe

    NASA Astrophysics Data System (ADS)

    Belgya, T.; Szentmiklósi, L.; Gunsing, F.; Firestone, R. B.; Krticka, M.

    2013-03-01

    Radiative neutron capture has been measured on enriched 54,56,57Fe samples. Total thermal neutron capture cross sections were determined from the observed partial γ-ray cross sections. All of the total cross sections were found to be smaller than the recent evaluation, probably due to many weak unobserved contributions. The decay scheme of 55Fe from the capture reaction was substantially enlarged.

  20. Quadrupolar interaction of ^57Fe in compounds RENi_2B_2C: Experimental and Theoretical Studies

    NASA Astrophysics Data System (ADS)

    Zeng, Zhi; Guenzburger, Diana; Sanchez, D. R. S.; Bud'Ko, S. L.; Fontes, Magda B.; Baggia-Saitovitch, E. M.; Ellis, D. E.

    1996-03-01

    ^57Fe Mössbauer spectra were taken with the RE(Ni_0.99^57Fe_0.01)_2B_2C (RE=Tb, Dy, Ho, Er) samples in a variable temperature helium crysostat to study the interplay between superconductivity and magnetism in the RENi_2B_2C (RE=Dy, Ho, Er, Tm) compounds. The rare earth dependent quadrupole splitting (QS) from ^57Fe Mössbauer spectra decreases with the lanthanide contraction^footnotetext^The lanthanide contraction causes an increase in the ratio c/a along the RE series. from QS=0.27mm/s for TbNi_2B_2C to QS=0.14mm/s for ErNi_2B_2C. Self-consistent frist-principles electronic structure calculation[1] were performed for clusters with 71 atoms (Fe-12RE-14Ni-32B-12C), which were embedded in the charge denisity of several shells of neighbours in the crystal, representing the doped compounds RE(Ni_0.93Fe_0.07)_2B_2C (RE=Gd, Tb, Dy, Ho, and Er). The quadrupole splitting was obtained with the nuclear quadrupole moment Q=0.16b of ^57Fe[2]. The calculated results are in good agreement with experiment. The theoretical results give negative signs for all the QS values; which have not been determined by experiment, except for the compounds with Tb and Ho, for which they are negative. REFERENCES D.E. Ellis, Int. J. Quant. Chem. Suppl. 2, 35(1968); D.E. Ellis and G.S. Painter, Phys. Rev. B, 2, 2887(1970). Ohilipp Dufek, Peter Blaha and K. Schwarz, Phys. Rev. Lett. 75, 3545(1995).

  1. Impact of /sup 57/Fe on neutron penetration in thick sodium-iron shields

    SciTech Connect

    Fu, C.Y.; Ingersoll, D.T.

    1985-01-01

    The latest release of the VITAMIN-E multigroup cross-section library contains two different versions of neutron cross sections for natural iron, one based on ENDF/B-V MOD-1, and the other on MOD-3. The isotope /sup 57/Fe has four inelastic-scattering levels below 846 keV, the energy of the first excited state in /sup 56/Fe. The importance of the new cross sections was investigated by using both VITAMIN-E versions of the iron cross sections in S/sub 8/P/sub 3/ 174 group ANISN calculations for two Na-Fe shield configurations. In neutron penetration calculations through thick steel regions, /sup 57/Fe can be 10 times more important than is indicated by its isotopic abundance in natural iron. The 14.4-keV inelastic level of /sup 57/Fe is sufficiently important that it may be worthwhile to perform a measurement of this cross section to validate the ENDF/B-V MOD-3 value, which was obtained from nuclear model calculations. Shielding analyses were done with iron cross sections predating ENDF/B-V MOD-3 should be reviewed and may need to be revised.

  2. Electronic state of {sup 57}Fe used as Moessbauer probe in the perovskites LaMO{sub 3} (M=Ni and Cu)

    SciTech Connect

    Presniakov, Igor; Demazeau, Gerard Baranov, Alexei; Sobolev, Alexei; Gubaidulina, Tatyana; Rusakov, Viyacheslav

    2007-11-15

    For the first time a comparative study of rhombohedral LaNiO{sub 3} and LaCuO{sub 3} oxides, using {sup 57}Fe Moessbauer probe spectroscopy (1% atomic rate), has been carried out. In spite of the fact that both oxides are characterized by similar crystal structure and metallic properties, the behavior of {sup 57}Fe probe atoms in such lattices appears essentially different. In the case of LaNi{sub 0.99}Fe{sub 0.01}O{sub 3}, the observed isomer shift ({delta}) value corresponds to Fe{sup 3+} (3d{sup 5}) cations in high-spin state located in an oxygen octahedral surrounding. In contrast, for the LaCu{sub 0.99}Fe{sub 0.01}O{sub 3}, the obtained {delta} value is comparable to that characterizing the formally tetravalent high-spin Fe{sup 4+}(3d{sup 4}) cations in octahedral coordination within Fe(IV) perovskite-like ferrates. To explain such a difference, an approach based on the qualitative energy diagrams analysis and the calculations within the cluster configuration interaction method have been developed. It was shown that in the case of LaNi{sub 0.99}Fe{sub 0.01}O{sub 3}, electronic state of nickel is dominated by the d{sup 7} configuration corresponding to the formal ionic 'Ni{sup 3+}-O{sup 2-}' state. On the other hand, in the case of LaCu{sub 0.99}Fe{sub 0.01}O{sub 3} a large amount of charge is transferred via Cu-O bonds from the O:2p bands to the Cu:3d orbitals and the ground state is dominated by the d{sup 9}L configuration ('Cu{sup 2+}-O' state). The dominant d{sup 9}L ground state for the (CuO{sub 6}) sublattice induces in the environment of the {sup 57}Fe probe cations a charge transfer Fe{sup 3+}+O{sup -}(L){yields}Fe{sup 4+}+O{sup 2-}, which transforms 'Fe{sup 3+}' into 'Fe{sup 4+}' state. The analysis of the isomer shift value for the formally 'Fe{sup 4+}' ions in perovskite-like oxides clearly proved a drastic influence of the 4s iron orbitals population on the Fe-O bonds character. - Graphical abstract: Moessbauer spectroscopy study of LaCuO{sub 3

  3. Mechanically - induced disorder in CaFe2As2: a 57Fe Mössbauer study

    NASA Astrophysics Data System (ADS)

    Ma, Xiaoming; Ran, Sheng; Canfield, Paul C.; Bud'Ko, Sergey L.

    57 Fe Mössbauer spectroscopy was used to study an extremely pressure and strain sensitive compound, CaFe2As2, with different degrees of strain introduced by grinding and annealing. At the base temperature, in the antiferromagnetic/orthorhombic phase, compared to a sharp sextet Mössbauer spectrum of single crystal CaFe2As2, which is taken as an un-strained sample, an obviously broadened sextet and an extra doublet were observed for ground CaFe2As2 powders with different degrees of strain. The Mössbauer results suggest that the magnetic phase transition of CaFe2As2 can be inhomogeneously suppressed by the grinding induced strain to such an extent that the antiferromagnetic order in parts of the grains forming the powdered sample remain absent all the way down to 4.6 K. However, strain has almost no effect on the temperature dependent hyperfine magnetic field in the grains with magnetic order. The quadrupole shift in the magnetic phase approachs zero with increasing degrees of strain, indicating that the strain reduces the average lattice asymmetry at Fe atom position. Supported by US DOE under the Contract No. DE-AC02-07CH11358 and by the China Scholarship Council.

  4. Investigations of Iron Minerals Formed by Dissimilatory Alkaliphilic Bacterium with 57Fe Mössbauer Spectroscopy

    NASA Astrophysics Data System (ADS)

    Chistyakova, N. I.; Rusakov, V. S.; Shapkin, A. A.; Zhilina, T. N.; Zavarzina, D. G.; Lančok, A.; Kohout, J.

    2010-07-01

    Anaerobic alkaliphilic bacterium of Geoalkalibacter ferrihydriticus type (strain Z-0531), isolated from a bottom sediment sample from the weakly mineralized soda Lake Khadyn, have been analyzed. The strain uses the amorphous Fe(III)-hydroxide (AFH) as an electron acceptor and acetate CH3COO- as an electron donor. Mössbauer investigations of solid phase samples obtained during the process of the bacterium growth were carried out at room temperature, 77.8 K, 4.2 K without and with the presence of an external magnetic field (6 T) applied perpendicular to the γ-bebam.

  5. Investigations of Iron Minerals Formed by Dissimilatory Alkaliphilic Bacterium with {sup 57}Fe Moessbauer Spectroscopy

    SciTech Connect

    Chistyakova, N. I.; Rusakov, V. S.; Shapkin, A. A.; Zhilina, T. N.; Zavarzina, D. G.; Kohout, J.

    2010-07-13

    Anaerobic alkaliphilic bacterium of Geoalkalibacter ferrihydriticus type (strain Z-0531), isolated from a bottom sediment sample from the weakly mineralized soda Lake Khadyn, have been analyzed. The strain uses the amorphous Fe(III)-hydroxide (AFH) as an electron acceptor and acetate CH{sub 3}COO{sup -} as an electron donor. Moessbauer investigations of solid phase samples obtained during the process of the bacterium growth were carried out at room temperature, 77.8 K, 4.2 K without and with the presence of an external magnetic field (6 T) applied perpendicular to the {gamma}-bebam.

  6. The dynamics of 57Fe nuclei in Fe(II)-DNA and [Fe(II)(1-methyl-2-mercaptoimidazole)2]-DNA condensates.

    PubMed

    Silvestri, Arturo; Ruisi, Giuseppe; Girasolo, Maria Assunta

    2002-11-25

    Alcoholic solutions of FeCl(2) and Fe(II)(Hmmi)(2)Cl(2) (Hmmi=1-methyl-2-mercaptoimidazole) induce calf thymus DNA condensation from aqueous solutions buffered at pH 7.4. A 1:1 Fe(II)-(DNA monomer) stoichiometry is assumed. The (57)Fe Mössbauer hyperfine parameters suggest an octahedral coordination environment, severely distorted, in both Fe(II)-(DNA monomer) and [Fe(II)(Hmmi)(2)]-(DNA monomer) condensates. The dynamic properties of iron nuclei in freeze-dried samples were investigated by means of variable temperature (57)Fe Mössbauer spectroscopy. Mean square displacements, (T), were calculated, such as the effective vibrating mass and the Mössbauer lattice temperature of the solids. increases linearly with the temperature in the whole temperature range explored; the absolute values are typical for lattice or solid-state vibrations. Very similar values for the effective vibrating masses were extracted, suggesting comparable covalency of the bonding interaction between the metal atom and its ligands, while the Mössbauer lattice temperatures show a softening of the lattice for [Fe(II)(Hmmi)(2)]-(DNA monomer) with respect to Fe(II)-(DNA monomer) condensate.

  7. Verwey transition of nano-sized magnetite crystals investigated by 57Fe NMR

    NASA Astrophysics Data System (ADS)

    Lim, Sumin; Choi, Baek Soon; Lee, Soon Chil; Hong, Jaeyoung; Lee, Jisoo; Hyeon, Taeghwan; Kim, Taehun; Jeong, Jaehong; Park, Je-Geun

    It is well known that magnetite crystals undergo a metal-insulator transition at the Verwey transition temperature, TV = 123 K. In this work, we studied the Verwey transition of nano-sized crystals with 57Fe NMR. In the metallic state above Tv, the NMR spectrum shows a single sharp peak, which broadens below TV indicating the Verwey transition. We measured the spectra of the nano-crystals with radii of 16 nm, 25 nm, and 40 nm and compared with that of a bulk. The transition temperature obtained from the NMR spectra depends on both the crystal size and crystallinity. When the crystal size decreases from bulk to 16 nm, the transition temperature drops from 123 K to 100 K. The transition temperature of the samples kept dry air decrease due to aging.

  8. The Contribution of 57Fe Mössbauer Spectrometry to Investigate Magnetic Nanomaterials

    NASA Astrophysics Data System (ADS)

    Greneche, Jean-Marc

    Fe containing nanomaterials and nanoparticles are quite important because their unusual physical properties make them excellent candidates for different applications. 57Fe Mössbauer spectrometry appears as an excellent tool to provide structural and magnetic data through the hyperfine parameters. After a short definition of nanostructures and their main characteristics originated from confinement effects, we established the relevant features to understand nanoscale magnetism. Some examples have been thus selected to illustrate first how Mössbauer spectrometry contributes to understand the chemical, structural and magnetic nature of nanostructures and the role of surface and grain boundaries. Then, they also demonstrate also how the fitting procedure remains a delicate task to model the hyperfine structure and does require on the one hand large experimental data basis obtained from different techniques including structural, morphological and magnetic parameters and on the other hand materials with high knowledge and control of synthesis conditions.

  9. Electronic state of 57Fe used as Mössbauer probe in the perovskites LaMO 3 ( M=Ni and Cu)

    NASA Astrophysics Data System (ADS)

    Presniakov, Igor; Demazeau, Gérard; Baranov, Alexei; Sobolev, Alexei; Gubaidulina, Tatyana; Rusakov, Viyacheslav

    2007-11-01

    For the first time a comparative study of rhombohedral LaNiO 3 and LaCuO 3 oxides, using 57Fe Mössbauer probe spectroscopy (1% atomic rate), has been carried out. In spite of the fact that both oxides are characterized by similar crystal structure and metallic properties, the behavior of 57Fe probe atoms in such lattices appears essentially different. In the case of LaNi 0.99Fe 0.01O 3, the observed isomer shift ( δ) value corresponds to Fe 3+ (3 d5) cations in high-spin state located in an oxygen octahedral surrounding. In contrast, for the LaCu 0.99Fe 0.01O 3, the obtained δ value is comparable to that characterizing the formally tetravalent high-spin Fe 4+(3 d4) cations in octahedral coordination within Fe(IV) perovskite-like ferrates. To explain such a difference, an approach based on the qualitative energy diagrams analysis and the calculations within the cluster configuration interaction method have been developed. It was shown that in the case of LaNi 0.99Fe 0.01O 3, electronic state of nickel is dominated by the d7 configuration corresponding to the formal ionic "Ni 3+-O 2-" state. On the other hand, in the case of LaCu 0.99Fe 0.01O 3 a large amount of charge is transferred via Cu-O bonds from the O:2 p bands to the Cu:3 d orbitals and the ground state is dominated by the d9L configuration ("Cu 2+-O" state). The dominant d 9L ground state for the (CuO 6) sublattice induces in the environment of the 57Fe probe cations a charge transfer Fe 3++O -( L)→Fe 4++O 2-, which transforms "Fe 3+" into "Fe 4+" state. The analysis of the isomer shift value for the formally "Fe 4+" ions in perovskite-like oxides clearly proved a drastic influence of the 4 s iron orbitals population on the Fe-O bonds character.

  10. Study of 57 Fe Mössbauer effect in RFe2Zn20 ( R = Lu, Yb, Gd)

    DOE PAGES

    Bud’ko, Sergey L.; Kong, Tai; Ma, Xiaoming; Canfield, Paul C.

    2015-08-04

    In this document we report measurements of 57Fe Mössbauer spectra for RFe2Zn20 (R = Lu, Yb, Gd) from ~ 4.5 K to room temperature. The obtained isomer shift values are very similar for all three compounds, their temperature dependence was analyzed within the Debye model and resulted in an estimate of the Debye temperatures of 450-500 K. The values of quadrupole splitting at room temperature change with the cubic lattice constant a in a linear fashion. For GdFe2Zn20, ferromagnetic order is seen as an appearance of a sextet in the spectra. The 57Fe site hyperfine field for T → 0more » was evaluated to be ~ 2.4 T.« less

  11. Mössbauer spectroscopic study of 57Fe metabolic transformations in the rhizobacterium Azospirillum brasilense Sp245

    NASA Astrophysics Data System (ADS)

    Kamnev, Alexander A.; Tugarova, Anna V.; Kovács, Krisztina; Biró, Borbála; Homonnay, Zoltán; Kuzmann, Ernő

    2014-04-01

    Preliminary 57Fe transmission Mössbauer spectroscopic data were obtained for the first time for live cells of the plant-growth-promoting rhizobacterium Azospirillum brasilense (wild-type strain Sp245) grown aerobically with 57FeIII-nitrilotriacetate (NTA) complex as a sole source of iron. The results obtained have shown that live cells actively reduce part of the assimilated iron(III) to iron(II), the latter amounting up to 33 % of total cellular iron after 18 h of growth, and 48 % after additional 3 days of storage of the dense wet cell suspension in nutrient-free saline solution in air at room temperature (measured at 80 K). The cellular iron(II) was found to be represented by two quadrupole doublets of different high-spin forms, while the parameters of the cellular iron(III) were close to those typical for bacterioferritins.

  12. Nuclear Bragg x-ray scattering of synchrotron radiation by sup 57 Fe sub 2 O sub 3

    SciTech Connect

    Haustein, P.E.; Berman, L.E.; Faigel, G.; Grover, J.R.; Hastings, J.B.; Siddons, D.P.

    1989-01-01

    A program of studies of nuclear Bragg x-ray scattering with {sup 57}Fe{sub 2}O{sub 3} at the National Synchrotron Light Source at Brookhaven National Laboratory and at the Cornell University CHESS facility is reviewed. Two main areas, instrumentation development and studies of dynamical diffraction processes, are described. The latter area has included: measurements of the temporal behaviour of nuclear collective decay mode and direct observation of polarization mixing. 7 refs., 5 figs.

  13. Time differential 57Fe Mössbauer spectrometer with unique 4π YAP:Ce 122.06 keV gamma-photon detector

    NASA Astrophysics Data System (ADS)

    Novak, Petr; Pechousek, Jiri; Prochazka, Vit; Navarik, Jakub; Kouril, Lukas; Kohout, Pavel; Vrba, Vlastimil; Machala, Libor

    2016-10-01

    This paper presents a conceptually new design of the 57Fe Time Differential Mössbauer Spectrometer (TDMS) with the gamma-photon detector optimized for registration of a radiation emitted in a maximum solid angle. A high detection efficiency of 80% in 4π region was achieved for 122.06 keV photons emitted from 57Co source. Detector parameters have been optimized for the use in the Time Differential Mössbauer Spectroscopy where the high time resolution in range of 176-200 ns is highly required. Technical concept of the TDMS is based on the virtual instrumentation technique and uses fast digital oscilloscope. Performance and detector utilization have been clarified by decreasing the Mössbauer spectral line-width of K2MgFe(CN)6 reference sample from 0.33 mm/s (integral mode) to 0.23 mm/s (time differential mode). This report also describes characterization and utilization of the detector together with additional electronic blocks and two-channel fast data-acquisition system construction.

  14. Moessbauer investigation of {sup 57}Fe doped La{sub 4}Ni{sub 3}O{sub 10{+-}}{sub y} phases

    SciTech Connect

    Carvalho, M.D.; Bassat, J.M.

    2009-01-15

    {sup 57}Fe doped La{sub 4}Ni{sub 2.97}Fe{sub 0.03}O{sub 9.95} was synthesized by a citrate method and, afterwards, successfully oxidized and reduced by electrochemical methods. The compounds obtained were investigated by X-ray diffraction, electrical measurements and Moessbauer spectroscopy. The study allowed to follow the variation of the two nickel sites environment with the oxygen stoichiometry and a deeper understanding of the electrical behavior versus oxygen non-stoichiometry was achieved. The Moessbauer study revealed that after both oxidation and reduction treatments, the major modifications were observed on the octahedra adjacent to the La{sub 2}O{sub 2} layers, while the middle octahedra of the triple perovskite block remained almost unchanged. The oxygen intercalation (oxidized treatment) takes place essentially in the La{sub 2}O{sub 2} layers and the oxygen desintercalation (reduction treatment) occurs in the octahedral sites adjacent to those layers. - Grapical abstract: Moessbauer spectra of oxidized and reduced Ruddlesden-Popper compounds La{sub 4}Ni{sub 2.97}Fe{sub 0.03}O{sub 10{+-}}{sub y}.

  15. Feasibility of Mossbauer survey meter for hydrocarbon and mineral reserves

    NASA Technical Reports Server (NTRS)

    Singh, J. J.

    1975-01-01

    The feasibility of developing a Mossbauer survey meter for geophysical prospecting was investigated. Various critical requirements that will have to be met by the source and absorber crystals in such an instrument were identified. It was concluded that a survey meter based on (Rh-103 resonance (40 kev) yields Rh-103) isomeric transition is feasible and should be developed.

  16. Large low-energy M1 strength for ^{56,57}Fe within the nuclear shell model.

    PubMed

    Brown, B Alex; Larsen, A C

    2014-12-19

    A strong enhancement at low γ-ray energies has recently been discovered in the γ-ray strength function of ^{56,57}Fe. In this work, we have for the first time obtained theoretical γ decay spectra for states up to ≈8  MeV in excitation for ^{56,57}Fe. We find large B(M1) values for low γ-ray energies that provide an explanation for the experimental observations. The role of mixed E2 transitions for the low-energy enhancement is addressed theoretically for the first time, and it is found that they contribute a rather small fraction. Our calculations clearly show that the high-ℓ(=f) diagonal terms are most important for the strong low-energy M1 transitions. As such types of 0ℏω transitions are expected for all nuclei, our results indicate that a low-energy M1 enhancement should be present throughout the nuclear chart. This could have far-reaching consequences for our understanding of the M1 strength function at high excitation energies, with profound implications for astrophysical reaction rates.

  17. a Mossbauer Effect Study of Iron(iii) Dithiocarbamates.

    NASA Astrophysics Data System (ADS)

    Fiddy, Judith Mary

    Available from UMI in association with The British Library. Ever since the pioneering work of Cambi iron(III) trisdithiocarbamates, which have the formula Fe(R _2NCS_2]_3 where R is an alkyl or an aryl group, have formed the basis for understanding spin-state equilibria in iron(III) complexes. Magnetic and infrared studies clearly indicate equilibrium between the high-spin and low-spin states. The Mossbauer spectra, however, show only a single component, indicating rapid relaxation between the two spin states on the Mossbauer timescale. It has been assumed that the spectral parameters are therefore a function of the relative spin-state populations. In this thesis, the results of Mossbauer experiments carried out on a series of iron(III) trisdithiocarbamates with various organic substituents, known to give a range of high-spin and low-spin state populations at room temperature, are presented. An iron(III) bisdithiocarbamate complex, Fe^{57} ((C_5 H_{10})_2NCS _2]_2NCS, was also investigated. The samples were studied at temperatures from 1.3K to 295K, and at pressures between atmospheric pressure and 80kbar at room temperature only. It was found that, in fact, the spin-equilibrium plays only a minor role in determining the Mossbauer spectra of the trisdithiocarbamate compounds. The effects of spin -state relaxation on the temperature dependence of the spectra are, in general, masked by those of slow paramagnetic relaxation which, in contrast to the effects of the spin-equilibrium, are marked and different for each compound. By fitting the spectra to models of paramagnetic relaxation the temperature dependence of the relaxation rates and possible directions of the magnetic hyperfine field relative to the major axis of the electric field gradient were found. The pressure dependence of the spectra was found to be rather similar for all the compounds, the main differences being in the widths and in the asymmetry of the areas of the spectral lines. Both these effects can

  18. Theoretical investigation of hyperfine field parameters through mossbauer gamma ray

    SciTech Connect

    Ali, Sikander; Hashim, Mohd

    2012-06-05

    When a Mossbauer gamma-ray emitting or absorbing nucleus is placed in a crystalline environment, the quadrupole moment of the nucleus interacts with the electric field gradient set up by the ligands around it. In the transition |7/2>{yields}|5/2> twelve lines are obtained. Applying the multipole radiation field theory and density matrix formalism, the determinant of coherency matrix, intensity and degree of polarization have been calculated for each line.

  19. X-ray spectral and Mossbauer investigations of structure defects and the degree of inversion of manganese-zinc ferrites

    NASA Astrophysics Data System (ADS)

    Kirichok, P. P.; Pashchenko, V. P.; Kompaniets, V. I.; Brovkina, G. T.

    1982-03-01

    X-ray and Mossbauer spectroscopy is used to investigate the effect of vacuum cooling on the valence of cations of manganese and iron, nonstoichiometry and the degree of inversion of manganese-zinc ferrites. The dependence of the valency of the cations of manganese and iron, the degree of inversion, and the degree of nonstoichiometry on the partial pressure of oxygen produced in the cooling stage is established. An interrelationship is found between the defects and the degree of inversion of manganese-zinc ferrites.

  20. 57Fe NGR studies on three-stage hydroliquefaction of coals

    NASA Astrophysics Data System (ADS)

    Jamond, M.; Bacaud, R.; Bussiere, P.; Charcosset, H.; Nickel-Pepin-Donat, B.

    1990-06-01

    Iron Mössbauer spectroscopy has been performed on liquefaction residues of two different French coals. In a three-stage liquefaction of high volatile bituminous coal (Freyming), without an added catalyst, the coal pyrite is not entirely converted into pyrrhotites, whereas in the presence of an added catalyst, coal pyrite is totally transformed into more dispersed pyrrhotites than those from the sample without an added catalyst; furthermore, the whole added catalyst precursor is reduced into pyrrhotites. In the case of liquefaction of subbituminous coal (Gardanne), full conversion of coal pyrite into pyrrhotites (even without an added catalyst) occurs. In addition, in the presence of the added catalyst, besides pyrrhotites, FeS is evidenced. When molybdenum-iron oxide is added as a catalyst precursor, no mixed Fe-Mo phase is detected.

  1. Redox condition of the late Neoproterozoic pelagic deep ocean: 57Fe Mössbauer analyses of pelagic mudstones in the Ediacaran accretionary complex, Wales, UK

    NASA Astrophysics Data System (ADS)

    Sato, Tomohiko; Sawaki, Yusuke; Asanuma, Hisashi; Fujisaki, Wataru; Okada, Yoshihiro; Maruyama, Shigenori; Isozaki, Yukio; Shozugawa, Katsumi; Matsuo, Motoyuki; Windley, Brian F.

    2015-11-01

    We report geological and geochemical analysis of Neoproterozoic pelagic deep-sea mudstones in an accretionary complex in Lleyn, Wales, UK. Ocean plate stratigraphy at Porth Felen, NW Lleyn, consists of mid-ocean ridge basalt (> 4 m), bedded dolostone (2 m), black mudstone (5 m), hemipelagic siliceous mudstone (1 m,) and turbiditic sandstone (15 m), in ascending order. The absence of terrigenous clastics confirms that the black and siliceous mudstone was deposited in a pelagic deep-sea. Based on the youngest U-Pb age (564 Ma) of detrital zircons separated from overlying sandstone, the deep-sea black mudstone was deposited in the late Ediacaran. The 5 m-thick black mudstone contains the following distinctive lithologies: (i) black mudstone with thin pyritic layers (0.8 m), (ii) alternation of black mudstone and gray/dark gray siliceous mudstone (2.4 m), (iii) thinly-laminated dark gray shale (1 m), and (iv) black mudstone with thin pyritic layers (1 m). 57Fe Mössbauer spectroscopy confirms that these black mudstones contain pyrite without hematite. In contrast, red bedded claystones (no younger than 542 Ma) in the neighboring Braich section contain hematite as their main iron mineral. These deep-sea mudstones in the Lleyn Peninsula record a change of redox condition on the pelagic deep-sea floor during the Ediacaran. The black mudstone at Porth Felen shows that deep-sea anoxia existed in the late Ediacaran. The eventual change from a reducing to an oxidizing deep-sea environment likely occurred in the late Ediacaran (ca. 564-542 Ma).

  2. Constraints on the oxidation state of the mantle: An electrochemical and sup 57 Fe Moessbauer study of mantle-derived ilmenites

    SciTech Connect

    Virgo, D.; Luth, R.W. ); Moats, M.A.; Ulmer, G.C. )

    1988-07-01

    Ilmenite samples from four kimberlite localities were studied using electrochemical, Moessbauer spectroscopic, and microprobe analytical techniques in order to infer the oxidation state of their source regions in the mantle. The values of Fe{sup 3+}/{Sigma}Fe calculated from analyses, using three different electron microanalytical instruments assuming ilmenite stoichiometry, are consistently higher than those derived from the Moessbauer data, by as much as 100%. Furthermore, the range in Fe{sup 3+}/{Sigma}Fe calculated using the analyses from different instruments and/or different correction schemes is nearly as large. Thus Fe{sup 3+}/{Sigma}Fe calculated from microprobe analyses should be taken with caution, even if the precision appears high. {sup 57}Fe Moessbauer spectroscopy on the electrochemical experiment run products demonstrates that Fe{sup 3+}/{Sigma}Fe is significantly lower than it is for the natural C-bearing ilmenites. In contrast, the ilmenite that lacked C did not change Fe{sup 3+}/{Sigma}Fe during the electrochemical experiment. Examination of the reduced samples with SEM established that the natural, single-phase ilmenites exsolved during the electrochemical experiment to form ilmenite{sub ss} + spinel{sub ss}. The initial, reduced trends in the electrochemical experiments for the C-bearing ilmenites are attributed to disequilibrium interactions between the decomposing sample and the evolved gas in the electrochemical cell and do not represent the quenched mantle memory nor the intrinsic f{sub O{sub 2}} of the sample prior to reduction. Furthermore, the oxidized f{sub O{sub 2}} trend is interpreted, for the carbon-bearing samples, are representing the f{sub O{sub 2}} of the ilmenite{sub ss} + spinel{sub ss} assemblage and not the intrinsic f{sub o{sub 2}} of the mantle-derived ilemnite{sub ss}.

  3. Mössbauer study of exogenous iron redistribution between the brain and the liver after administration of 57Fe3O4 ferrofluid in the ventricle of the rat brain

    NASA Astrophysics Data System (ADS)

    Polikarpov, Dmitry; Gabbasov, Raul; Cherepanov, Valery; Loginova, Natalia; Loseva, Elena; Nikitin, Maxim; Yurenia, Anton; Panchenko, Vladislav

    2015-04-01

    Iron clearance pathways after the injection of 57Fe3O4-based ferrofluid into the brain ventricles were studied histologically and by Mössbauer spectroscopy. It was found that the dextran coated initial nanobeads of the ferrofluid disintegrated in the brain into separate superparamagnetic nanoparticles within a week after the injection. The exogenous iron completely exited all ventricular cavities of the brain within a week after the injection but remained in the white matter for months. Kupffer cells with the exogenous iron appeared in the rat liver 2 hours after the injection. Their concentration reached its maximum on the third day and dropped to zero within a week. The exogenous iron appeared in the spleen a week after the injection and remained in the spleen for months.

  4. 57 Fe Mössbauer and X-ray characterisation of sandstones

    NASA Astrophysics Data System (ADS)

    Mulaba-Bafubiandi, A. F.; Waanders, F. B.

    2013-04-01

    Sandstones from the Free State province in South Africa have been mined and processed mainly by small scale and artisanal miners in the rural areas. In the present investigation basic fire proof and water absorption tests, X-ray and γ-ray based characterisation techniques were used to study the sandstones. The collected samples were grouped according to their apparent colour in day light conditions and the elemental analysis showed the presence of a high amount of oxygen (>52%) and silicon (>38%) with Mn, Al, Fe and Ca as major elements in proportions related to the colour distribution of the various sandstones. The uniaxial compressive stress was found to be the highest (56 MPa) for the greyish sandstone and the lowest (8 MPa) for the white sandstone sample, also associated with the lowest (Al+Fe)/Si value of 0.082. The humidity test showed that the 6 % water absorption was lower than the recommended ASTM value of 8 %. The sandstone samples were also subjected to various high temperatures to simulate possible fire conditions and it was found that the non alteration of the mineral species might be one of the reasons why the sandstones are regarded as the most refractory amongst the building materials typically used. Mössbauer spectroscopy revealed that iron is present in all the sandstones, mainly as Fe3 + with the black sandstone showing an additional presence of 3 % Fe2 + indicating that a higher iron content coupled to higher silicon content, contributes to an increase in the uniaxial compressive strength.

  5. Micro Raman, Mossbauer and magnetic studies of manganese substituted zinc ferrite nanoparticles: Role of Mn

    NASA Astrophysics Data System (ADS)

    Thota, Suneetha; Kashyap, Subhash C.; Sharma, Shiv K.; Reddy, V. R.

    2016-04-01

    A series of Mn-Zn Ferrite nanoparticles (<15 nm) with formula MnxZn1-xFe2O4 (where x=0.00, 0.35, 0.50, 0.65) were successfully prepared by citrate-gel method at low temperature (400 °C). X-ray diffraction analysis confirmed the formation of single cubic spinel phase in these nanoparticles. The FESEM and TEM micrographs revealed the nanoparticles to be nearly spherical in shape and of fairly uniform size. The fractions of Mn2+, Zn2+ and Fe3+ cations occupying tetrahedral sites along with Fe occupying octahedral sites within the unit cell of different ferrite samples are estimated by room temperature micro-Raman spectroscopy. Low temperature Mossbauer measurement on Mn0.5Zn0.5Fe2O4 has reconfirmed the mixed spinel phase of these nanoparticles. Room temperature magnetization studies (PPMS) of Mn substituted samples showed superparamagnetic behavior. Manganese substitution for Zn in the ferrite caused the magnetization to increase from 04 to18 emu/g and Lande's g factor (estimated from ferromagnetic resonance measurement) from 2.02 to 2.12 when x was increased up to 0.50. The FMR has shown that higher Mn cationic substitution leads to increase in dipolar interaction and decrease in super exchange interaction. Thermomagnetic (M-T) and magnetization (M-H) measurements have shown that the increase in Mn concentration (up to x=0.50) enhances the spin ordering temperature up to 150 K (blocking temperature). Magnetocrystalline anisotropy in the nanoparticles was established by Mossbauer, ferromagnetic resonance and thermomagnetic measurements. The optimized substitution of manganese for zinc improves the magnetic properties and makes these nanoparticles a potential candidate for their applications in microwave region and biomedical field.

  6. Zero-Field Spin-Echo Nuclear Magnetic Resonance and Moessbauer Spectroscopy Studies on the Enhancement of the Magnetic Properties of the SAMARIUM(2)

    NASA Astrophysics Data System (ADS)

    Potenziani, Ernest, II

    The Sm(,2)(Co,Fe,Cu,Zr,Cr)(,14.8) - type permanent magnets have been investigated by ('57)Fe Mossbauer spectroscopy and ('149)Sm and ('59)Co zero-field spin-echo NMR techniques. A complete set of samples, varying in complexity and heat treatment, were prepared and examined. The following findings were obtained: (1) the addition of copper serves to precipitate out iron and cobalt with the replacement of the transition metals by the copper, (2) the addition of iron causes some substitutional displacement of the cobalt with the remaining iron forming an Fe-Co phase, (3) a further removal of the free iron is accomplished by the addition of zirconium and a subsequent step anneal, (4) the second and more important role of the zirconium is known to be an increase in the coercive force. The results herein indicate that the zirconium preferentially substitutes into the 1:5 phase, replacing the samarium, and degrading the magnetic properties of the cellular boundary 1:5 phase--causing it to exert a more effective pinning of the domain walls, in agreement with experimental findings, (5) the addition of chromium with zirconium causes a preferential substitution of iron into the 4f crystal site of the 2:17 phase, thereby increasing the anisotropy and facilitating the removal of the Fe-Co phase.

  7. Evaluation of Fe uptake and translocation in transgenic and non-transgenic soybean plants using enriched stable (57)Fe as a tracer.

    PubMed

    Oliveira, Silvana R; Menegário, Amauri A; Arruda, Marco A Z

    2014-10-01

    A tracer experiment is carried out with transgenic T (variety M 7211 RR) and non-transgenic NT (variety MSOY 8200) soybean plants to evaluate if genetic modification can influence the uptake and translocation of Fe. A chelate of EDTA with enriched stable (57)Fe is applied to the plants cultivated in vermiculite plus substrate and the (57)Fe acts as a tracer. The exposure of plants to enriched (57)Fe causes the dilution of the natural previously existing Fe in the plant compartments and then the changed Fe isotopic ratio ((57)Fe/(56)Fe) is measured using a quadrupole-based inductively coupled plasma mass spectrometer equipped with a dynamic reaction cell (DRC). Mathematical calculations based on the isotope dilution methodology allow distinguishing the natural abundance Fe from the enriched Fe (incorporated during the experiment). The NT soybean plants acquire higher amounts of Fe from natural abundance (originally present in the soil) and from enriched Fe (coming from the (57)Fe-EDTA during the experiment) than T soybean ones, demonstrating that the NT soybean plants probably absorb higher amounts of Fe, independently of the source. The percentage of newly incorporated Fe (coming from the treatment) was approximately 2.0 and 1.1% for NT and T soybean plants, respectively. A higher fraction (90.1%) of enriched Fe is translocated to upper parts, and a slightly lower fraction (3.8%) is accumulated in the stems by NT plants than by T ones (85.1%; 5.1%). Moreover, in both plants, the Fe-EDTA facilitates the transport and translocation of Fe to the leaves. The genetic modification is probably responsible for differences observed between T and NT soybean plants.

  8. A computer program for analyzing unresolved Mossbauer hyperfine spectra

    NASA Technical Reports Server (NTRS)

    Schiess, J. R.; Singh, J. J.

    1978-01-01

    The program for analyzing unresolved Mossbauer hyperfine spectra was written in FORTRAN 4 language for the Control Data CYBER 170 series digital computer system with network operating system 1.1. With the present dimensions, the program requires approximately 36,000 octal locations of core storage. A typical case involving two innermost coordination shells in which the amplitudes and the peak positions of all three components were estimated in 25 iterations requires 30 seconds on CYBER 173. The program was applied to determine the effects of various near neighbor impurity shells on hyperfine fields in dilute FeAl alloys.

  9. Local structure and hyperfine interactions of 57Fe and 119Sn atoms in brownmillerite-like ferrite Sr 2Fe 1.98Sn 0.02O 5+ x

    NASA Astrophysics Data System (ADS)

    Presniakov, Igor; Sobolev, Alexey; Pokholok, Konstantin; Demazeau, Gérard M.; Baranov, Alexey

    2004-10-01

    Mössbauer spectroscopy has been applied for studying local environment of 57Fe and 119Sn probe atoms within tin-doped Sr2Fe1.98Sn0.02O5+x (x⩽0.02) ferrite with the brownmillerite-type structure. 57Fe Mössbauer spectra indicate no appreciable local distortions induced by the tin dopant atoms. The 119Sn spectra recorded below the magnetic ordering temperature (TN) can be described as a superposition of two Zeeman sextets, which indicate that Sn4+ dopant ions are located in two non-equivalent crystallographic and magnetic sites. The observed hyperfine parameters were discussed supposing Sn4+ cations to replace iron cations in the octahedral (SnO) and tetrahedral (SnT) sublattices. It has been supposed that Sn4+ cations being stabilized in the tetrahedral sublattice complete their nearest anion surrounding up to the octahedral oxygen coordination "SnT4+". Annealing of the Sr2Fe1.98Sn0.02O5+x in helium flux conditions at 950°C leads to formation of divalent Sn2+ cations with a simultaneous decrease of the contribution for the SnT4+ sub-spectrum. The parameters of combined electric and magnetic hyperfine interactions of the 119Sn2+ sub-spectrum underline that impurity atoms are stabilized in the sp3d-hybrid state in the oxygen distorted tetragonal pyramid. The analysis of the 119Sn spectra indicates a chemical reversibility of the processes SnT2+⇌SnT4+ within the tetrahedral sublattice of the brownmillerite-type ferrite.

  10. Mössbauer investigations of hyperfine interactions features of {sup 57}Fe nuclei in BiFeO{sub 3} ferrite

    SciTech Connect

    Sobolev, Alexey Presniakov, Igor Rusakov, Vyacheslav Matsnev, Mikhail; Gorchakov, Dmitry; Glazkova, Iana; Belik, Alexey

    2014-10-27

    New results of {sup 57}Fe Mössbauer studies on BiFeO{sub 3} powder sample performed at various temperatures above and below magnetic phase transitions point T{sub N} ≈ 640K are reported. We have performed self-consistent calculations of the lattice contributions to the EFG tensor, taking into account dipole moments of the O{sup 2−} and Bi{sup 3+} ions. Low-temperature {sup 57}Fe Mössbauer spectra recorded at T < T{sub N} were analyzed assuming an anharmonic cycloidal modulation of the Fe{sup 3+} magnetic moments. The cycloidal modulation of the iron spin was described with the elliptic Jacobi function sn[(±4K(m)/λ)x,m]. The good fit of the experimental spectra was obtained for the anharmonicity m = 0.44 ± 0.04 (T = 4.9K) resulting from the easy-axis magnetic anisotropy.

  11. Impurity channels of the long-lived Mossbauer effect

    PubMed Central

    Liu, Yao-Yuan; Cheng, Yao

    2015-01-01

    Recent reports have suggested that the nuclear resonant absorption of a long-lived Mossbauer state e.g., 93mNb is mediated by an entangled photon pair (biphoton) rather than by a single photon. Multipolar nuclear excitation in crystals of a single isotope with a natural abundance of 100% spreads in a region containing billions of identical nuclei. As a consequence of the delocalisation, additional decay channels via the impurities, the crystal defects, and the sample boundary, give rise to a density- and temperature-dependent decay. In this letter we report our discovery of impurity channels, the intensity of which is proportional to the square of the 93mNb density. PMID:26503613

  12. ⁵⁷Fe polarization-dependent synchrotron Mössbauer spectroscopy using a diamond phase plate and an iron borate nuclear Bragg monochromator.

    PubMed

    Mitsui, Takaya; Imai, Yasuhiko; Masuda, Ryo; Seto, Makoto; Mibu, Ko

    2015-03-01

    Energy-domain (57)Fe polarization-dependent synchrotron radiation Mössbauer spectroscopy was developed by using a diamond X-ray phase plate and an iron borate nuclear Bragg monochromator. The former controls the polarization of the incident synchrotron radiation X-rays and the latter filters the (57)Fe-Mössbauer radiation with a narrow bandwidth of ∼3.4 Γ0 (Γ0 ≃ 4.7 neV: natural linewidth of the (57)Fe nucleus) from the broadband synchrotron radiation. The developed nuclear diffraction optics allowed (57)Fe-Mössbauer studies to be performed with various polarization states, i.e. linear polarization, circular polarization and non-polarization. In this paper, the spectrometer system, beam characterization, performance-test experiments and a grazing-incidence Mössbauer measurement of an isotope-enriched ((57)Fe: 95%) iron thin film are described. PMID:25723944

  13. {sup 57}Fe Moessbauer and x-ray magnetic circular dichroism study of magnetic compensation of the rare-earth sublattice in Nd{sub 2-x}Ho{sub x}Fe{sub 14}B compounds

    SciTech Connect

    Chaboy, J.; Piquer, C.; Plugaru, N.; Bartolome, F.; Laguna-Marco, M. A.

    2007-10-01

    We present here a study of the magnetic properties of the Nd{sub 2-x}Ho{sub x}Fe{sub 14}B series. The macroscopic properties of these compounds evolve continuously from those of Nd{sub 2}Fe{sub 14}B to those of Ho{sub 2}Fe{sub 14}B as Ho gradually replaces Nd. The system shows a compensation of the rare-earth sublattice magnetization for a critical concentration, x{sub c}=0.55, that is reflected into the anomalous behavior of both macroscopic and microscopic magnetic probes. The combined analysis of magnetization, {sup 57}Fe Moessbauer spectroscopy and Fe K-edge x-ray magnetic circular dichroism (XMCD) measurements suggests that the origin of the anomalous magnetic behavior found at x{sub c}=0.55 is mainly due to the Ho sublattice. Moreover, the analysis of the Fe K-edge XMCD signals reveal the presence of a rare-earth contribution, reflecting the coupling of the rare-earth and Fe magnetic moments, which can lead to the possibility of disentangling the magnetic behavior of both Fe and R atoms using a single absorption edge.

  14. Mössbauer spectroscopy of Basal Ganglia

    SciTech Connect

    Miglierini, Marcel; Lančok, Adriana; Kopáni, Martin; Boča, Roman

    2014-10-27

    Chemical states, structural arrangement, and magnetic features of iron deposits in biological tissue of Basal Ganglia are characterized. The methods of SQUID magnetometry and electron microscopy are employed. {sup 57}Fe Mössbauer spectroscopy is used as a principal method of investigation. Though electron microscopy has unveiled robust crystals (1-3 μm in size) of iron oxides, they are not manifested in the corresponding {sup 57}Fe Mössbauer spectra. The latter were acquired at 300 K and 4.2 K and resemble ferritin-like behavior.

  15. 57Fe Mössbauer and electrical studies of the (NiO)-(Cr2O3) x-(Fe2O3)2-x system

    NASA Astrophysics Data System (ADS)

    Fayek, M. K.; Ata-Allah, S. S.

    2003-08-01

    From 57Fe Mössbauer measurements carried out on the spinel ferrite under study, the ratio of the integrated intensities of 57Fe A- and B-site subspectra can be evaluated. The composition of the ferrite has been established as (Fe3+)[Ni2+Cr3+xFe3+1-x] for 0.0 ≤ x ≤ 0.6. The composition dependence of the Mössbauer hyperfine parameters (center shift and quadrupole splitting) displays no features in this composition range that would result from a qualitative change in electronic structure. The ac conductivity measurements re-veal a semiconducting behavior with a transition in the conductivity versus temperature curve. The transi-tion temperature is found to decrease linearly with increasing Cr concentration x. The dielectric parameters (and loss (tan δ)) of the studied samples exhibit dipolar relaxation effects. The results of conductivity and dielectric parameters are explained in the light of hopping conduction at the octahedral B sites.

  16. Mossbauer effect in the ion-implanted iron-carbon alloys

    NASA Technical Reports Server (NTRS)

    Han, K. S.

    1976-01-01

    The concentration dependence of Mossbauer effect in four carbon ion-implanted iron absorbers, which contain carbon as the solute atoms, has been investigated over the range of concentration 0.05 through 1 atomic percent. The specimens were prepared by implanting carbon atoms on each reference iron foil with four different bombarding energies of 250 keV, 160 keV, 140 keV and 80 keV, respectively. Thus, the specimen contains a uniform dosage of carbon atoms which penetrated up to 3,000 A depth of the reference iron. In the measurement of Mossbauer spectra, the backscattering conversion electron counting geometry was used. Typical results of Mossbauer parameters of iron-carbon alloys show that the isomer shift, quadrupole shift, the effective hyperfine splitting of Fe-57, and the intensity ratio exhibit a large variation with the increase of carbon concentration in the environment of iron atoms.

  17. Chemical bonding and quadrupole splittings of 57Fe Mössbauer spectrum in active sites of oxyhemoglobin as calculated by X α -discrete variation method

    NASA Astrophysics Data System (ADS)

    Yuryeva, E. I.

    2008-07-01

    Results of quantum-chemical X α -discrete variation method ( X α -DVM) calculations of interaction parameters between iron (II) and oxygen molecule in active sites of α- and β-subunits of oxyhemoglobin are presented within three models: without extra electron and in spin-unrestricted mode (model I); without extra electron and in spin-restricted mode (model II); with extra electrons in spin-unrestricted mode (model III). The electronic structure and 57Fe quadrupole splitting Δ E Q for the active site of α- and β-subunits (within model I) and only of the α-subunit (within models II and III) of oxyhemoglobin are calculated. The differences in Δ E Q values for these three models are discussed.

  18. Nuclear resonant scattering measurements on {sup 57}Fe by multichannel scaling with a 64-pixel silicon avalanche photodiode linear-array detector

    SciTech Connect

    Kishimoto, S. Haruki, R.; Mitsui, T.; Yoda, Y.; Taniguchi, T.; Shimazaki, S.; Ikeno, M.; Saito, M.; Tanaka, M.

    2014-11-15

    We developed a silicon avalanche photodiode (Si-APD) linear-array detector for use in nuclear resonant scattering experiments using synchrotron X-rays. The Si-APD linear array consists of 64 pixels (pixel size: 100 × 200 μm{sup 2}) with a pixel pitch of 150 μm and depletion depth of 10 μm. An ultrafast frontend circuit allows the X-ray detector to obtain a high output rate of >10{sup 7} cps per pixel. High-performance integrated circuits achieve multichannel scaling over 1024 continuous time bins with a 1 ns resolution for each pixel without dead time. The multichannel scaling method enabled us to record a time spectrum of the 14.4 keV nuclear radiation at each pixel with a time resolution of 1.4 ns (FWHM). This method was successfully applied to nuclear forward scattering and nuclear small-angle scattering on {sup 57}Fe.

  19. Structure and oscillational motion of /sup 57/Fe atoms in interstitial sites in Al as determined from interference of Moessbauer. gamma. radiation

    SciTech Connect

    Pauling, L.

    1981-12-01

    The first excited site of the /sup 57/Fe atom entrapped in an interstitial site in aluminum, as reported by W. Petry, G. Vogl, and W. Mansel (Phys. Rev. Lett. 45, 1862 (1980)) from a Moessbauer spectroscopic study of a single crystal, is analyzed by consideration of the value of the Hooke's law constant of the Fe-Al bonds obtained from the values for elemental Fe and Al. The eight wavefunctions for the eightfold nearly degenerate excited state are described as 2s1p1d1f hybrids of three-dimensional harmonic oscillator wavefunctions relative to the center of the undistorted Al/sub 6/ octahedron or as localized 1s functions relative to the center of the distorted octahedron. These considerations provide a qualitative understanding of the observations on this system.

  20. Observation of Flux-Grown α-Fe2O3 Single Crystal at the Morin Transition by 57Fe Synchrotron Radiation Mössbauer Diffraction

    NASA Astrophysics Data System (ADS)

    Mitsui, Takaya; Nakamura, Shin; Ikeda, Naoshi; Fujiwara, Kosuke; Masuda, Ryo; Kobayashi, Yasuhiro; Seto, Makoto

    2016-05-01

    The Morin transition of a high-quality flux-grown single crystal of α-Fe2O3 was studied by 57Fe synchrotron radiation Mössbauer diffraction. The measured rocking curves and Mössbauer spectra gave direct evidence that the coexistence of magnetic phases during the Morin transition occurred over a wide temperature range. The complex magnetic structure at the phase coexistence induced a large magnetostrictive distortion in the α-Fe2O3 crystal surface. In contrast, however, when the antiferromagnetic phase was dominant at low temperatures, the distortion disappeared, and the initial high crystal perfection was recovered. The spectral line shapes were discussed in terms of the interference between electronic and nuclear scatterings.

  1. Mössbauer emission measurements on highly dilute ^{57}Fe impurities in the high T_C superconductors La{2 -x}SrxCuO4

    NASA Astrophysics Data System (ADS)

    Garcin, C.; Imbert, P.; Bonville, P.; Hodges, J. A.

    1994-12-01

    Mössbauer emission measurements on quasi-isolated ^{57}Fe impurities substituted for Cu in La{2-x}SrxCuO4 show a rapid change in the local magnetic behaviour when the Sr content x exceeds an effective value x_t, which is roughly at the centre of the superconducting x range in the phase diagram For x < x_t, the Fe^{3+} impurity systematically pins a Cu spinglass cluster where the spins are oriented near the basal plane, with a freezing temperature of 8 ± 1 K with respect to the characteristic time scale of the Mössbauer probe. For x > x_t, the probe no longer detects local antiferromagnetic ordering, but it reveals the presence of an induced locahzed magnetization in the Cu sublattice, which is preferentially oriented near the {bar c} axis for the largest x values. The results are discussed and compared with other available measurements, including our previous ^{57}Fe Mössbauer absorption study in the saine sertes. Des expériences d'émission Mössbauer effectuées sur des impuretés quasi-isolées de ^{57}Fe substituées à Cu dans La{2-x}Sr{x}CuO4 montrent un changement rapide du comportement magnétique local quand la teneur x en Sr excède une valeur effective x_t, située approximativement au centre du domaine en x associé à la supraconductivité dans le diagramme de phase. Pour x < x_t, l'impureté de Fe^{3+} s'entoure systématiquement d'une zone verre de spin, où les spins du cuivre s'orientent au voisinage du plan de base, avec une température de gel de 8 ± 1 K vis-à-vis du temps de réponse caractéristique de la sonde Mössbauer. Pour x > x_t, la sonde ne détecte plus d'ordre antiferromagnétique local, mais elle révèle l'existence d'une aimantation locale induite dans le sous-réseau du cuivre, qui présente une orientation préférentielle suivant l'axe {bar c} pour les valeurs de x les plus grandes. Les résultats sont discutés et comparés aux autres mesures disponibles, y compris celles de notre étude précédente par absorption M

  2. Search for 14.4 keV solar axions emitted in the M1-transition of {sup 57}Fe nuclei with CAST

    SciTech Connect

    Andriamonje, S.; Aune, S.; Dafni, T.; Ferrer-Ribas, E.; Autiero, D.; Barth, K.; Davenport, M.; Lella, L. Di; Belov, A.; Beltrán, B.; Carmona, J.M.; Cebrián, S.; Bräuninger, H.; Englhauser, J.; Friedrich, P.; Collar, J.I.; Eleftheriadis, C.; Fanourakis, G.; Fischer, H.; Franz, J.; Collaboration: CAST collaboration; and others

    2009-12-01

    We have searched for 14.4 keV solar axions or more general axion-like particles (ALPs), that may be emitted in the M1 nuclear transition of {sup 57}Fe, by using the axion-to-photon conversion in the CERN Axion Solar Telescope (CAST) with evacuated magnet bores (Phase I). From the absence of excess of the monoenergetic X-rays when the magnet was pointing to the Sun, we set model-independent constraints on the coupling constants of pseudoscalar particles that couple to two photons and to a nucleon g{sub aγ}|−1.19g{sub aN}{sup 0}+g{sub aN}{sup 3}| < 1.36 × 10{sup −16} GeV{sup −1} for m{sub a} < 0.03 eV at the 95% confidence level.

  3. Pigmenting agents in Martian soils: inferences from spectral, Mossbauer, and magnetic properties of nanophase and other iron oxides in Hawaiian palagonitic soil PN-9.

    PubMed

    Morris, R V; Golden, D C; Bell JF 3rd; Lauer, H V; Adams, J B

    1993-10-01

    We have examined a Hawaiian palagonitic tephra sample (PN-9) that has spectroscopic similarities to Martian bright regions using a number of analytical techniques, including Mossbauer and reflectance spectroscopy, X-ray diffraction, instrumental neutron activation analysis, electron probe microanalysis, transmission electron microscopy, and dithionite-citrate-bicarbonate extraction. Chemically, PN-9 has a Hawaiitic composition with alkali (and presumably silica) loss resulting from leaching by meteoric water during palagonitization; no Ce anomaly is present in the REE pattern. Mineralogically, our results show that nanophase ferric oxide (np-Ox) particles (either nanophase hematite (np-Hm) or a mixture of ferrihydrite and np-Hm) are responsible for the distinctive ferric doublet and visible-wavelength ferric absorption edge observed in Mossbauer and reflectivity spectra, respectively, for this and other spectrally similar palagonitic samples. The np-Ox particles appear to be imbedded in a hydrated aluminosilicate matrix material; no evidence was found for phyllosilicates. Other iron-bearing phases observed are titanomagnetite, which accounts for the magnetic nature of the sample; olivine; pyroxene; and glass. By analogy, np-Ox is likely the primary pigmenting agent of the bright soils and dust of Mars.

  4. Pigmenting agents in Martian soils: inferences from spectral, Mossbauer, and magnetic properties of nanophase and other iron oxides in Hawaiian palagonitic soil PN-9

    NASA Technical Reports Server (NTRS)

    Morris, R. V.; Golden, D. C.; Lauer, H. V. Jr; Adams, J. B.

    1993-01-01

    We have examined a Hawaiian palagonitic tephra sample (PN-9) that has spectroscopic similarities to Martian bright regions using a number of analytical techniques, including Mossbauer and reflectance spectroscopy, X-ray diffraction, instrumental neutron activation analysis, electron probe microanalysis, transmission electron microscopy, and dithionite-citrate-bicarbonate extraction. Chemically, PN-9 has a Hawaiitic composition with alkali (and presumably silica) loss resulting from leaching by meteoric water during palagonitization; no Ce anomaly is present in the REE pattern. Mineralogically, our results show that nanophase ferric oxide (np-Ox) particles (either nanophase hematite (np-Hm) or a mixture of ferrihydrite and np-Hm) are responsible for the distinctive ferric doublet and visible-wavelength ferric absorption edge observed in Mossbauer and reflectivity spectra, respectively, for this and other spectrally similar palagonitic samples. The np-Ox particles appear to be imbedded in a hydrated aluminosilicate matrix material; no evidence was found for phyllosilicates. Other iron-bearing phases observed are titanomagnetite, which accounts for the magnetic nature of the sample; olivine; pyroxene; and glass. By analogy, np-Ox is likely the primary pigmenting agent of the bright soils and dust of Mars.

  5. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    SciTech Connect

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Lubitz, Wolfgang; Cramer, Stephen P.

    2015-08-10

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging’ mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. Lastly, the present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts.

  6. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    NASA Astrophysics Data System (ADS)

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Tanaka, Yoshihito; Lubitz, Wolfgang; Cramer, Stephen P.

    2015-08-01

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique `wagging' mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe-CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. The present methodology is also relevant to characterizing Fe-H moieties in other important natural and synthetic catalysts.

  7. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    PubMed Central

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Tanaka, Yoshihito; Lubitz, Wolfgang; Cramer, Stephen P.

    2015-01-01

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging' mode involving H− motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H− binding Ni more tightly than Fe. The present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts. PMID:26259066

  8. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    DOE PAGES

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; et al

    2015-08-10

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging’ mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate amore » low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. Lastly, the present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts.« less

  9. Cation distribution in Ni–Cu–Zn nanoferrites from {sup 57}Fe in-field Mössbauer spectra

    SciTech Connect

    Prameela, P.; Kumar, A. Mahesh; Choudary, G.S.V.R.K.; Rao, K.H.; Reddy, V.R.

    2014-11-15

    Highlights: • Occupancy of copper ions at about 20% towards tetrahedral sites. • Distribution is proposed on the basis of % of Fe ions at both A and B sites. • Distribution is checked by estimating the theoretical lattice constant values. - Abstract: The nanoparticles of Ni{sub 1−x}Cu{sub x}Zn{sub 0.35}Fe{sub 2}O{sub 4} were synthesized by sol–gel method using polyvinyl alcohol as a chelating agent. X-ray diffraction patterns of all the samples confirmed the single phase spinel structure. The site occupancy of copper in the nanosized nickel–zinc ferrite spinels was investigated with the help of in-field Mössbauer spectroscopy. Cation distribution for the whole series of compositions was proposed by considering the amounts of iron ions present at both tetrahedral and octahedral interstitial sites in the spinel lattice. Confirmation of the proposed distributions was done by estimating quantitatively the lattice parameters for these compositions and comparing their values with those of the experimentally observed ones.

  10. Hydride Properties and IRON-57 Mossbauer Effect Studies in TITANIUM(COPPER(1-Y)IRON(Y)) Intermetallic Compounds.

    NASA Astrophysics Data System (ADS)

    Zakaria, Ahmad

    1987-12-01

    The hydrogen absorption properties of the Ti(Cu _{rm 1-y}Fe _{rm y}) (0 <=q y <=q 1) intermetallic compound were systematically investigated. X-ray diffraction data indicated that the intermetallic compound adopted the gammaTiCu structure for 0 <=q y <=q.1 and crystallized in the TiFe structure for.5 <=q y <=q 1. A mixture of these two phases was observed for 0.1 < y <.5. The lattice parameters for the pure intermetallic compounds and hydrided samples were measured. The heat of hydride formation, DeltaH, as a function of Fe content was determined from pressure-composition isotherms and the Van't Hoff relation. In the composition range 0 <=q y <=q.1 the value of DeltaH varied from -74.3 kJ (mole H_{2 })^{-1} to -59.1 kJ (mole H_{2})^{ -1}. For.5 <=q y <=q 1 it went from -49.5 kJ (mole H_{2})^{-1} to -27.3 kJ (mole H_ {2})^{-1}. We have found that DeltaH values derived from a model proposed by Shilov et al. for calculating DeltaH of the multicomponent hydrides were in good agreement with the experimental data by about 3%. Other properties of the hydride such as hydrogen storage capacity and hysteresis effect were also found to be y dependent. Systematic ^{57}Fe Mossbauer effect studies were also carried out in the intermetallic compound and hydride systems with the emphasis on the isomer shift measurements. The total s-electron densities at the Fe nucleus (|psi_{ rm s}({rm o})|^ {2}) increases when the Fe content y decreases in the pure intermetallic compounds. | psi_{rm s}({rm o })|^{2} decreases with the introduction of the hydrogen. In the hydride system |psi_{rm s}({rm o})|^{2 } was found to be y independent. Interpretation of the data was based on the changes in | psi_{rm s}({rm o })|^{2} due to expansion and contraction of the host lattice and the electronic structure differences. The decrease in | psi_{rm s}({rm o })|^{2} due to the hydrogenation in the TiCu-like hydride (0 <=q y <=q.1) could be accounted for by the volume effect only. For TiFe-like hydride

  11. 57Fe Mössbauer spectroscopy investigations of iron oxidation states in the Harmattan dust nutrient contribution to West African soils

    NASA Astrophysics Data System (ADS)

    Adetunji, Jacob

    2014-12-01

    A variety of investigations have been carried out on Harmattan dust over many decades demonstrating the continuing importance of the Harmattan dust phenomenon. The investigations have included elemental enrichment factors, mineralogical nutrient input through dust deposition on the soil, meteorological studies, etc. Harmattan dust is important, not only for its impact on radio communication and low visibility in the shipping lanes over the Atlantic, but also on the livelihood and health of people living in countries over which the dust-laden Harmattan wind blows. However, so far, the aspect of nutrient mineral deposition on the soil has not been thoroughly investigated and requires attention, since the majority of people living in West Africa rely heavily on agriculture. It is therefore relevant to know the useful nutrients in the Harmattan dust deposited on soils of the region. This study is therefore aimed at determining the ferric-ferrous ratio of the iron-bearing minerals contained in the Harmattan dust, so their nutritional contribution can be considered. The Mössbauer technique is a powerful tool for studying the ferric-ferrous ratio and has therefore been used, for the first time, to determine the oxidation states of iron in the dust samples. The results of the analysis show that the Harmattan dust is seriously deficient in ferrous iron, which is the more soluble Fe-ion, needed in the soil for healthy crops and plants in general.

  12. Observation of Fe-H/D modes by nuclear resonant vibrational spectroscopy.

    PubMed

    Bergmann, Uwe; Sturhahn, Wolfgang; Linn, Donald E; Jenney, Francis E; Adams, Michael W W; Rupnik, Kresimir; Hales, Brian J; Alp, Ercan E; Mayse, Aaron; Cramer, Stephen P

    2003-04-01

    Metal-hydrogen bonding is important in chemistry and catalysis, but H atoms are often difficult to observe, especially in metalloproteins. In this work we show that Fe-H interactions can be probed by nuclear resonance vibrational spectroscopy at the 14.4 keV 57Fe nuclear resonance. An important advantage of this method, compared to Raman and IR spectroscopy, is the selectivity for modes that involve 57Fe motion. We present data on the FeS4 site in rubredoxin and the [FeH(D)6]2- ion. Prospects for studying more complex systems are discussed.

  13. Observation of Fe-H/D Modes by Nuclear Resonant Vibrational Spectroscopy

    SciTech Connect

    Bergman, U B; Sturhahn, W; Linn, D E; Jenny, F E; Adams, M W. W.; Rupnik, K; Hales, B J; Alp, E E; Mayse, A; Cramer, S P; XFD,

    2003-04-01

    Metal-hydrogen bonding is important in chemistry and catalysis, but H atoms are often difficult to observe, especially in metalloproteins. In this work we show that Fe-H interactions can be probed by nuclear resonance vibrational spectroscopy at the 14.4 keV 57Fe nuclear resonance. An important advantage of this method, compared to Raman and IR spectroscopy, is the selectivity for modes that involve {sup 57}Fe motion. We present data on the FeS{sub 4} site in rubredoxin and the [FeH(D){sub 6}]{sup 2-} ion. Prospects for studying more complex systems are discussed.

  14. M"ossbauer study of corrosion and abrasion products in oil transporting pipes

    NASA Astrophysics Data System (ADS)

    Gomez, Raul W.; Perez Mazariego, Jose Luis; Marquina, Vivianne; Marquina, Ma. Luisa; Ridaura, Rosalia; Martinez, Lorenzo

    2012-02-01

    It is known that one of the main technological problems in carbon steel oleoducts is the corrosion produced by different substances, such as water, carbon dioxide, sulfur, and microorganisms. In addition, if in such mixture there is sand, aggressive sludge can be form that abrasions material from the oleoduct. A room temperature M"ossbauer study of corroded material taken from different sites of oleoducts is presented. Most of the M"ossbauer spectra reveal the presence of nanoparticles, indicating that in these pipes the abrasion problem is severe. A preliminary identification of the oxidized samples suggests the presence of magnetite, and some Iron hydroxides. Further studies are in course in order to identify unambiguously the products present in the corroded materials.

  15. The importance of a Ni correction with ion counter in the double spike analysis of Fe isotope compositions using a 57Fe/58Fe double spike

    NASA Astrophysics Data System (ADS)

    Finlayson, V. A.; Konter, J. G.; Ma, L.

    2015-12-01

    We present a new method capable of measuring iron isotope ratios of igneous materials to high precision by multicollector inductively coupled plasma mass spectrometry (MC-ICP-MS) using a 57Fe-58Fe double spike. After sample purification, near-baseline signal levels of nickel are still present in the sample solution, acting as an isobaric interference on 58 amu. To correct for the interference, the minor 60Ni isotope is monitored and used to subtract a proportional 58Ni signal from the total 58 amu beam. The 60Ni signal is difficult to precisely measure on the Faraday detector due to Johnson noise occurring at similar magnitude. This noise-dominated signal is subtracted from the total 58 amu beam, and its error amplified during the double spike correction. Placing the 60Ni beam on an ion counter produces a more precise measurement, resulting in a near-threefold improvement in δ56Fe reproducibility, from ±0.145‰ when measured on Faraday to 0.052‰. Faraday detectors quantify the 60Ni signal poorly, and fail to discern the transient 20Ne40Ar interference visible on the ion counter, which is likely responsible for poor reproducibility. Another consideration is instrumental stability (defined herein as drift in peak center mass), which affects high-resolution analyses. Analyses experiencing large drift relative to bracketing standards often yield nonreplicating data. Based on this, we present a quantitative outlier detection method capable of detecting drift-affected data. After outlier rejection, long-term precision on individual runs of our secondary standard improves to ±0.046‰. Averaging 3-4 analyses further improves precision to 0.019‰, allowing distinction between ultramafic minerals.

  16. Search for 14.4 keV solar axions from M1 transition of {sup 57}Fe with CUORE crystals

    SciTech Connect

    2013-05-01

    We report the results of a search for axions from the 14.4 keV M1 transition from {sup 57}Fe in the core of the sun using the axio-electric effect in TeO{sub 2} bolometers. The detectors are 5 × 5 × 5 cm{sup 3} crystals operated at about 10 mK in a facility used to test bolometers for the CUORE experiment at the Laboratori Nazionali del Gran Sasso in Italy. An analysis of 43.65 kg⋅d of data was made using a newly developed low energy trigger which was optimized to reduce the energy threshold of the detector. An upper limit of 0.58 c⋅kg{sup −1}⋅d{sup −1} is established at 95% C.L., which translates into lower bounds f{sub A} ≥ 3.12 × 10{sup 5} GeV 95% C.L. (DFSZ model) and f{sub A} ≥ 2.41 × 10{sup 4} GeV 95% C.L. (KSVZ model) on the Peccei-Quinn symmetry-breaking scale, for a value of S = 0.5 of the flavor-singlet axial vector matrix element. These bounds can be expressed in terms of axion masses as m{sub A} ≤ 19.2 eV and m{sub A} ≤ 250 eV at 95% C.L. in the DFSZ and KSVZ models respectively. Bounds are given also for the interval 0.35 ≤ S ≤ 0.55.

  17. Effects of Palagonitic Dust Coatings on Visible, Near-IR, and Mossbauer Spectra of Rocks and Minerals: Implication for Mineralogical Remote Sensing of Mars

    NASA Technical Reports Server (NTRS)

    Morris, R.; Graff, T. G.; Shelfer, T. D.; Bell, J. F., III

    2001-01-01

    Visible, near-IR, and Mossbauer measurements on dust coated rocks and minerals show that a 300 5m thick layer is required to obscure the substrate for VNIR measurements and that a greater than 2000-micron-thick layer is required to obscure the substrate for Mossbauer measurements. Additional information is contained in the original extended abstract.

  18. The MER Mossbauer Spectrometers: 40 Months of Operation on the Martian Surface

    NASA Technical Reports Server (NTRS)

    Fleischer, Iris; Rodionov, D.; Schroeder, C.; Morris, R.; Yen, A.; Ming, D.; McCoy, T.; Mittlefehldt, D.; Gellert, R.; Cohen, B.; Schmidt, M.; Klingelhoefer, Goestar

    2007-01-01

    The primary MER objectives have been successfully completed. The total integration time of all MB measurements exceeds the duration of the primary 90-sols-mission for Spirit's MB spectrometer, and approaches this value for Opportunity's MB spectrometer. Both MB spectrometers continue to accumulate valuable scientific data after three years of operation (data is available for download [13]) The identification of aqueous minerals such as goethite in Gusev crater and jarosite at Meridiani Planum by the MER Mossbauer spectrometers is strong evidence for past water activity at the two landing sites.

  19. Effect of thermal history on Mossbauer signature and hyperfine interaction parameters of copper ferrite

    SciTech Connect

    Modi, K. B. Raval, P. Y.; Dulera, S. V.; Kathad, C. R.; Shah, S. J.; Trivedi, U. N.; Chandra, Usha

    2015-06-24

    Two specimens of copper ferrite, CuFe{sub 2}O{sub 4}, have been synthesized by double sintering ceramic technique with different thermal history i.e. slow cooled and quenched. X-ray diffractometry has confirmed single phase fcc spinel structure for slow cooled sample while tetragonal distortion is present in quenched sample. Mossbauer spectral analysis for slow-cooled copper ferrite reveals super position of two Zeeman split sextets along with paramagnetic singlet in the centre position corresponds to delafossite (CuFeO{sub 2}) phase that is completely absent in quenched sample. The hyperfine interaction parameters are highly influenced by heat treatment employed.

  20. Effect of thermal history on Mossbauer signature and hyperfine interaction parameters of copper ferrite

    NASA Astrophysics Data System (ADS)

    Modi, K. B.; Raval, P. Y.; Dulera, S. V.; Kathad, C. R.; Shah, S. J.; Trivedi, U. N.; Chandra, Usha

    2015-06-01

    Two specimens of copper ferrite, CuFe2O4, have been synthesized by double sintering ceramic technique with different thermal history i.e. slow cooled and quenched. X-ray diffractometry has confirmed single phase fcc spinel structure for slow cooled sample while tetragonal distortion is present in quenched sample. Mossbauer spectral analysis for slow-cooled copper ferrite reveals super position of two Zeeman split sextets along with paramagnetic singlet in the centre position corresponds to delafossite (CuFeO2) phase that is completely absent in quenched sample. The hyperfine interaction parameters are highly influenced by heat treatment employed.

  1. Mars Mineral Spectroscopy Web Site: A Resource for Remote Planetary Spectroscopy

    NASA Technical Reports Server (NTRS)

    Dyar, M. D.; Schaefer, M. W.; Griswold, J. L.; Hanify, K. M.; Rothstein, Y.

    2004-01-01

    A web site dedicated to Mars Mineral Spectroscopy has been established at http://www.mtholyoke.edu/go/mars. Its goal is to provide an easily accessible data set of Mossbauer spectra of minerals collected over a range of temperatures, to provide suitable analog spectra for data acquired on remote surfaces such as Mars. Complementing these data (eventually) will be both reflectance FTIR data, collected at Brown University's RELAB facility, and Raman spectra to be collected by Jill Pasteris at Washington University St. Louis. Through our Education link, we provide information for those wishing to learn about how Mossbauer and other types of spectroscopy work. Our emphasis is to study only well-characterized mineral samples that represent typical rock-forming occurrences such as might exist on Mars and other terrestrial bodies in our solar system.

  2. Properties of Martian Hematite at Meridiani Planum by Simultaneous Fitting of Mars Mossbauer Spectra

    NASA Technical Reports Server (NTRS)

    Agresti, D. G.; Fleischer, I.; Klingelhoefer, G.; Morris, R. V.

    2010-01-01

    Mossbauer spectrometers [1] on the two Mars Exploration Rovers (MERs) have been making measurements of surface rocks and soils since January 2004, recording spectra in 10-K-wide temperature bins ranging from 180 K to 290 K. Initial analyses focused on modeling individual spectra directly as acquired or, to increase statistical quality, as sums of single-rock or soil spectra over temperature or as sums over similar rock or soil type [2, 3]. Recently, we have begun to apply simultaneous fitting procedures [4] to Mars Mossbauer data [5-7]. During simultaneous fitting (simfitting), many spectra are modeled similarly and fit together to a single convergence criterion. A satisfactory simfit with parameter values consistent among all spectra is more likely than many single-spectrum fits of the same data because fitting parameters are shared among multiple spectra in the simfit. Consequently, the number of variable parameters, as well as the correlations among them, is greatly reduced. Here we focus on applications of simfitting to interpret the hematite signature in Moessbauer spectra acquired at Meridiani Planum, results of which were reported in [7]. The Spectra. We simfit two sets of spectra with large hematite content [7]: 1) 60 rock outcrop spectra from Eagle Crater; and 2) 46 spectra of spherule-rich lag deposits (Table 1). Spectra of 10 different targets acquired at several distinct temperatures are included in each simfit set. In the table, each Sol (martian day) represents a different target, NS is the number of spectra for a given sol, and NT is the number of spectra for a given temperature. The spectra are indexed to facilitate definition of parameter relations and constraints. An example spectrum is shown in Figure 1, together with a typical fitting model. Results. We have shown that simultaneous fitting is effective in analyzing a large set of related MER Mossbauer spectra. By using appropriate constraints, we derive target-specific quantities and the

  3. Exploration of synchrotron Mossbauer micrscopy with micrometer resolution: forward and a new backscattering modality on natural samples

    SciTech Connect

    Yan, L.; Zhao, J.; Toellner, T.S.; Divan, R.; Xu, S.; Cai, Z.; Boesenberg, J.S.; Freidrich, J.M.; Cramer, S.P.; Alp, E.E.

    2012-01-01

    New aspects of synchrotron Moessbauer microscopy are presented. A 5 {micro}m spatial resolution is achieved, and sub-micrometer resolution is envisioned. Two distinct and unique methods, synchrotron Moessbauer imaging and nuclear resonant incoherent X-ray imaging, are used to resolve spatial distribution of species that are chemically and magnetically distinct from one another. Proof-of-principle experiments were performed on enriched {sup 57}Fe phantoms, and on samples with natural isotopic abundance, such as meteorites.

  4. Does Lafayette = Nakhla? Not necessarily so, based on 4.2K Mossbauer spectra of all of the SNC meteorites

    NASA Technical Reports Server (NTRS)

    Burns, Roger G.

    1991-01-01

    In previous Mossbauer spectral studies of many of the Shergotite Nakhlite Chassignite (SNC) meteorites, attention was drawn to the close similarities of spectrum profiles between Lafayette and Nakhla, which were once suggested to be identical meteorites. These observations led to the acquisition of Governador Valadares and another specimen of Nakhla, as well as Zagami and Shergotty, for Mossbauer spectral measurements at 4.2K. Results reported here demonstrate that there are subtle differences between the three nakhlites (Nakhla, Lafayette, and Governador Valadares), as there are for three of the shergottites (Shergotty, Zagami, EETA 79001/lithologies A and B) and olivine-dominated Chassigny and ALHA 77005, indicating that all eight of the SNC meteorites discovered to data fell independently to Earth.

  5. The Miniaturized Mossbauer Spectrometer MIMOS II for the Asteroid Redirect Mission (ARM): Quantitative Iron Mineralogy and Oxidation States

    NASA Technical Reports Server (NTRS)

    Schroder, Christian; Klingelhofer, Gostar; Morris, Richard V.; Yen, Albert S.; Renz, Franz; Graff, Trevor G.

    2016-01-01

    The miniaturized Mossbauer spectrometer MIMOS II is an off-the-shelf instrument, which has been successfully deployed during NASA's Mars Exploration Rover (MER) mission and was on-board the ESA/UK Beagle 2 Mars lander and the Russian Phobos-Grunt sample return mission. We propose to use a fully-qualified flight-spare MIMOS II instrument available from these missions for in situ asteroid characterization with the Asteroid Redirect Robotic Mission (ARRM).

  6. Effects of Al substitution and thermal annealing on magnetoelectric Ba0.5Sr1.5Zn2Fe12O22 investigated by the enhancement factor of 57Fe nuclear magnetic resonance.

    PubMed

    Kwon, Sangil; Kang, Byeongki; Kim, Changsoo; Jo, Euna; Lee, Soonchil; Chai, Yi Sheng; Chun, Sae Hwan; Kim, Kee Hoon

    2014-04-01

    The magnetoelectric properties of hexaferrite Ba0.5Sr1.5Zn2Fe12O22 are significantly improved by Al substitution and thermal annealing. Measuring the enhancement factor of 57Fe NMR, we found direct microscopic evidence that the magnetic moments of the L and S blocks are rotated by a magnetic field in such a way as to increase the net magnetic moment of a magnetic unit, even after the field is removed. Al substitution makes magnetoelectric property arise easily by suppressing the easy-plane anisotropy. The effect of thermal annealing is to stabilize the multiferroic state by reducing the number of pinning sites and the electron spin fluctuation. The transverse conic structure gradually changes to the alternating longitudinal conic structure where spins fluctuate more severely.

  7. sup 14,15 N, sup 13 C, sup 57 Fe, and sup 1,2 H Q-band ENDOR study of Fe-S proteins with clusters that have endogenous sulfur ligands

    SciTech Connect

    Houseman, A.L.P.; Chaoliang Fan; Werst, M.M.; Hoffman, B.M. ); Byungha Oh; Markley, J.L. ); Kennedy, M.C.; Beinert, H. )

    1992-02-25

    The benefits of performing ENDOR experiments at higher microwave frequency are demonstrated in a Q-band (35 GHz) ENDOR investigation of a number of proteins with (nFe-mS) clusters, n = 2,3,4. Each protein displays several resonances in the frequency range of 0-20 MHz. In all instances, features are seen near {nu} {approx} 13 and 8 MHz that can be assigned, respectively, to distant ENDOR from {sup 13}C in natural-abundance (1.1%) and from {sup 14}N. In addition, a number of proteins show local {sup 13}C ENDOR signals with resolved hyperfine interactions; these are assigned to the {beta} carbons of cysteines bound to the cluster. Quadrupole coupling constants are derived for both local and distant {sup 14}N signals. The interpretation of the data is supported by studies on {sup 15}N- and {sup 13}C-enriched ferredoxin (Fd) from Anabaena 7120, where the {sup 15}N signals can be clearly correlated with the corresponding {sup 14}N signals and where the {sup 13}C signals are strongly enhanced. Thus, the observation of {sup 14}N {Delta}m{sub I} = {plus minus} 2 signals at Q-band provides a new technique for examining weak interactions with a cluster. Six proteins show an additional pattern near {nu} {approx} 18 MHz that arises from {sup 57}Fe in natural abundance (2.2%) with A({sup 57}Fe) {approx} 36 MHz, which opens the possibility of studying proteins for which enrichment is impractical. Q-band ENDOR studies also have been carried out on four {sup 2}H-exchanged Fe-S proteins, and ENDOR detects exchangeable protons in each. The importance of these findings for the interpretation of X- and Q-band ENDOR at low radiofrequencies is discussed.

  8. A Synthetic Single-Site Fe Nitrogenase: High Turnover, Freeze-Quench (57)Fe Mössbauer Data, and a Hydride Resting State.

    PubMed

    Del Castillo, Trevor J; Thompson, Niklas B; Peters, Jonas C

    2016-04-27

    The mechanisms of the few known molecular nitrogen-fixing systems, including nitrogenase enzymes, are of much interest but are not fully understood. We recently reported that Fe-N2 complexes of tetradentate P3(E) ligands (E = B, C) generate catalytic yields of NH3 under an atmosphere of N2 with acid and reductant at low temperatures. Here we show that these Fe catalysts are unexpectedly robust and retain activity after multiple reloadings. Nearly an order of magnitude improvement in yield of NH3 for each Fe catalyst has been realized (up to 64 equiv of NH3 produced per Fe for P3(B) and up to 47 equiv for P3(C)) by increasing acid/reductant loading with highly purified acid. Cyclic voltammetry shows the apparent onset of catalysis at the P3(B)Fe-N2/P3(B)Fe-N2(-) couple and controlled-potential electrolysis of P3(B)Fe(+) at -45 °C demonstrates that electrolytic N2 reduction to NH3 is feasible. Kinetic studies reveal first-order rate dependence on Fe catalyst concentration (P3(B)), consistent with a single-site catalyst model. An isostructural system (P3(Si)) is shown to be appreciably more selective for hydrogen evolution. In situ freeze-quench Mössbauer spectroscopy during turnover reveals an iron-borohydrido-hydride complex as a likely resting state of the P3(B)Fe catalyst system. We postulate that hydrogen-evolving reaction activity may prevent iron hydride formation from poisoning the P3(B)Fe system. This idea may be important to consider in the design of synthetic nitrogenases and may also have broader significance given that intermediate metal hydrides and hydrogen evolution may play a key role in biological nitrogen fixation. PMID:27026402

  9. High-temperature fractionation of stable iron isotopes in terrestrial and extra-terrestrial samples determined by ultra-precise measurements with a 57Fe-58Fe double spike and MC-ICPMS

    NASA Astrophysics Data System (ADS)

    Millet, M.; Baker, J.

    2010-12-01

    We have developed techniques for precise stable Fe isotope measurement utilising a 57Fe-58Fe double spike and pseudo-high-resolution MC-ICPMS. Instrumental mass bias is corrected using a 57Fe-58Fe double spike with a spike 58Fe/57Fe ratio of 1.012. Fe isotope analyses are carried out on a Nu Plasma MC-ICPMS with a DSN-100 desolvating nebuliser system. The MC-ICPMS is operated in pseudo-high-resolution mode with a mass resolution of ca. 3000 on all Fe isotopes permitting resolution of Fe isotope peaks from argide interferences. Residual interferences in the form of tails from these Ar-based interferences are corrected for by normalizing data to analyses of bracketing standards of the IRMM-014 standard. Repeated measurement of IRMM-014 yields an external reproducibility of 0.02‰ (2sd, n=26) on δ56Fe. Fe is separated from samples using conventional anion-exchange techniques. Replicate digestions of the JF-2 alkali feldspar standard yield an external reproducibility of 0.025‰ (2sd, n=5). Based on those results, error models predict that precisions of ≤ 0.01‰ (2sd) are attainable for standards and samples by combining multiple measurements of several sample digestions. We will present ultra-precise measurements of an array of international rock standards utilizing these techniques. We have obtained precise stable Fe isotope results on silicate minerals from a range of terrestrial magmatic rocks (basalt to rhyolite) and basaltic meteorites (angrites and eucrites). These results indicate that substantial stable Fe isotope fractionations (δ56Fe = -1.0 to 0.85‰) exist in high-temperature magmatic systems on Earth, which appear to be redox-controlled. Fe2+-dominated minerals like olivine display marked enrichment in light isotopes of Fe (δ56Fe = -0.35 to -0.30‰) compared to the host basaltic melt (δ56Fe = 0.05 to 0.22‰). Conversely, clinopyroxene typically has a stable Fe isotope composition only slightly lower or similar to the host melt. Notably

  10. The {sup 57}Fe nuclear magnetic resonance shielding in ferrocene revisited. A density-functional study of orbital energies, shielding mechanisms, and the influence of the exchange-correlation functional

    SciTech Connect

    Schreckenbach, G.

    1999-06-01

    The {sup 57}Fe nuclear magnetic resonance (NMR) shielding and chemical shift in ferrocene, Fe(C{sub 5}H{sub 5}){sub 2}, are studied using density functional theory (DFT) and gauge-including atomic orbitals (GIAO). Electronic factors contributing to the chemical shift are discussed in detail. It is shown that the chemical shift is entirely determined by paramagnetic contributions which in turn are dominated by metal based occupied-virtual d{r_arrow}d couplings. In particular, the HOMO-1(a{sub 1}{sup {prime}}) and the HOMO (e{sub 2}{sup {prime}}) couple with the LUMO (e{sub 1}{sup {double_prime}}). It is argued that the {sup 57}Fe nucleus in ferrocene is less shielded than in the reference compound (iron pentacarbonyl) due to a smaller HOMO-LUMO gap, resulting in stronger interactions between occupied and virtual orbitals. The influence of the XC functional on the calculated molecular orbital (MO) energies of frontier orbitals is discussed. Different generalized gradient approximations (GGA) give similar results whereas hybrid functionals that incorporate part of the Hartree{endash}Fock exchange stabilize occupied MOs strongly and destabilize virtual MOs. HOMO-LUMO gaps are nearly doubled as a result. The previously noted {open_quotes}dramatic influence{close_quotes} of different exchange-correlation (XC) functionals on the calculated chemical shifts is analyzed. The influence of the XC functional is realized through the paramagnetic part of the shielding; hybrid functionals increase it in absolute terms as compared to pure DFT (GGA). It is argued that three factors are responsible. These are (i) the increased occupied-virtual gaps, (ii) the more diffuse nature of virtual orbitals, and (iii) the coupling due to the Hartree{endash}Fock exchange in hybrid functionals. The last two factors increase the paramagnetic part of the shielding, and this effect is only partly reversed by the increased occupied-virtual gaps that result in reduced interactions. It is suggested

  11. Neutron In-beam Moessbauer Spectroscopy with a Parallel Plate Avalanche Counter

    SciTech Connect

    Kubo, M.K.; Kobayashi, Y.; Yamada, Y.; Nemoto, Y.; Saito, T.; Sakai, Y.; Shoji, H.; Yonezawa, C.; Matsue, H.; Nakada, M.

    2005-04-26

    An in-beam 57Fe Moessbauer spectroscopy system using a parallel plate avalanche counter has been developed for characterizing chemical species produced after neutron capture reactions. The high signal-to-background ratio of the detector enabled us to obtain the first spectrum of semiconductor iron disulfide. A new chemical species of iron, different from the parent compound, arising from the nuclear reaction was clearly observed.

  12. Mössbauer study of ^{57}Fe-doped La{2-x}SrxCuO4 : local magnetic properties in the semiconducting, superconducting and normal metallic regions of the phase diagram

    NASA Astrophysics Data System (ADS)

    Imbert, P.; Jéhanno, G.; Debray, P.; Garcin, C.; Hodges, J. A.

    1992-07-01

    From Mössbauer and resistivity measurements on ^57Fe-doped La{2-x}SrxCuO4, we have explored the phase diagram of the series for 0leq x leq 0.30 and 1.5 K leq T leq 295 K and we have studied the local magnetic properties in the semiconducting, superconducting, and normal metallic phases. The most outstanding result concerns the coexistence over part (0.06 lesssim x lesssim 0.16) of the total (0.06 lesssim x lesssim 0.25) superconducting range of two different fractions showing different local behaviours. The first fraction corresponds to intrinsic spin-freezing, below sim 8 K, in the Cu sublattice. The relative sample volume of this fraction which is attributed to semiconducting domains decreases as x increases. In the second fraction which is presumably superconducting, there is no evidence of intrinsic Cu moments, however iron induced local magnetic order is present. In the semiconducting fraction the Cu magnetic moments remain essentially parallel to the basal plane, while in the superconducting fraction the iron-induced local magnetization moves towards the c axis as x increases. We have performed accurate ^{57}Fe hyperfine measurements in an argon annealed quasi-stoichiometric La2CuO4 sample and we have observed an abrupt variation of the magnetization near the Néel temperature. In an air annealed La2CuO{4+y} sample, we have evidenced the presence of oxygen interstitials and we have shown that the effective interlayer magnetic coupling is strongly reduced with respect to the y=0 sample. A partir de mesures de spectrométrie Mössbauer et de résistivité, nous avons exploré le diagramme de phase de la série de composés La{2-x}SrxCuO4 dopés en ^{57}Fe et nous avons étudié les propriétés magnétiques locales dans les phases semiconductice, supraconductrice et métallique normale. Nous avons notamment observé la coexistence de deux fractions présentant un comportement local différent, dans une partie importante (0,06lesssim x lesssim 0,16) de la zone

  13. Moessbauer spectroscopy of the SNC meteorite Zagami

    NASA Technical Reports Server (NTRS)

    Agerkvist, D. P.; Vistisen, L.

    1993-01-01

    We have performed Mossbauer spectroscopy on two different pieces of the meteorite Zagami belonging to the group of SNC meteorites. In one of the samples we found a substantial amount of olivine inter grown with one kind of pyroxene, and also another kind of pyroxene very similar to the pyroxene in the other sample we examined. Both samples showed less than 1 percent of Fe(3+) in the silicate phase. The group of SNC meteorites called shergottites, to which Zagami belongs, are achondrites whose texture, mineralogy and composition resembles those of terrestrial diabases. The results from the investigation are presented.

  14. Structural, magnetic and Mossbauer studies of TI doped Gd2Fe17-xTix and Gd2Fe16Ga1-xTix (0≤x≤1)

    NASA Astrophysics Data System (ADS)

    Pokharel, G.; Syed Ali, K. S.; Mishra, S. R.

    2015-05-01

    Magnetic compounds of the type Gd2Fe17-xTix and Gd2Fe16Ga1-xTix (x=0.0-1.0) were prepared by arc melting and their structural and magnetic properties were studied by X-ray diffraction (XRD), magnetometery and Mossbauer spectroscopy. The Rietveld analysis of X-ray data shows that these α-Fe free solid-solutions crystallize with Th2Ni17-type structure as main phase along with GdFe2 and TiFe2 as additional phases at higher, x≥0.5 contents. The unit cell volume expands with Ga and Ti content. The Rietveld analysis indicate that both Ti and Ga atoms prefer 12j and 12k sites in both compounds. The effect of Ti and co-substituted Ga-Ti on the bond length are quite different. The saturation magnetization Ms, at 300 K for Gd2Fe17-xTix and Gd2Fe16Ga1-xTix was found to decrease linearly with increasing Ti content. The Ms in both compounds at x=1 reduced by 9% as compared to their parent compounds at x=0. The Curie temperature, Tc, for Gd2Fe17-xTix increased from 513 K (x=0) to 544 K (x=1) while Tc for Gd2Fe16Ga1-xTix reduced from 560 (x=0) to 544 K (x=1) with increase in Ti content. Thus the observed variation in Tc follows Gd2Fe17Mossbauer results indicate decrease in hyperfine fields and increase in the isomer shifts with the increase in Ti content. Overall co-substituted Ga-Ti, Gd2Fe16Ga1-xTix show high Tc with marginal decline in saturation magnetization. Thus α-Fe free Gd2Fe16Ga1-xTix compounds can be potential candidate for high temperature permanent magnet industrial applications.

  15. Very high pressure Moessbauer spectroscopy using diamond anvil cells

    SciTech Connect

    Pasternak, M.P.; Taylor, R.D.

    1988-01-01

    The technique of generating very high pressure by means of Diamond Anvil Cells (DAC) for Mossbauer Effect applications is outlined. A comprehensive description is presented of the principles of DAC, modification for the use in M/umlt o/ssbauer Spectroscopy (MS), the Merrill--Bassett and Bassett cells, of pressure measurements, of gasketing and collimation, and of hydrostatic media. Examples of /sup 151/Eu, /sup 119/Sn and /sup 129/I are given showing the feasibility of DAC applications in MS. Other isotopes with potential use for high pressure MS using DAC are suggested. 27 refs., 9 figs.

  16. Comparison of the magnetic properties and Mossbauer analysis of glass from the Cretaceous-Tertiary boundary, Beloc, Haiti, with tektites

    NASA Technical Reports Server (NTRS)

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

    1994-01-01

    The magnetic properties of black Beloc glass have been measured. The Curie constant, the magnetization, and the magnetic susceptibility of the Beloc glass fall within the known ranges observed for tektites. However, the temperature-independent component of the magnetic susceptibility is slightly higher than that found for tektites. Moreover, it is not possible to match the experimental magnetic data for the Beloc glass with the calculated values using the previously reported Fe(3+)/Fe(2+) ratio of 0.7. The oxidation state of Fe was therefore redetermined by Mossbauer measurements, and the Fe(3+)/Fe(2+) ratio was found to be 0.024 plus or minus 0.015. Using the redetermined value of the ratio, the magnetic parameters were again calculated using formulas that are applicable to tektites, and good agreement was found between the calculated and experimental values. The experimental magnetic measurements and the redetermined Fe(3+)/Fe(2+) ratio of the Beloc glass specimens are essentially the same as those found for tektite glass.

  17. Investigation of the Competition between Structural and Ferromagnetic Transitions in GdRu2 using the Mossbauer Effect

    NASA Astrophysics Data System (ADS)

    Coffey, Dermot; Demarco, Michael; Heary, Ryan; Ho, Pei-Chun; Sayles, Todd; Maple, M. Brian; Toorongian, Steve; Haka, Michael

    2006-03-01

    We use the ^99Ru Mossbauer Effect(ME) to investigate magnetism in the Laves phase Ce1-xGdxRu2 series. This series of compounds is superconducting for small x and has been thought to be ferromagnetic for large x on the basis of extrapolations of Curie-Weiss fits to the χ(T) data. We have studied the temperature dependence of the ME spectra for a number of these compounds and found no evidence of a hyperfine magnetic field due to ferromagnetic order. In GdRu2, a Curie-Weiss fit to the χ(T) data above 120K yields a Curie-Weiss temperature of 93K. However, at ˜120K, &-1circ; deviates from a straight line fit. The ME spectra show that there is a qualitative change in the environment of the Ru nucleus in this temperature re gion pointing to a structural phase transition. Below this transition the width of the ME spectrum grows with decreasing temperature by 50% between 100K and 4.2K. We analyze this temperature dependence in terms of a slowing down of the fluctuations of the local field due to Gd moments.

  18. Local Structure of As_xGe_xSe_1-2x glasses and ^119 Sn Mossbauer

    NASA Astrophysics Data System (ADS)

    Wang, Y.; Karki, B.; Qu, T.; Boolchand, P.

    2001-03-01

    The T_g(r) variation in the titled ternary shows a monotonic increase with r (= 2 + 3x, mean coordination number) , although in the Ge_xSe_1-x binary one observes a maximum^1 in T_g(r) near r = 2.67, i.e. at GeSe_2. We have now doped traces of _119Sn and examined Mossbauer spectra of the ternary glasses, and find evidence of a tetrahedral (A) site at low r (= 2.30) , and in addition a non-tetrahedral site (B) at high r (=2.68), as also found^1 in the Ge-Se binary .At r = 2.68, we observe a non-tetrahedral Sn- fraction I_B/(IA + I_B) = 0.56(1) at 4.2K, and = 0.51(1) at 78K, suggesting the near equivalence of the f-factors (fA = fB ) of these sites in the ternary. The result is in contrast to the widely different f-factors measured 1 for the A and B sites in GeSe2 glass. Taken together, one concludes that the Ge-Ge signatures (B-sites) form a part of the backbone in the ternary but are excluded from the backbone in the binary glass. This feature of local structure apparently provides an element of difference to understand the contrasting T_g(r) trends in the binary and ternary glasses. 1. P.Boolchand and W.J.Bresser Phil. Mag. B 80,1757(2000). Supported by NSF grant DMR 97-02189

  19. Mossbauer Studies of GdFe2-xHfx Alloys

    NASA Astrophysics Data System (ADS)

    Al-Omari, Imaddin A.; Gismelseed, A.; Rais, A.; Al-Rawas, A.; Elzain, M.; Yousif, A.

    2004-03-01

    GdFe_2-xHfx Alloys,where x=0, 0.05, 0.1, 0.15, 0.2, and 0.3, were prepared by arc-melting of pure elements of Gd, Fe, and Hf. The samples were investigated by x-ray diffraction and Fe^57 Mössbauer spectroscopy. We find that the alloy system GdFe_2-xHfx have the cubic Cu_2Mg type structure. Mössbauer spectroscopic results show that all the samples studied are magnetically ordered at 78 K, and at room temperature. The spectra fitted with two magnetic components, which is consistent with the two magnetic sites in Rfe_2. The average magnetic hyperfine field is found to decrease with increasing the Hf concentration at 78 K and 300 K due to the replacement of Fe by nonmagnetic Hf. The above results indicate that Hf dissolves in the cubic lattice in this system resulting in the decrease of the hyperfine field with increasing the Hf concentration.

  20. Carrier mobility of iron oxide nanoparticles supported on ferroelectrics studied by Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Okamoto, T.; Kano, J.; Nakamura, S.; Fuwa, A.; Otoyama, T.; Nakazaki, Y.; Hashimoto, H.; Takada, J.; Ito, M.; Ikeda, N.

    2013-04-01

    57Fe Mössbauer spectroscopy was performed on two types of Fe oxide nanoparticles supported on a typical ferroelectric, BaTiO3. It was found that the valence state of FeO nanoparticles changed to a mixed 2+/3+ state at high temperature where BaTiO3 shows paraelectric behaviour. We attribute this phenomenon to the fluctuation of electric dipoles which realizes carrier injection into the Fe oxides. This is the first report which discusses a dynamical valence state of transition metal oxides supported on ferroelectrics.

  1. Application of 57Co emission Mössbauer spectroscopy to studying biocomplexes in frozen solutions

    NASA Astrophysics Data System (ADS)

    Kamnev, A. A.; Kulikov, L. A.; Perfiliev, Yu. D.; Antonyuk, L. P.; Kuzmann, E.; Vértes, A.

    2005-09-01

    Emission Mössbauer spectroscopy with the 57Co isotope was used to study very dilute rapidly frozen aqueous solutions of cobalt(II) complexes with low-molecular-weight biomolecules (aromatic amino acids anthranilic acid and L-tryptophan) and within a sophisticated biopolymer, bacterial glutamine synthetase, a key enzyme of nitrogen metabolism. The appearance of after-effects of the 57Co→57Fe nuclear transformation as well as the coordination properties of the cation and the ligands in the complexes are discussed on the basis of their Mössbauer parameters.

  2. Mossbauer study of iron-containing atmospheric aerosol in relation to the air pollution.

    NASA Astrophysics Data System (ADS)

    Kopcewicz, B.; Kopcewicz, M.

    2003-04-01

    Observation and monitoring of the aerosol background in the troposphere is very important for atmospheric physics. It is the first step in studying antropogenic components and their impact on the climate. Iron (both Fe(II) and Fe(III)) plays an important role in the multiphase atmospheric chemistry of S(IV) as a catalyst as well as an oxidant, and a photolytic source of OH radical. In order to assess the extent in which the iron content in the troposphere may change and to which extent that change may be attributed to human activity, it is necessary to have a complete picture of the distribution of iron concentration and its variation. For these purposes the Mössbauer spectroscopy was applied to analyze the iron compounds present in atmospheric aerosol. In this presentation we show results of measurements performed on the atmospheric aerosol collected in Poznan and Lodz (industrial cites in central Poland), Mikolajki (lake district, North-East Poland) and Kasprowy Wierch (mountain observatory, 1985 m a.s.l.). Depending to the sampling period and sampling site the significant changes in the iron concentration and chemical properties of the collected aerosol were observed. As a significant part of air pollution, especially in winter months, iron appeared in the form of iron sulfides, which were products of coal combustion. Also, iron oxyhydroxides and iron oxides, mostly hematite (bulk) and in the form of ultra fine particles in superparamagnetic state were observed. Results obtained from Mössbauer measurements were discussed in relation to the concentration of general air pollution.

  3. Diffusion studies with synchrotron Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Jackson, J. M.

    2011-12-01

    Knowledge of diffusion properties is critical for understanding many physical and chemical processes in planetary interiors. For example, diffusion behavior provides constraints on chemical exchange and viscosity. Nuclear resonances open the window for observing diffusion properties under the extreme conditions that exist deep inside the Earth. Synchrotron Mössbauer spectroscopy (viz. nuclear forward scattering) makes use of synchrotron radiation coherently scattered in the forward direction after nuclear resonant excitation. The decay of the forward-scattered radiation is faster when atoms move on the time scale of the excited-state lifetime because of a loss of coherence. Such diffusion-activated processes lead to accelerated decay and line broadening in the measured signal. In the case of the Mössbauer active isotope 57Fe, the nuclear resonance at 14.4 keV has a natural lifetime of 141 ns. Therefore, one can observe diffusion events ranging from approximately one-sixth to 100 times the natural lifetime of 57Fe, which corresponds to diffusion coefficients of 10-16 and 10-13 m2/s, respectively and a two to three order of magnitude range of suitability. In this contribution, we will describe such measurements that access the microscopic details of the diffusion process for iron-bearing phases.

  4. Application of Mössbauer Spectroscopy in Earth Sciences

    NASA Astrophysics Data System (ADS)

    Vandenberghe, Robert E.; De Grave, Eddy

    Iron being the fourth most abundant element in the earth crust, 57Fe Mössbauer spectroscopy has become a suitable additional technique for the characterization of all kind of soil materials and minerals. However, for that purpose a good knowledge of the spectral behavior of the various minerals is indispensable. In this chapter a review of the most important soil materials and rock-forming minerals is presented. It starts with a description of the Mössbauer spectroscopic features of the iron oxides and hydroxides, which are essentially present in soils and sediments. Further, the Mössbauer spectra from sulfides, sulfates and carbonates are briefly considered. Finally, the Mössbauer features of the typical and most common silicate and phosphate minerals are reported. The chapter ends with some typical examples, illustrating the use and power of Mössbauer spectroscopy in the characterization of minerals.

  5. Weathering of Basaltic Rocks from the Gusev Plains up into the Columbia Hills from the Perspective of the MER Mossbauer Spectrometer

    NASA Technical Reports Server (NTRS)

    Schroeder, C.; Klingelhoefer, G.; Morris, R. V.; Rodionov, D. S.; deSouza, P. A.; Ming, D. W.; Yen, A. S.; Gellert, R.; Bell, J. F., III

    2005-01-01

    Rocks on the ejecta blanket of Bonneville crater and along Spirit s traverse over the Gusev plains towards the Columbia Hills are angular and strewn across the surface. They have a basaltic composition [1,2], and their Mossbauer spectra are dominated by an olivine doublet [1]. The ubiquitous presence of abundant olivine in rocks and in surrounding soil suggests that physical rather than chemical weathering processes currently dominate the plains at Gusev crater [1]. However, MB spectra of rocks and outcrops in the Columbia Hills suggest more aggressive alteration processes have occurred. Ascending into the hills, Spirit encountered outcrop and rocks exhibiting layered structures. Some scattered rocks at the foot of the Columbia Hills appeared "rotten" or highly altered by physical and/or chemical processes (fig. 1). Mossbauer spectra of those rocks show a decrease in olivine accompanied by an increase in the Fe-oxides magnetite, hematite, and nanophase Fe3+ -oxides (fig. 2), suggesting that chemical weathering processes in the presence of water have altered these rocks and outcrops.

  6. 57Fe Moessbauer Study of Localization and Valence Sate of Iron Ions in Granular Nanocomposites (FeCoZr)x(Al2O3)100-x for Spintronic Applications

    SciTech Connect

    Saad, Anis; Fedotova, Julia; Kalinin, Jurii; Sitnikov, Alexander; Fedotov, Alexander; Rudov, Denis

    2005-04-26

    The influence of composition of the composite films, containing distributed fragmented components of amorphous metallic alloy CoFeZr and amorphous alumina with particles dimensions of 6-10 nm, on the Moessbauer spectra and hyperfine parameters was investigated. Moessbauer spectroscopy of the (Co0.45Fe0.45Zr0.10)X(Al2O3)1-X studied films with 30 at. % < X < 65 at. % has revealed that the structure of Fe ions coexisted in two valence states -- Fe2+ and Fe3+, the pronounced tendency for increasing Fe3+ fraction with the X increment, disappearance of the singlet connected with the Fe -- containing nanoparticles for the samples with X > 55 %, and lack of the ferromagnetic state in the metallic nanoparticles.

  7. Crystal-structure and Mossbauer studies of Li{sub 1.746}Nd{sub 4.494}FeO{sub 9.493}

    SciTech Connect

    Drofenik, Miha Ban, Irena; Makovec, Darko; Hanzel, Darko; Golobic, Amalija; Golic, Ljubo

    2007-01-15

    The Li{sub 1.746}Nd{sub 4.494}FeO{sub 9.493} (LNF) ternary phase, located in the Li{sub 2}O-rich part of the Li{sub 2}O-Nd{sub 2}O{sub 3}-Fe{sub 2}O{sub 3} system, crystallizes with a cubic unit cell of dimension a=11.9763(3)A and the space group Im3m. Refinement on F resulted in R=1.9%. The structure is comprised of a network of corners, edges and faces sharing the coordination polyhedra of neodymium. In between this skeleton the regular octahedra of oxygen-coordinated iron and trigonal prisms of lithium are located. The Mossbauer spectra revealed the presence of Fe{sup 3+}, Fe{sup 4+} and Fe{sup 5+} ions distributed on two symmetry-independent lattice positions.

  8. Energy calibration issues in nuclear resonant vibrational spectroscopy: observing small spectral shifts and making fast calibrations.

    PubMed

    Wang, Hongxin; Yoda, Yoshitaka; Dong, Weibing; Huang, Songping D

    2013-09-01

    The conventional energy calibration for nuclear resonant vibrational spectroscopy (NRVS) is usually long. Meanwhile, taking NRVS samples out of the cryostat increases the chance of sample damage, which makes it impossible to carry out an energy calibration during one NRVS measurement. In this study, by manipulating the 14.4 keV beam through the main measurement chamber without moving out the NRVS sample, two alternative calibration procedures have been proposed and established: (i) an in situ calibration procedure, which measures the main NRVS sample at stage A and the calibration sample at stage B simultaneously, and calibrates the energies for observing extremely small spectral shifts; for example, the 0.3 meV energy shift between the 100%-(57)Fe-enriched [Fe4S4Cl4](=) and 10%-(57)Fe and 90%-(54)Fe labeled [Fe4S4Cl4](=) has been well resolved; (ii) a quick-switching energy calibration procedure, which reduces each calibration time from 3-4 h to about 30 min. Although the quick-switching calibration is not in situ, it is suitable for normal NRVS measurements.

  9. Nuclear resonance vibrational spectroscopy (NRVS) of rubredoxin and MoFe protein crystals

    PubMed Central

    Guo, Yisong; Brecht, Eric; Aznavour, Kristen; Nix, Jay C.; Xiao, Yuming; Wang, Hongxin; George, Simon J.; Bau, Robert; Keable, Stephen; Peters, John W.; Adams, Michael W.W.; Jenney, Francis; Sturhahn, Wolfgang; Alp, Ercan E.; Zhao, Jiyong; Yoda, Yoshitaka; Cramer, Stephen P.

    2014-01-01

    We have applied 57Fe nuclear resonance vibrational spectroscopy (NRVS) for the first time to study the dynamics of Fe centers in Fe-S protein crystals, including oxidized wild type rubredoxin crystals from Pyrococcus furiosus, and the MoFe protein of nitrogenase from Azotobacter vinelandii. Thanks to the NRVS selection rule, selectively probed vibrational modes have been observed in both oriented rubredoxin and MoFe protein crystals. The NRVS work was complemented by extended X-ray absorption fine structure spectroscopy (EXAFS) measurements on oxidized wild type rubredoxin crystals from Pyrococcus furiosus. The EXAFS spectra revealed the Fe-S bond length difference in oxidized Pf Rd protein, which is qualitatively consistent with the X-ray crystal structure. PMID:26052177

  10. Nuclear resonance vibrational spectroscopy (NRVS) of rubredoxin and MoFe protein crystals

    NASA Astrophysics Data System (ADS)

    Guo, Yisong; Brecht, Eric; Aznavour, Kristen; Nix, Jay C.; Xiao, Yuming; Wang, Hongxin; George, Simon J.; Bau, Robert; Keable, Stephen; Peters, John W.; Adams, Michael W. W.; , Francis E. Jenney, Jr.; Sturhahn, Wolfgang; Alp, Ercan E.; Zhao, Jiyong; Yoda, Yoshitaka; Cramer, Stephen P.

    2013-12-01

    We have applied 57Fe nuclear resonance vibrational spectroscopy (NRVS) for the first time to study the dynamics of Fe centers in Iron-sulfur protein crystals, including oxidized wild type rubredoxin crystals from Pyrococcus furiosus, and the MoFe protein of nitrogenase from Azotobacter vinelandii. Thanks to the NRVS selection rule, selectively probed vibrational modes have been observed in both oriented rubredoxin and MoFe protein crystals. The NRVS work was complemented by extended X-ray absorption fine structure spectroscopy (EXAFS) measurements on oxidized wild type rubredoxin crystals from Pyrococcus furiosus. The EXAFS spectra revealed the Fe-S bond length difference in oxidized Pf Rd protein, which is qualitatively consistent with the crystal structure.

  11. Atomic-Scale Structure of the Tin DX Center and Other Related Defects in Aluminum Gallium Arsenide Semiconductors Using Moessbauer Spectroscopy.

    NASA Astrophysics Data System (ADS)

    Greco, Luigi Alessandro

    The DX center in III-V alloys has limited the use of these materials for electronic devices since the defect acts as an electron trap. To be able to control or eliminate the DX center, its atomic scale structure should be understood. Mossbauer spectroscopy has proven to be a valuable technique in probing the atomic-scale structure of certain atomic species. The dopant studied here is ^{119}Sn. The thermal diffusion of Sn in Al_ {rm x}Ga_{rm 1-x }As using different temperatures, times, sample geometries and As_4 overpressures in evacuated and sealed fused silica ampoules was studied by x-ray diffraction (XRD), secondary ion mass spectroscopy and electrochemical capacitance versus voltage measurements. The AlGaAs surfaces decomposed into various Sn, Si, Ga and As oxides when an As_4 overpressure was introduced during annealing. However, annealing under ambient As_4 and furnace cooling eliminated surface decomposition although the Sn diffusion depth was less than that for a 0.5 atm As_4 overpressure. SiO_{rm x} and Si_{rm x }N_{rm y} RF-sputtered thin film capping layers deposited on AlGaAs were studied by XRD and Auger electron spectroscopy. For the annealed SiO_{rm x} films the AlGaAs surface was preserved, independent of the cooling technique used. Mossbauer spectroscopy was conducted on ^{rm 119m} Sn-implanted Al_ {rm x } Ga_{rm 1-x} As (x = 0.22 and 0.25) used for the source experiments and ^{119}Sn-doped Al _{rm x}Ga _{rm 1-x}As (x = 0.15, N _{rm Sn} ~2 times 10 ^{18} cm^{ -3}) for the absorber experiment. The source samples were capped with 120 nm of SiO_ {rm x} to preserve the surface during the systematic study of annealing temperature versus site occupation and electrical activation via Mossbauer spectroscopy at 76 K and 4 K in the dark and in the light (to observe persistent photoconductivity (PPC) due to the DX center). For all of the annealing conditions used the x = 0.22 sample showed little evidence of PPC possibly due to compensating defects and

  12. Surface analysis of mixed-conducting ferrite membranes by the conversion-electron Moessbauer spectroscopy

    SciTech Connect

    Waerenborgh, J.C.; Tsipis, E.V.; Yaremchenko, A.A.; Kharton, V.V.

    2011-09-15

    Conversion-electron Moessbauer spectroscopy analysis of iron surface states in the dense ceramic membranes made of {sup 57}Fe-enriched SrFe{sub 0.7}Al{sub 0.3}O{sub 3-{delta}} perovskite, shows no traces of reductive decomposition or carbide formation in the interfacial layers after operation under air/CH{sub 4} gradient at 1173 K, within the limits of experimental uncertainty. The predominant trivalent state of iron cations at the membrane permeate-side surface exposed to flowing dry methane provides evidence of the kinetic stabilization mechanism, which is only possible due to slow oxygen-exchange kinetics and enables long-term operation of the ferrite-based ceramic reactors for natural gas conversion. At the membrane feed-side surface exposed to air, the fractions of Fe{sup 4+} and Fe{sup 3+} are close to those in the powder equilibrated at atmospheric oxygen pressure, suggesting that the exchange limitations to oxygen transport are essentially localized at the partially reduced surface. - Graphical Abstract: Conversion-electron Moessbauer spectroscopy analysis of dense ceramic membranes made of {sup 57}Fe-enriched SrFe{sub 0.7}Al{sub 0.3}O{sub 3-{delta}} perovskite, shows no reductive decomposition in thin interfacial layers after testing under air/CH{sub 4} gradient, enabling stable operation of the ferrite-based ceramic reactors for partial oxidation of methane. Highlights: > Conversion-electron Moessbauer spectroscopy is used for mixed-conducting membranes. > No decomposition is detected in the membrane surface layers under air/CH{sub 4} gradient. > Due to kinetic stabilization, Fe{sup 3+} states prevail at the surface exposed to methane. > Transmission Moessbauer spectra show perovskite decomposition on equlibration in CH{sub 4}. > Ferrite-based ceramic reactors can stably operate under air/CH{sub 4} gradient.

  13. An analytical scheme for determining forms of sulphur in oil shales and associated rocks

    USGS Publications Warehouse

    Tuttle, M.L.; Goldhaber, M.B.; Williamson, D.L.

    1986-01-01

    An analytical scheme for determining various forms of sulphur in oil shales and associated rocks is presented. Acid-soluble sulphate, sulphur contained in monosulphide and in disulphide minerals, and organically-bound sulphur are all quantitatively recovered as separate fractions. Finely-ground oil-shale samples are treated in an inert atmosphere with 6M hydrochloric acid to dissolve the acid-soluble sulphate minerals and form H2S from the decomposition of monosulphide minerals. The acid-soluble sulphate is precipitated as barium sulphate and the H2S is collected and weighed as silver sulphide. Disulphide minerals in the solid residue from the acid treatment are reduced by an acidified Cr(II) solution in an inert atmosphere, releasing the sulphide as H2S. The H2S is collected as silver sulphide. An Eschka fusion oxidizes and solubilizes all sulphur remaining within the Cr(II)-treated residue. This sulphate represents organically-bound sulphur and is collected as barium sulphate. The analytical procedures have been verified by using 57Fe Mo??ssbauer spectroscopy. Good agreement between the chemical and Mo??ssbauer data substantiated the sequential removal of the forms of sulphur and also demonstrated the ability of Mo??ssbauer spectroscopy to determine the absolute quantities of iron present in specific minerals. ?? 1986.

  14. Reflectance spectroscopy of ferric sulfate-bearing montmorillonites as Mars soil analog materials

    NASA Technical Reports Server (NTRS)

    Bishop, J. L.; Pieters, C. M.; Burns, R. G.; Edwards, J. O.; Mancinelli, R. L.; Froschl, H.

    1995-01-01

    Spectroscopic analyses have shown that smectites enhanced in the laboratory with additional ferric species exhibit important similarities to those of the soils on Mars. Ferrihydrite in these chemically treated smectites has features in the visible to near-infrared region that resemble the energies and band strengths of features in reflectance spectra observed for several bright regions on Mars. New samples have been prepared with sulfate as well, because S was found by Viking to be a major component in the surface material on Mars. A suite of ferrihydrite-bearing and ferric sulfate-bearing montmorillonites, prepared with variable Fe3+ and S concentrations and variable pH conditions, has been analyzed using reflectance spectroscopy in the visible and infrared regions, Mossbauer spectroscopy at room temperature and 4 K, differential thermal analysis, and X-ray diffraction. These analyses support the formation of ferrihydrite of variable crystallinity in the ferrihydrite-bearing montmorillonites and a combination of schwertmannite and ferrihydrite in the ferric sulfate-bearing montmorillonites. Small quantities of poorly crystalline or nanophase forms of other ferric materials may also be present in these samples. The chemical formation conditions of the ferrihydrite-bearing and ferric sulfate-bearing montmorillonites influence the character of the low temperature Mossbauer sextets and the visible reflectance spectra. An absorption minimum is observed at 0.88-0.89 micrometers in spectra of the ferric sulfate-bearing samples, and at 0.89-0.92 micrometers in spectra of the ferrihydrate-bearing montmorillonites. Mossbauer spectra of the ferric sulfate-bearing montmorillonites indicate variable concentrations of ferrihydrite and schwertmannite in the interlaminar spaces and along grain surfaces. Dehydration under reduced atmospheric pressure conditions induces a greater effect on the adsorbed and interlayer water in ferrihydrite-bearing montmorillonite than on the water

  15. EY-EXAFS and Mössbauer spectroscopy of the Au/Si interface

    NASA Astrophysics Data System (ADS)

    Sawicki, J. A.; Hitchcock, A. P.; Tyliszcak, T.

    1989-06-01

    The Au-Si interface [1] plays a significant role in high speed VLSI electronic devices. However, the structure of this interface and particularly the formation and properties of gold silicides are not yet well established. In this work thin (3-50 μm/cm2) gold layers deposited on or implanted in (at doses from 1015 up to 7×1016/cm2) Si(111) single crytals, as well as gold diffused into Si through thermal or laser annealing, have been studied by Au L3 EXAFS with electron-yield detection (EY-EXAFS), and by conversion electron Mossbauer spectroscopy (CEMS) of the 77.3 γ-rays in 197Au. EY-EXAFS and CEMS probe local structure in a complementary fashion with depth sensitivities which are similar to the depth of diffused and ion implanted interfaces. Thus the combination of these tecniques is particularly useful for studies of implanted and deposited thin films.

  16. Structural reinvestigation of Li3FeN2: Evidence of cationic disorder through XRD, solid-state NMR and Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Panabière, E.; Emery, N.; Lorthioir, C.; Sougrati, M. T.; Jumas, J.-C.; Bach, S.; Pereira-Ramos, J.-P.; Smith, R. I.; Willmann, P.

    2016-08-01

    A significant cationic disorder is evidenced on Li3FeN2 prepared through solid-state reaction under controlled atmosphere. This derivative anti fluorite type structure (orthorhombic, space group Ibam, a=4.870(1) Å, b=9.652(1) Å and c=4.789(1) Å), solved first through single crystal X-ray diffraction [7], is usually described by Li+ and Fe+3 ordered distribution in tetrahedral sites formed by the nitrogen network, leading to [FeN4/2]3- edge-sharing tetrahedral chains. From 7Li/6Li Nuclear Magnetic Resonance spectroscopy, 57Fe Mössbauer spectroscopy and powder X-ray and neutron diffraction, we demonstrate that about 4% of lithium sites are filled by iron and about 11% of iron sites are occupied by Li, which can explain the discrepancy within the Gudat's model observed on larger scale solid-state synthesis samples.

  17. Quarkonium spectroscopy

    SciTech Connect

    Scharre, D.L.

    1981-06-01

    Recent experimental investigations of heavy quark-antiquark bound state systems are reviewed. Results from SPEAR on charmonium spectroscopy and from DORIS and CESR on bottomonium spectroscopy are presented. The current status of the search for top is also discussed.

  18. Raman Spectroscopy.

    ERIC Educational Resources Information Center

    Gerrard, Donald L.

    1984-01-01

    Reviews literature on Raman spectroscopy from late 1981 to late 1983. Topic areas include: instrumentation and sampling; liquids and solutions; gases and matrix isolation; biological molecules; polymers; high-temperature and high-pressure studies; Raman microscopy; thin films and surfaces; resonance-enhanced and surface-enhanced spectroscopy; and…

  19. The 2010 ILSO-ISRU Field Test at Mauna Kea, Hawaii: Results from the Miniaturised Mossbauer Spectrometers Mimos II and Mimos IIA

    NASA Technical Reports Server (NTRS)

    Klingelhoefer, G.; Morris, R. V.; Blumers, M.; Bernhardt, B.; Graff, T.

    2011-01-01

    For the advanced Moessbauer instrument MIMOS IIA, the new detector technologies and electronic components increase sensitivity and performance significantly. In combination with the high energy resolution of the SDD it is possible to perform X-ray fluorescence analysis simultaneously to Moessbauer spectroscopy. In addition to the Fe-mineralogy, information on the sample's elemental composition will be gathered. The ISRU 2010 field campaign demonstrated that in-situ Moessbauer spectroscopy is an effective tool for both science and feedstock exploration and process monitoring. Engineering tests showed that a compact nickel metal hydride battery provided sufficient power for over 12 hr of continuous operation for the MIMOS instruments.

  20. Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Wehling, Randy L.

    Infrared (IR) spectroscopy refers to measurement of the absorption of different frequencies of IR radiation by foods or other solids, liquids, or gases. IR spectroscopy began in 1800 with an experiment by Herschel. When he used a prism to create a spectrum from white light and placed a thermometer at a point just beyond the red region of the spectrum, he noted an increase in temperature. This was the first observation of the effects of IR radiation. By the 1940s, IR spectroscopy had become an important tool used by chemists to identify functional groups in organic compounds. In the 1970s, commercial near-IR reflectance instruments were introduced that provided rapid quantitative determinations of moisture, protein, and fat in cereal grains and other foods. Today, IR spectroscopy is used widely in the food industry for both qualitative and quantitative analysis of ingredients and finished foods.

  1. Sulfidation behavior of ZnFe2O4 roasted with pyrite: Sulfur inducing and sulfur-oxygen interface exchange mechanism

    NASA Astrophysics Data System (ADS)

    Min, Xiaobo; Zhou, Bosheng; Ke, Yong; Chai, Liyuan; Xue, Ke; Zhang, Chun; Zhao, Zongwen; Shen, Chen

    2016-05-01

    The sulfidation roasting behavior was analyzed in detail to reveal the reaction mechanism. Information about the sulfidation reaction, including phase transformation, ionic migration behavior and morphological change, were obtained by XRD, 57Fe Mossbauer spectroscopy, XPS and SEM analysis. The results showed that the sulfidation of zinc ferrite is a process of sulfur inducing and sulfur-oxygen interface exchange. This process can be divided into six stages: decomposition of FeS2, formation of the oxygen-deficient environment, migration of O2- induced by S2(g), formation of ZnFe2O4-δ, migration of Fe2+ accompanied by the precipitation of ZnO, and the sulfur-oxygen interface exchange reaction. The sulfidation products were zinc blende, wurtzite, magnetite and a fraction of zinc-bearing magnetite. These findings can provide theoretical support for controlling the process during which the recovery of Zn and Fe is achieved through the combined flotation-magnetic separation process.

  2. Biotransformation and metabolism of magnetic nanoparticles in an organism from Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Mischenko, I.; Chuev, M.

    2012-02-01

    Mössbauer spectroscopy is a powerful method for investigation structural, magnetic and thermodynamic properties of magnetic nanoparticles, in particular those delivered in a body. Multiform temperature- and field-dependent Mössbauer absorption spectra of fine particles provides the researcher with rich information about physical characteristics inherent to such particles staying in different environment. With that the 57Fe gamma-resonant spectroscopy is efficiently used to study spin states, electronic and dynamical properties of iron-containing proteins in a living organism. For quantitative estimates of characteristics of the magnetic nanoparticles it is required to define a model of the magnetic dynamics. We have developed such a model and performed consistent least-square fitting procedure for the set of temperature- and magnetic field-dependent spectra as well as magnetization curves of nanoparticles injected into mice. This allowed us to reliably evaluate changes in the nanoparticles characteristics and the chemical transformation of the iron to paramagnetic ferritin-like forms in mouse's organs as a function of time after injection of nanoparticles. In fact, the approach allows the researcher to quantitatively characterize biotransformation and metabolism of magnetic nanoparticles injected into a body.

  3. High-pressure Synchrotron Mössbauer Spectroscopy on Fe4O5

    NASA Astrophysics Data System (ADS)

    Kothapalli, K.; Kolodziej, T.; Alp, E.; Lavina, B.

    2012-12-01

    Iron oxides play a crucial role in the geophysical processes and are studied immensely not only to understand the dynamics of the earth's core but also for the enormous potential they hold for technological applications. The study of electronic and magnetic properties of iron oxides under high pressure is essential to enhance our knowledge of these materials and the geophysical phenomena they are involved in. Here, we report the results of Synchrotron Mössbauer Spectroscopy (SMS) in the forward scattering geometry to determine the nuclear hyperfine field parameters of Fe-ions in the recently discovered iron oxide - Fe4O5. Fe4O5 - synthesized at high pressure and temperature - is stable in the pressure range 5 - 30 GPa and is recoverable in ambient conditions1. Fe4O5 crystallizes in the orthorhombic Cmcm structure and the Fe atoms occupy three non-equivalent sites at 4a, 8f and 4c Wyckoff positions. 57Fe SMS spectra were collected at several different pressures in the range 0 - 33GPa. The SMS spectra were fitted using two sites for pressures upto 18GPa and a single site above 18GPa. The magnetic properties and electronic environment of the iron sites deduced from the refined hyperfine parameters as a function of pressure will be discussed and compared with the results of standard Mössbauer spectroscopy. 1 Lavina B et al, Proceedings of the National Academy of Sciences (PNAS), 108, 17281-171285.

  4. Modern Spectroscopy

    ERIC Educational Resources Information Center

    Barrow, Gordon M.

    1970-01-01

    Presents the basic ideas of modern spectroscopy. Both the angular momenta and wave-nature approaches to the determination of energy level patterns for atomic and molecular systems are discussed. The interpretation of spectra, based on atomic and molecular models, is considered. (LC)

  5. Space spectroscopy

    SciTech Connect

    Krupa, Tyler J.

    2000-02-01

    Los Alamos researchers have developed a technique to determine the composition of rock samples despite weather-induced mineral varnish deposited on the rocks. Using laser-induced breakdown spectroscopy (LIBS), the researchers determined the true elemental composition of a Mojave Desert rock sample with a thick weather-induced deposit on it. (AIP) (c)

  6. Crystal structure and magnetic properties of Bi{sub 0.8}A{sub 0.2}FeO{sub 3} (A = La, Ca, Sr, Ba) multiferroics using neutron diffraction and Mossbauer spectroscopy

    SciTech Connect

    Rangi, Manisha; Agarwal, Ashish Sanghi, Sujata; Singh, Ripandeep; Meena, S. S.; Das, A.

    2014-08-15

    Bi{sub 0.8}A{sub 0.2}FeO{sub 3} (A = La, Ca, Sr, Ba) multiferroics were studied using x-ray, neutron diffraction and magnetization techniques. All the samples crystallized in rhombohedral structure with space group R3c. The compounds exhibit antiferromagnetic (AFM) ordering at 300 K and no evidence of further structural or magnetic transition was observed on lowering of temperature below it. The magnetic structure of these substituted compounds are found to be collinear G-type AFM structure as against the non collinear incommensurate magnetic structure reported in the case of parent compound. The moments on Fe at 6 K are aligned along the a-axis in the case of Ca-doped sample. With increase in the ionic radii of dopant, the moments are found to be aligned in the ac plane and the angle of tilt away from the a-axis increases. The observed change in the magnetic structure with substitution is attributed to the intrinsic structural distortion as evidenced by the change in the bond angle (Fe-O-Fe) and bond distances (Bi-O, Fe-O). It has been found that heterovalent substitution A{sup 2+} results in the formation of oxygen vacancies in the parent lattices as the possibility of Fe{sup 4+} ruled out by Mössbauer spectra recorded at room temperature. Higher value of remnant magnetization (0.4187 emu/g) and coercivity (4.7554kOe) is observed in Bi{sub 0.8}Ba{sub 0.2}FeO{sub 3} sample in comparison to other substituted samples revealing a strong correlation between ionic radii and magnetization.

  7. The ISRU Field Tests 2010 and 2012 at Mauna Kea, Hawaii: Results from the Miniaturised Mossbauer Spectrometers Mimos II and Mimos IIA

    NASA Technical Reports Server (NTRS)

    Klingelhoefer, G.; Morris, R. V.; Blumers, M; Bernhardt, B.; Graff, T.

    2014-01-01

    The 2010 and 2012 In-Situ Resource Utilization Analogue Test (ISRU) [1] on the Mauna Kea volcano in Hawai'i was coordinated by the Northern Centre for Advanced Technology (NORCAT) in collaboration with the Canadian Space Agency (CSA), the German Aerospace Center (DLR), and the National Aeronautics and Space Administration (NASA), through the PISCES program. Several instruments were tested as reference candidates for future analogue testing at the new field test site at the Mauna Kea volcano in Hawai'i. The fine-grained, volcanic nature of the material is a suitable lunar and martian analogue, and can be used to test excavation, site preparation, and resource utilization techniques. The 2010 location Pu'u Hiwahine, a cinder cone located below the summit of Mauna Kea (19deg45'39.29" N, 155deg28'14.56" W) at an elevation of 2800 m, provides a large number of slopes, rock avalanches, etc. to perform mobility tests, site preparation or resource prospecting. Besides hardware testing of technologies and systems related to resource identification, also in situ science measurements played a significant role in integration of ISRU and science instruments. For the advanced Mössbauer instrument MIMOS IIA, the new detector technologies and electronic components increase sensitivity and performance significantly. In combination with the high energy resolution of the SDD it is possible to perform Xray fluorescence analysis simultaneously to Mössbauer spectroscopy. In addition to the Fe-mineralogy, information on the sample's elemental composition will be gathered. The 2010 and 2012 field campaigns demonstrated that in-situ Mössbauer spectroscopy is an effective tool for both science and feedstock exploration and process monitoring. Engineering tests showed that a compact nickel metal hydride battery provided sufficient power for over 12 hr of continuous operation for the MIMOS instruments.

  8. Characterization of the Fe Site in Iron-Sulfur-Cluster-Free Hydrogenase (Hmd) and of a Model Compound via Nuclear Resonance Vibrational Spectroscopy (NRVS)

    PubMed Central

    Guo, Yisong; Wang, Hongxin; Xiao, Yuming; vogt, Sonja; Shima, Seigo; Volkers, Phillip I.; Pelmentschikov, Vladimir; Alp, Ercan E.; Sturhahn, Wolfgang; Yada, Yoshitaka

    2009-01-01

    We have used 57Fe nuclear resonance vibrational spectroscopy (NRVS) to study the iron site in the iron-sulfur-cluster-free hydrogenase Hmd from the methanogenic archaeon Methanothermobacter marburgensis. The spectra have been interpreted by comparison with a cis-(CO)2-ligated Fe model compound, Fe(S2C2H4)(CO)2(PMe3)2, as well as by normal mode simulations of plausible active site structures. For this model complex, normal mode analyses both from an optimized Urey-Bradley force field and from complementary density functional theory (DFT) calculations produced consistent results. Previous IR spectroscopic studies found strong CO stretching modes at 1944 and 2011 cm−1, interpreted as evidence for cis-Fe(CO)2 ligation. The NRVS data provide further insight into the dynamics of the Fe site, revealing Fe-CO stretch and Fe-CO bend modes at 494, 562, 590, and 648 cm−1, consistent with the proposed cis-Fe(CO)2 ligation. The NRVS also reveals a band assigned to Fe-S stretching motion at ~311 cm−1, and another reproducible feature at ~380 cm−1. The 57Fe partial vibrational densities of states (PVDOS) for Hmd can be reasonably well simulated by a normal mode analysis based on a Urey-Bradley force field for a 5-coordinate cis-(CO)2-ligated Fe site with additional cysteine, water, and pyridone cofactor ligands. A final interpretation of the Hmd NRVS data, including DFT analysis, awaits a 3-dimensional structure for the active site. PMID:18407624

  9. Dynamics of the [4Fe-4S] Cluster in Pyrococcus furiosus D14C Ferredoxin via Nuclear Resonance Vibrational and Resonance Raman Spectroscopies, Force Field Simulations, and Density Functional Theory Calculations

    PubMed Central

    Mitra, Devrani; Pelmenschikov, Vladimir; Guo, Yisong; Case, David A.; Wang, Hongxin; Dong, Weibing; Tan, Ming-Liang; Ichiye, Toshiko; Jenney, Francis E.; Adams, Michael W. W.; Yoda, Yoshitaka; Zhao, Jiyong; Cramer, Stephen P.

    2011-01-01

    We have used 57Fe nuclear resonance vibrational spectroscopy (NRVS) to study oxidized and reduced forms of the [4Fe-4S] cluster in the D14C variant ferredoxin from Pyrococcus furiosus (Pf D14C Fd). To assist the normal mode assignments, we recorded the NRVS of D14C ferredoxin samples with 36S substituted into the [4Fe-4S] cluster bridging sulfide positions, and a model compound without ligand side chains: (Ph4P)2[Fe4S4Cl4]. Several distinct regions of NRVS intensity are identified, ranging from `protein' and torsional modes below 100 cm−1, through bending and breathing modes near 150 cm−1, to strong bands from Fe-S stretching modes between 250 cm−1 and ~400 cm−1. The oxidized ferredoxin samples were also investigated by resonance Raman (RR) spectroscopy. We found good agreement between NRVS and RR frequencies, but because of different selection rules, the intensities vary dramatically between the two types of spectra. The 57Fe partial vibrational densities of states (PVDOS) for the oxidized samples were interpreted by normal mode analysis with optimization of Urey-Bradley force fields for local models of the [4Fe-4S] clusters. Full protein model calculations were also conducted using a supplemented CHARMM force field, and these calculations revealed low frequency modes that may be relevant to electron transfer with Pf Fd partners. Density functional theory (DFT) calculations complemented these empirical analyses, and DFT was used to estimate the reorganization energy associated with the [Fe4S4]2+/1+ redox cycle. Overall, the NRVS technique demonstrates great promise for the observation and quantitative interpretation of the dynamical properties of Fe-S proteins. PMID:21500788

  10. Hypernuclear spectroscopy

    SciTech Connect

    F. Garibaldi, O. Hashimoto, J.J. LeRose, P. Markowitz, S.N. Nakamura, J. Reinhold, L. Tang

    2011-06-01

    A program of hypernuclear spectroscopy experiments encompassing many hypernuclei has been undertaken in both Halls A and C using complimentary approaches. Spectra with sub-MeV resolution have been obtained for Li, B, and N in Hall A, while results from Hall C include He, B, and Al with new data still under analysis for He, Li, Be, B and V. High resolution and high precision in the determination of the single Λ binding energy at various shell levels has been the key success of these experiments using the (e,e'K+) reaction to produce Λ hypernuclei.

  11. Laser Spectroscopy

    NASA Astrophysics Data System (ADS)

    Hollberg, Leo; Bergquist, James Charles; Kasevich, Mark A.

    2008-04-01

    Degenerate gases. Probing vortex pair sizes in the Berezinskii-Kosterlitz-Thouless regime on a two-dimensional lattice of Bose-Einstein condensates / V. Schweikhard ... [et al.]. Interacting Bose-Einstein condensates in random potentials / P. Bouyer ... [et al.]. Towards quantum magnetism with ultracold atoms in optical lattices / I. Bloch -- Precision measurement and fundamental physics. T-violation and the search for a permanent electric dipole moment of the mercury atom / E. N. Fortson -- Quantum information and control I. Quantum information processing and ramsey spectroscopy with trapped ions / C. F. Roos ... [et al.]. Quantum non-demolition counting of photons in a cavity / S. Haroche ... [et al.] -- Ultra-fast control and spectroscopy. Frequency-Comb- assisted mid-infrared spectroscopy / P. de Natale ... [et al.] -- Precision measurement and applications. Precision gravity tests by atom interferometry / G. M. Tino ... [et al.] -- Novel spectroscopic applications. On a variation of the proton-electron mass ratio / W. Ubachs ... [et al.] -- Quantum information and control II. Quantum interface between light and atomic ensembles / H. Krauter ... [et al.] -- Degenerate Fermi gases. An atomic Fermi gas near a P-wave Feshbach resonance / D. S. Jin, J. P. Gaebler and J. T. Stewart. Bragg scattering of correlated atoms from a degenerate Fermi gas / R. J. Ballagh, K. J. Challis and C. W. Gardiner -- Spectroscopy and control of atoms and molecules. Stark and Zeeman deceleration of neutral atoms and molecules / S. D. Hogan ... [et al.]. Generation of coherent, broadband and tunable soft x-ray continuum at the leading edge of the driver laser pulse / A. Jullien ... [et al.]. Controlling neural atoms and photons with optical conveyor belts and ultrathin optical fibers / D. Meschede. W. Alt and A. Rauschenbeutel -- Spectroscopy on the small scale. Wide-field cars-microscopy / C. Heinrich ... [et al.]. Atom nano-optics and nano-lithography / V. I. Balykin ... [et al

  12. Effects of time and temperature of firing on Fe-rich ceramics studied by Moessbauer spectroscopy and two-dimensional {sup 1}H-nuclear magnetic resonance relaxometry

    SciTech Connect

    Casieri, Cinzia; De Luca, Francesco; Nodari, Luca; Russo, Umberto; Terenzi, Camilla; Tudisca, Valentina

    2012-10-15

    The combined effects of firing temperature and soaking time on the microstructure of iron-rich porous ceramics have been studied by {sup 57}Fe-Moessbauer spectroscopy and 2D {sup 1}H nuclear magnetic resonance (NMR) relaxometry using a single-sided probe. Examining water-saturated ceramics using the relaxation correlation method, where longitudinal (T{sub 1}) and transverse (T{sub 2}) relaxation times are measured concurrently, provides information about firing-induced changes in both porosity (related to T{sub 1}) and magnetic properties (related to T{sub 2}). Comparing the information obtained from {sup 1}H-NMR analyses with that obtained from Moessbauer spectroscopy (which characterizes changes in iron-bearing species) shows that the T{sub 1}-T{sub 2} NMR correlation technique is very sensitive to even subtle modifications in the magnetic behavior of Fe-bearing species. Moreover, the single-sided NMR approach allows us to perform millimeter-scale depth-resolved measurements, which can be used to non-invasively study the microstructural heterogeneities associated with non-uniform firing effects inside ceramics. This is in contrast to Moessbauer spectroscopy, which requires that the ceramic samples be ground.

  13. Baryon spectroscopy

    SciTech Connect

    Klempt, Eberhard; Richard, Jean-Marc

    2010-04-15

    About 120 baryons and baryon resonances are known, from the abundant nucleon with u and d light-quark constituents up to the {Xi}{sub b}{sup -}=(bsd), which contains one quark of each generation and to the recently discovered {Omega}{sub b}{sup -}=(bss). In spite of this impressively large number of states, the underlying mechanisms leading to the excitation spectrum are not yet understood. Heavy-quark baryons suffer from a lack of known spin parities. In the light-quark sector, quark-model calculations have met with considerable success in explaining the low-mass excitations spectrum but some important aspects such as the mass degeneracy of positive-parity and negative-parity baryon excitations remain unclear. At high masses, above 1.8 GeV, quark models predict a very high density of resonances per mass interval which is not yet observed. In this review, issues are identified discriminating between different views of the resonance spectrum; prospects are discussed on how open questions in baryon spectroscopy may find answers from photoproduction and electroproduction experiments which are presently carried out in various laboratories.

  14. Amateur spectroscopy

    NASA Astrophysics Data System (ADS)

    Gavin, M. V.

    1998-06-01

    (The 1997 Presidential Address to the British Astronomical Association.) Auguste Comte is remembered for an unfortunate remark. In 1825 he said the chemical composition of stars would never be revealed. Within a decade or so the heart of the atom was being explored in remote stars through the science of spectroscopy. In simplistic terms one can regard the atom as a miniature solar system, but with the novel option that electrons (representing planets) having the ability to 'jump' from one orbit to another. In 'falling' to a lower orbit a photon of light of precise wavelength is released to travel outwards. When the electron 'jumps' to a higher orbit a photon of light is absorbed. This is taking place on a vast scale which we observe as lines in the spectrum - their position and prominence relates to the particular atomic element, temperature and pressure within the stellar atmosphere. It is beyond the scope of this Address to discuss the various processes that affect spectra, or to provide a mathematical explanation which can be found elsewhere. In any case the lack of a deep understanding does not preclude enjoyable or useful observations. Methods and results from amateurs conducting such observations are discussed in this paper.

  15. The 57Fe Mössbauer parameters of pyrite and marcasite with different provenances

    USGS Publications Warehouse

    Evans, B.J.; Johnson, R.G.; Senftle, F.E.; Cecil, C.B.; Dulong, F.

    1982-01-01

    The Mössbauer parameters of pyrite and marcasite exhibit appreciable variations, which bear no simple relationship to the geological environment in which they occur but appear to be selectively influenced by impurities, especially arsenic, in the pyrite lattice. Quantitative and qualitative determinations of pyrite/marcasite mechanical mixtures are straightforward at 298 K and 77 K but do require least-squares computer fittings and are limited to accuracies ranging from ±5 to ±15 per cent by uncertainties in the parameter values of the pure phases. The methodology and results of this investigation are directly applicable to coals for which the presence and relative amounts of pyrite and marcasite could be of considerable genetic significance.

  16. Effect of uniaxial tensile stress on the isomer shift of 57Fe in fcc stainless steels

    NASA Astrophysics Data System (ADS)

    Ratner, E.; Ron, M.

    1982-05-01

    The electron wave-function response to uniaxial tensile stress in fcc steels (SS310 and SS316) was investigated through the isomer shift of the Mössbauer effect. Stresses up to 12 kbar (the ultimate tensile stress is approximately 14 kbar) were applied at room temperature. The isomer shift changes linearly in these circumstances. It is concluded that, as in the case of hydrostatic pressure, the paramount factor here is the volume strain of the wave functions of 4S electrons.

  17. Chiroptical Spectroscopy

    NASA Astrophysics Data System (ADS)

    Gurst, Jerome E.

    1995-09-01

    A brief review of the literature, and Chemical and Engineering News in particular, reveals that the determination and use of optical activity is of increasing importance in today's commercial and research laboratories. The classical technique is to measure [alpha]D using a manual or recording polarimeter to provide a single value, the specific rotation at 589 nm. A spectropolarimeter can be used to determine optical activity through the UV-Visible spectrum (Optical Rotatory Dispersion [ORD]). At wavelengths far removed from electronic absorption bands, optical activity arises from circular birefringence, or the difference in the refractive index for left- and right-circularly polarized light; i.e., nL - nR does not equal zero for chiral materials. If the optical activity is measured through an absorption band, complex behavior is observed (a Cotton Effect curve). At an absorption band, chiral materials exhibit circular dichroism (CD), or a difference in the absorption of left- and right-circularly polarized light; epsilon L minus epsilon R does not equal zero. If the spectropolarimeter is set for the measurement of CD spectra, one observes what appears to be a UV-Vis spectrum except that some absorption bands are positive while others may be negative. Just as enantiomers have specific rotations that are equal and opposite at 589 nm (sodium D line), rotations are equal and opposite at all wavelengths, and CD measurements are equal and opposite at all wavelengths. Figure 1 shows the ORD curves for the enantiomeric carvones while Figure 2 contains the CD curves. The enantiomer of carvone that has the positive [alpha]D is obtained from caraway seeds and is known to have the S-configuration while the R-enantiomer is found in spearmint oil. Figure 1. ORD of S-(+)- and R-(-)-carvones Figure 2. CD of S-(+)- and R-(-)-carvones While little can be done to correlate stereochemistry with [alpha]D values, chiroptical spectroscopy (ORD and/or CD) often can be used to assign

  18. Mössbauer Spectroscopy of the Magnetic-Field-Induced Ferroelectric Phase of CuFeO2

    NASA Astrophysics Data System (ADS)

    Nakamura, Shin; Kobayashi, Yasuhiro; Kitao, Shinji; Seto, Makoto; Fuwa, Akio; Terada, Noriki

    2015-02-01

    57Fe Mössbauer spectroscopy in an applied magnetic field has been conducted on single crystals of CuFeO2 and CuFe0.965Ga0.035O2 in order to investigate magnetic-field-induced ferroelectric states. The Mössbauer spectra observed under a magnetic field change significantly, corresponding to magnetic-field-induced phase transitions. In the ferroelectric incommensurate (FEIC) phase (7 < Hex < 13 T), the spectrum can be explained by a model with spins distributed at approximately 20, 95, and 160° from the c-axis in the (110) plane. This spin configuration resembles the "complex noncollinear spin configuration (CNC)" model proposed theoretically. In the FEIC phase, the isomer shift is larger, while the quadrupole splitting and average hyperfine field are smaller than those in the collinear four sublattice (4SL, 0 < Hex < 7 T) and five sublattice (5SL, Hex > 13 T) phases. In addition, a noticeable change in the hyperfine field is observed with varying magnetic field. We consider that these changes indicate the change in the electronic state of the Fe3+ ion, possibly modified by a spin-orbit interaction.

  19. An evaluation of least-squares fitting methods in XAFS spectroscopy: iron-based SBA-15 catalyst formulations.

    PubMed

    Huggins, Frank E; Kim, Dae-Jung; Dunn, Brian C; Eyring, Edward M; Huffman, Gerald P

    2009-06-01

    A detailed comparison has been made of determinations by (57)Fe Mössbauer spectroscopy and four different XAFS spectroscopic methods of %Fe as hematite and ferrihydrite in 11 iron-based SBA-15 catalyst formulations. The four XAFS methods consisted of least-squares fitting of iron XANES, d(XANES)/dE, and EXAFS (k(3)chi and k(2)chi) spectra to the corresponding standard spectra of hematite and ferrihydrite. The comparison showed that, for this particular application, the EXAFS methods were superior to the XANES methods in reproducing the results of the benchmark Mössbauer method in large part because the EXAFS spectra of the two iron-oxide standards were much less correlated than the corresponding XANES spectra. Furthermore, the EXAFS and Mössbauer results could be made completely consistent by inclusion of a factor of 1.3+/-0.05 for the ratio of the Mössbauer recoilless fraction of hematite relative to that of ferrihydrite at room temperature (293K). This difference in recoilless fraction is attributed to the nanoparticle nature of the ferrihydrite compared to the bulk nature of the hematite. Also discussed are possible alternative non-least-squares XAFS methods for determining the iron speciation in this application as well as criteria for deciding whether or not least-squares XANES methods should be applied for the determination of element speciation in unknown materials. PMID:19185532

  20. Fe-H/D stretching and bending modes in nuclear resonant vibrational, Raman and infrared spectroscopies: Comparisons of density functional theory and experiment

    PubMed Central

    Pelmenschikov, Vladimir; Guo, Yisong; Wang, Hongxin; Cramer, Stephen P.; Case, David A.

    2010-01-01

    Infrared, Raman, and nuclear resonant vibrational (NRVS) spectroscopies have been used to address the Fe-H bonding in trans-Fe(H)(CO) iron hydride compound, Fe(H)(CO)(dppe)2, dppe = 1,2-bis(diphenylphosphino)ethane. H and D isotopomers of the compound, with the selective substitution at the metal-coordinated hydrogen, have been considered in order to address the Fe-H/D stretching and bending modes. Experimental results are compared to the normal mode analysis by the density functional theory (DFT). The results are that (i) the IR spectrum does not clearly show Fe–H stretching or bending modes; (ii) Fe–H stretching modes are clear but weak in the Raman spectrum, and Fe–H bending modes are weak; (iii) NRVS 57Fe spectroscopy resolves Fe-H bending clearly, but Fe–H or Fe–D stretching is above its experimentally resolved frequency range. DFT caclulations (with no scaling of frequencies) show intensities and peak locations that allow unambigous correlations between observed and calculated features, with frequency errors generally less than 15 cm−1. Prospects for using these techniques to unravel vibrational modes of protein active sites are discussed. PMID:21322496

  1. Heterodyne laser spectroscopy system

    DOEpatents

    Wyeth, Richard W.; Paisner, Jeffrey A.; Story, Thomas

    1989-01-01

    A heterodyne laser spectroscopy system utilizes laser heterodyne techniques for purposes of laser isotope separation spectroscopy, vapor diagnostics, processing of precise laser frequency offsets from a reference frequency and the like, and provides spectral analysis of a laser beam.

  2. Heterodyne laser spectroscopy system

    DOEpatents

    Wyeth, Richard W.; Paisner, Jeffrey A.; Story, Thomas

    1990-01-01

    A heterodyne laser spectroscopy system utilizes laser heterodyne techniques for purposes of laser isotope separation spectroscopy, vapor diagnostics, processing of precise laser frequency offsets from a reference frequency, and provides spectral analysis of a laser beam.

  3. Electron-impact spectroscopy

    NASA Technical Reports Server (NTRS)

    Trajmar, S.

    1990-01-01

    The methods of electron impact spectroscopy and cross section measurements are discussed and compared to optical spectroscopy. A brief summary of the status of this field and the available data is given.

  4. Moessbauer Spectroscopy of Martian and Sverrefjell Carbonates

    NASA Technical Reports Server (NTRS)

    Agresti, David G.; Morris, Richard V.

    2011-01-01

    Mars, in its putative "warmer, wetter: early history, could have had a CO2 atmosphere much denser than its current value of <10 mbar. The question of where all this early CO2 has gone has long been debated. Now, several instruments on Mars Exploration Rover (MER) Spirit, including its Moessbauer spectrometer MIMOS II, have identified Mg-Fe carbonate in rock outcrops at Comanche Spur in the Columbia Hills of Gusev Crater. With this finding, carbonate cements in volcanic breccia collected on Sverrefjell Volcano on Spitzbergen Island in the Svalbard Archipelago (Norway) during the AMASE project are mineralogical and possible process analogues of the newly discovered martian carbonate. We report further analyses of Mossbauer spectra from Comanche Spur and discuss their relationship to Mossbauer data acquired on Sverrefjell carbonates. The spectra were velocity calibrated with MERView and fit using MERFit. Instead of the "average temperature" Comanche spectrum (data from all temperature windows summed), we refit the Comanche data for QS within each temperature window, modeling as doublets for Fe2+(carbonate), Fe2+(olivine), and Fe3+(npOx). The temperature dependences of QS for the Comanche carbonate and for a low-Ca carbonate from Chocolate Pots in Yellowstone National Park (YNP) are shown; they are the same within error. For Comanche carbonate summed over 210-270 K, (CS, QS) = (1.23, 1.95) mm/s. The value of QS for Sverrefjell carbonate at 295 K, (CS, QS) = (1.25, 1.87) mm/s, is also plotted, and the plot shows that the QS for the Sverrefjell carbonate agrees within error with the Comanche data extrapolated to 295 K. This agreement is additional evidence that the Sverrefjell carbonates are Mossbauer analogues for the Comanche carbonates, and that both carbonates might have precipitated from solutions that became carbonate rich by passing through buried carbonate deposits.

  5. Magnetic ordering in semiconducting Tl0.53K0.47Fe1.64Se2 single crystals studied by Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Stadnik, Zbigniew M.; Wang, Pu; Żukrowski, Jan; Wang, Hang-Dong; Dong, Chi-Heng; Fang, Ming-Hu

    2012-06-01

    The results of a 57Fe Mössbauer spectroscopy study between 4.5 and 523.2 K and in external magnetic fields (up to 90 kOe) of semiconducting Tl0.53K0.47Fe1.64Se2 single crystals are reported. Evidence is provided for a possible phase separation into the magnetic majority and minority phases. It is demonstrated that the magnetic moments of the divalent Fe atoms located at the 16i site (space group I4/m) of the majority phase and of the minority phase are antiferromagnetically ordered, with the Néel temperature TN = 518.0(3.6) K. The magnetic moments at 5.0 K of 2.09(1) and 2.28(2) μB in these two phases are tilted from the crystallographic c axis by 18(1)∘ and 32(2)∘, respectively. The Debye temperature of Tl0.53K0.47Fe1.64Se2 is found to be 228(4) K.

  6. Magnetic composites from minerals: study of the iron phases in clay and diatomite using Mössbauer spectroscopy, magnetic measurements and XRD

    NASA Astrophysics Data System (ADS)

    Cabrera, M.; Maciel, J. C.; Quispe-Marcatoma, J.; Pandey, B.; Neri, D. F. M.; Soria, F.; Baggio-Saitovitch, E.; de Carvalho, L. B.

    2014-01-01

    Magnetic particles as matrix for enzyme immobilization have been used and due to the enzymatic derivative can be easily removed from the reaction mixture by a magnetic field. This work presents a study about the synthesis and characterization of iron phases into magnetic montmorillonite clay (mMMT) and magnetic diatomaceous earth (mDE) by 57Fe Mössbauer spectroscopy (MS), magnetic measurements and X-ray diffraction (XRD). Also these magnetic materials were assessed as matrices for the immobilization of invertase via covalent binding. Mössbauer spectra of the magnetic composites performed at 4.2 K showed a mixture of magnetite and maghemite about equal proportion in the mMMT, and a pure magnetite phase in the sample mDE. These results were verified using XRD. The residual specific activity of the immobilized invertase on mMMT and mDE were 83 % and 92.5 %, respectively. Thus, both magnetic composites showed to be promising matrices for covalent immobilization of invertase.

  7. U(v) in metal uranates: A combined experimental and theoretical study of MgUO4, CrUO4, and FeUO4

    SciTech Connect

    Guo, Xiaofeng; Tiferet, Eitan; Qi, Liang; Solomon, Jonathan M.; Lanzirotti, Antonio; Newville, Matthew; Engelhard, Mark H.; Kukkadapu, Ravi K.; Wu, Di; Ilton, Eugene S.; Asta, Mark; Sutton, Stephen R.; Xu, Hongwu; Navrotsky, Alexandra

    2016-01-01

    Although pentavalent uranium can exist in aqueous solution, its presence in the solid state is uncommon. Metal monouranates, MgUO4, CrUO4 and FeUO4 were synthesized for detailed structural and energetic investigations. Structural characteristics of these uranates used powder X-ray diffraction, synchrotron X-ray absorption spectroscopy, X-ray photoelectron spectroscopy, and 57Fe-Mossbauer spectroscopy. Enthalpies of formation were measured by high temperature oxide melt solution calorimetry. Density functional theory (DFT) calculations provided both structural and energetic information. The measured structural and thermodynamic properties show good consistency with those predicted from DFT. The presence of U5+ has been solidly confirmed in CrUO4 and FeUO4, which are thermodynamically stable compounds, and the origin and stability of U5+ in the system was elaborated by DFT. Lastly, the structural and thermodynamic behaviour of U5+ elucidated in this work is relevant to fundamental actinide redox chemistry and to applications in the nuclear industry and radioactive waste disposal.

  8. U(v) in metal uranates: A combined experimental and theoretical study of MgUO4, CrUO4, and FeUO4

    DOE PAGES

    Guo, Xiaofeng; Tiferet, Eitan; Qi, Liang; Solomon, Jonathan M.; Lanzirotti, Antonio; Newville, Matthew; Engelhard, Mark H.; Kukkadapu, Ravi K.; Wu, Di; Ilton, Eugene S.; et al

    2016-01-01

    Although pentavalent uranium can exist in aqueous solution, its presence in the solid state is uncommon. Metal monouranates, MgUO4, CrUO4 and FeUO4 were synthesized for detailed structural and energetic investigations. Structural characteristics of these uranates used powder X-ray diffraction, synchrotron X-ray absorption spectroscopy, X-ray photoelectron spectroscopy, and 57Fe-Mossbauer spectroscopy. Enthalpies of formation were measured by high temperature oxide melt solution calorimetry. Density functional theory (DFT) calculations provided both structural and energetic information. The measured structural and thermodynamic properties show good consistency with those predicted from DFT. The presence of U5+ has been solidly confirmed in CrUO4 and FeUO4, which aremore » thermodynamically stable compounds, and the origin and stability of U5+ in the system was elaborated by DFT. Lastly, the structural and thermodynamic behaviour of U5+ elucidated in this work is relevant to fundamental actinide redox chemistry and to applications in the nuclear industry and radioactive waste disposal.« less

  9. BATSE spectroscopy analysis system

    NASA Technical Reports Server (NTRS)

    Schaefer, Bradley E.; Bansal, Sandhia; Basu, Anju; Brisco, Phil; Cline, Thomas L.; Friend, Elliott; Laubenthal, Nancy; Panduranga, E. S.; Parkar, Nuru; Rust, Brad

    1992-01-01

    The Burst and Transient Source Experiment (BATSE) Spectroscopy Analysis System (BSAS) is the software system which is the primary tool for the analysis of spectral data from BATSE. As such, Guest Investigators and the community as a whole need to know its basic properties and characteristics. Described here are the characteristics of the BATSE spectroscopy detectors and the BSAS.

  10. Imaging with Raman spectroscopy.

    PubMed

    Zhang, Yin; Hong, Hao; Cai, Weibo

    2010-09-01

    Raman spectroscopy, based on the inelastic scattering of a photon, has been widely used as an analytical tool in many research fields. Recently, Raman spectroscopy has also been explored for biomedical applications (e.g. cancer diagnosis) because it can provide detailed information on the chemical composition of cells and tissues. For imaging applications, several variations of Raman spectroscopy have been developed to enhance its sensitivity. This review article will provide a brief summary of Raman spectroscopy-based imaging, which includes the use of coherent anti-Stokes Raman spectroscopy (CARS, primarily used for imaging the C-H bond in lipids), surface-enhanced Raman spectroscopy (SERS, for which a variety of nanoparticles can be used as contrast agents), and single-walled carbon nanotubes (SWNTs, with its intrinsic Raman signal). The superb multiplexing capability of SERS-based Raman imaging can be extremely powerful in future research where different agents can be attached to different Raman tags to enable the interrogation of multiple biological events simultaneously in living subjects. The primary limitations of Raman imaging in humans are those also faced by other optical techniques, in particular limited tissue penetration. Over the last several years, Raman spectroscopy imaging has advanced significantly and many critical proof-of-principle experiments have been successfully carried out. It is expected that imaging with Raman Spectroscopy will continue to be a dynamic research field over the next decade.

  11. Metallomic EPR spectroscopy.

    PubMed

    Hagen, Wilfred R

    2009-09-01

    Based on explicit definitions of biomolecular EPR spectroscopy and of the metallome, this tutorial review positions EPR in the field of metallomics as a unique method to study native, integrated systems of metallobiomolecular coordination complexes subject to external stimuli. The specific techniques of whole-system bioEPR spectroscopy are described and their historic, recent, and anticipated applications are discussed.

  12. Total X-ray scattering, EXAFS, and Mössbauer spectroscopy analyses of amorphous ferric arsenate and amorphous ferric phosphate

    NASA Astrophysics Data System (ADS)

    Mikutta, Christian; Schröder, Christian; Marc Michel, F.

    2014-09-01

    Amorphous ferric arsenate (AFA, FeAsO4·xH2O) is an important As precipitate in a range of oxic As-rich environments, especially acidic sulfide-bearing mine wastes. Its structure has been proposed to consist of small polymers of single corner-sharing FeO6 octahedra (rFe-Fe ∼3.6 Å) to which arsenate is attached as a monodentate binuclear 2C complex (‘chain model’). Here, we analyzed the structure of AFA and analogously prepared amorphous ferric phosphates (AFP, FePO4·xH2O) by a combination of high-energy total X-ray scattering, Fe K-edge X-ray absorption spectroscopy, and 57Fe Mössbauer spectroscopy. Pair distribution function (PDF) analysis of total X-ray scattering data revealed that the coherently scattering domain size of AFA and AFP is about 8 Å. The PDFs of AFA lacked Fe-Fe pair correlations at r ∼3.6 Å indicative of single corner-sharing FeO6 octahedra, which strongly supports a local scorodite (FeAsO4·2H2O) structure. Likewise, the PDFs and Fe K-edge extended X-ray absorption fine structure data of AFP were consistent with a local strengite (FePO4·2H2O) structure of isolated FeO6 octahedra being corner-linked to PO4 tetrahedra (rFe-P = 3.25(1) Å). Mössbauer spectroscopy analyses of AFA and AFP indicated a strong superparamagnetism. While AFA only showed a weak onset of magnetic hyperfine splitting at 5 K, magnetic ordering of AFP was completely absent at this temperature. Mössbauer spectroscopy may thus offer a convenient way to identify and quantify AFA and AFP in mineral mixtures containing poorly crystalline Fe(III)-oxyhydroxides. In summary, our results imply a close structural relationship between AFA and AFP and suggest that these amorphous materials serve as templates for the formation of scorodite and strengite (phosphosiderite) in strongly acidic low-temperature environments.

  13. Ultrasensitive Laser Spectroscopy.

    ERIC Educational Resources Information Center

    Kliger, David S.

    1985-01-01

    Examines techniques used to make ultrasensitive spectroscopic measurements. They include excitation, thermal lens, photo acoustic, and ionization spectroscopies. Guidelines and methods are provided for each technique; common uses and applications are explained. (DH)

  14. Spectroscopy of divertor plasmas

    SciTech Connect

    Isler, R.C.

    1995-12-31

    The requirements for divertor spectroscopy are treated with respect to instrumentation and observations on present machines. Emphasis is placed on quantitative measurements.of impurity concentrations from the interpretation of spectral line intensities. The possible influence of non-Maxwellian electron distributions on spectral line excitation in the divertor is discussed. Finally the use of spectroscopy for determining plasma temperature, density, and flows is examined.

  15. Spectroscopy of D Mesons

    SciTech Connect

    Bianco, Stefano

    2006-02-11

    The scenario of heavy quark meson spectroscopy underwent recently a major revolution, after the observation of BABAR and CLEO, confirmed by BELLE, of DsJ L=1 excited states, and by further evidences by SELEX. These experimental results have cast doubts on the incarnations of the ideas of Heavy Quark Effective Theory in heavy quark spectroscopy. I shall review the status of experimental data, discuss implications and sketch an outlook.

  16. Auger resonant Raman spectroscopy

    SciTech Connect

    Azuma, Y.; LeBrun, T.; MacDonald, M.; Southworth, S.H.

    1995-08-01

    As noted above, traditional spectroscopy of the electronic structure of the inner shells of atoms, molecules, and solids is limited by the lifetime broadening of the core-excited states. This limitation can also be avoided with the non-radiative analog of X-ray Raman scattering - resonant Auger Raman spectroscopy. We have used this technique to study the K-shell excitation spectrum of argon as the photon energy is continuously scanned across threshold.

  17. Electronic Spectroscopy & Dynamics

    SciTech Connect

    Mark Maroncelli, Nancy Ryan Gray

    2010-06-08

    The Gordon Research Conference (GRC) on Electronic Spectroscopy and Dynamics was held at Colby College, Waterville, NH from 07/19/2009 thru 07/24/2009. The Conference was well-attended with participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students. The GRC on Electronic Spectroscopy & Dynamics showcases some of the most recent experimental and theoretical developments in electronic spectroscopy that probes the structure and dynamics of isolated molecules, molecules embedded in clusters and condensed phases, and bulk materials. Electronic spectroscopy is an important tool in many fields of research, and this GRC brings together experts having diverse backgrounds in physics, chemistry, biophysics, and materials science, making the meeting an excellent opportunity for the interdisciplinary exchange of ideas and techniques. Topics covered in this GRC include high-resolution spectroscopy, biological molecules in the gas phase, electronic structure theory for excited states, multi-chromophore and single-molecule spectroscopies, and excited state dynamics in chemical and biological systems.

  18. Neutron-driven gamma-ray laser

    DOEpatents

    Bowman, Charles D.

    1990-01-01

    A lasing cylinder emits laser radiation at a gamma-ray wavelength of 0.87 .ANG. when subjected to an intense neutron flux of about 400 eV neutrons. A 250 .ANG. thick layer of Be is provided between two layers of 100 .ANG. thick layer of .sup.57 Co and these layers are supported on a foil substrate. The coated foil is coiled to form the lasing cylinder. Under the neutron flux .sup.57 Co becomes .sup.58 Co by neutron absorption. The .sup.58 Co then decays to .sup.57 Fe by 1.6 MeV proton emission. .sup.57 Fe then transitions by mesne decay to a population inversion for lasing action at 14.4 keV. Recoil from the proton emission separates the .sup.57 Fe from the .sup.57 Co and into the Be, where Mossbauer emission occurs at a gamma-ray wavelength.

  19. Dielectric spectroscopy in agrophysics

    NASA Astrophysics Data System (ADS)

    Skierucha, W.; Wilczek, A.; Szypłowska, A.

    2012-04-01

    The paper presents scientific foundation and some examples of agrophysical applications of dielectric spectroscopy techniques. The aim of agrophysics is to apply physical methods and techniques for studies of materials and processes which occur in agriculture. Dielectric spectroscopy, which describes the dielectric properties of a sample as a function of frequency, may be successfully used for examinations of properties of various materials. Possible test materials may include agrophysical objects such as soil, fruit, vegetables, intermediate and final products of the food industry, grain, oils, etc. Dielectric spectroscopy techniques enable non-destructive and non-invasive measurements of the agricultural materials, therefore providing tools for rapid evaluation of their water content and quality. There is a limited number of research in the field of dielectric spectroscopy of agricultural objects, which is caused by the relatively high cost of the respective measurement equipment. With the fast development of modern technology, especially in high frequency applications, dielectric spectroscopy has great potential of expansion in agrophysics, both in cognitive and utilitarian aspects.

  20. Mineralogy of the clay fraction of soils from the moray cusco archaeological site: a study by energy dispersive X-ray fluorescence, X-ray diffractometry and Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Cerón Loayza, María L.; Bravo Cabrejos, Jorge A.; Mejía Santillán, Mirian E.

    2011-11-01

    The purpose of this work is to report the advances in the elemental and structural characterization of the clay fraction of soils from the terraces of the Moray Archaeological site, located 38 km north of the city of Cusco, Cusco Region. One sample was collected from each of the twelve terraces of this site and its clay fraction was separated by sedimentation. Previously the pH of the raw samples was measured resulting that all of the samples were from alkaline to strongly alkaline. Energy dispersive X-ray fluorescence (EDXRF) was used for the elemental characterization, and X-ray diffractometry (XRD) and transmission Mössbauer spectroscopy (TMS), using the γ 14.4 keV nuclear resonance transition in 57Fe, were used for the structural characterization of the clays and clay minerals present in each sample. The EDXRF analyses of all the samples show the presence of relatively high concentrations of sulfur in some of the samples and relatively high concentrations of calcium in all of the samples, which may be related to the high alkalinity of the samples. By XRD it is observed the presence of quartz, calcite, gypsum, cronstedtite, 2:1 phyllosilicates, and iron oxides. The mineralogical analysis of Fe by TMS shows that it is present in the form of hematite and occupying Fe2 + and Fe3 + sites in phyllosilicates, cronstedtite, and other minerals not yet identified.

  1. Influence of pH, iron source, and Fe/ligand ratio on iron speciation in lignosulfonate complexes studied using Mössbauer spectroscopy. Implications on their fertilizer properties.

    PubMed

    Carrasco, Jaime; Kovács, Krisztina; Czech, Viktória; Fodor, Ferenc; Lucena, Juan J; Vértes, Attila; Hernández-Apaolaza, Lourdes

    2012-04-01

    Iron chlorosis is a very common nutritional disorder in plants that can be treated using iron fertilizers. Synthetic chelates have been used to correct this problem, but nowadays environmental concerns have enforced the search for new, more environmentally friendly ligands, such as lignosulfonates. In this paper, Fe coordination environment and speciation in lignosulfonate (LS) complexes prepared under different experimental conditions were studied by (57)Fe Mössbauer spectroscopy in relation to the Fe-complexing capacities, chemical characteristics of the different products, and efficiency to provide iron in agronomic conditions. It has been observed that the complex formation between iron and lignosulfonates involves different coordination sites. When Fe(2+) is used to prepare the iron-LS product, complexes form weak adducts and are sensitive to oxidation, especially at neutral or alkaline pH. However, when Fe(3+) is used to form the complexes, both Fe(2+) and Fe(3+) are found. Reductive sugars, normally present in lignosulfonates, favor a relatively high content of Fe(2+) even in those complexes prepared using Fe(3+). The formation of amorphous ferrihydrite is also possible. With respect to the agronomical relevance of the Fe(2+)/Fe(3+) speciation provided by the Mössbauer spectra, it seems that the strong Fe(3+)-LS complexes are preferred when they are applied to the leaf, whereas root uptake in hydroponics could be more related with the presence of weak bonding sites.

  2. Vibrational Spectroscopy of Biomembranes

    NASA Astrophysics Data System (ADS)

    Schultz, Zachary D.; Levin, Ira W.

    2011-07-01

    Vibrational spectroscopy, commonly associated with IR absorption and Raman scattering, has provided a powerful approach for investigating interactions between biomolecules that make up cellular membranes. Because the IR and Raman signals arise from the intrinsic properties of these molecules, vibrational spectroscopy probes the delicate interactions that regulate biomembranes with minimal perturbation. Numerous innovative measurements, including nonlinear optical processes and confined bilayer assemblies, have provided new insights into membrane behavior. In this review, we highlight the use of vibrational spectroscopy to study lipid-lipid interactions. We also examine recent work in which vibrational measurements have been used to investigate the incorporation of peptides and proteins into lipid bilayers, and we discuss the interactions of small molecules and drugs with membrane structures. Emerging techniques and measurements on intact cellular membranes provide a prospective on the future of vibrational spectroscopic studies of biomembranes.

  3. Cham and Charmoniium Spectroscopy

    SciTech Connect

    Petersen, Brian Aa.; /Stanford U., Phys. Dept.

    2006-10-20

    The last few years have seen a revival of interest in charm spectroscopy with more than a dozen new states being reported and hundreds of new theoretical investigations being published. The advent of the B-factories [1,2], with their large, charm-rich data samples, has proven crucial to the discovery and investigation of new charm hadron states, but other experiments have confirmed and complemented the B-factory observations. Much interest has been generated by several new states that do not appear to be easily incorporated in the conventional picture of charm and charmonium mesons. Here, the focus is on the latest experimental results in charm spectroscopy and the determination of the nature of the recently discovered states. Recent experimental results in charm and charmonium spectroscopy are reviewed.

  4. Spectroscopy for the Masses

    NASA Astrophysics Data System (ADS)

    Le Roy, Robert J.; Hopkins, Scott; Power, William P.; Leung, Tong; Hepburn, John

    2015-06-01

    Undergraduate students in all areas of science encounter one or more types of spectroscopy as an essential tool in their discipline, but most never take the advanced physics or chemistry courses in which the subject is normally taught. To address this problem, for over 20 years our department has been teaching a popular Introductory Spectroscopy course that assumes as background only a one-term introductory chemistry course containing a unit on atomic theory, and a familiarity with rudimentary calculus. This survey course provides an introduction to microwave, infrared, Raman, electronic, photoelectron and NMR spectroscopy in a manner that allows students to understand many of these phenomena as intuitive generalizations of the problem of a particle in a 1-D box or a particle-on-a-ring, and does not require any high level mathematics.

  5. Spectroscopy of francium

    SciTech Connect

    Simsarian, J. E.; Grossman, J. S.; Orozco, L. A.; Pearson, M.; Sprouse, G. D.; Zhao, W. Z.

    1999-01-15

    Francium is the least studied of the alkali atoms because it has no stable isotopes. We have performed precision spectroscopy on cold Fr atoms in a magneto optical trap. We have determined the location of the first two excited states of the S series by two-photon spectroscopy. We have measured the lifetimes of the 7p levels with a precision better than 0.5%. Our measurements test the many-body perturbation theory ab initio calculations of the dipole matrix element to very high accuracy in this relativistic alkali.

  6. Submillimeter Fourier transform spectroscopy

    NASA Astrophysics Data System (ADS)

    Serabyn, Eugene

    1998-07-01

    At submillimeter wavelengths, broadband spectroscopy is currently possible only with a Fourier transform spectrometer (FTS). As a result, FTSes are quite useful for observations of objects in which spectral lines either cover a large frequency range, or where lines are broadened either by pressure or kinematics. Sources matching these descriptions include galaxies, hot, dense cores in interstellar molecular clouds, and planetary atmospheres. In the following, a tour of the classes of observations enabled by broadband spectroscopy is presented. As meaningful results call for attention to calibration, relevant calibration issues are discussed in the context of these observations.

  7. Bis(alpha-diimine)iron complexes: electronic structure determination by spectroscopy and broken symmetry density functional theoretical calculations.

    PubMed

    Muresan, Nicoleta; Lu, Connie C; Ghosh, Meenakshi; Peters, Jonas C; Abe, Megumi; Henling, Lawrence M; Weyhermöller, Thomas; Bill, Eckhard; Wieghardt, Karl

    2008-06-01

    The electronic structure of a family comprising tetrahedral (alpha-diimine)iron dichloride, and tetrahedral bis(alpha-diimine)iron compounds has been investigated by Mossbauer spectroscopy, magnetic susceptibility measurements, and X-ray crystallography. In addition, broken-symmetry density functional theoretical (B3LYP) calculations have been performed. A detailed understanding of the electronic structure of these complexes has been obtained. A paramagnetic (St=2), tetrahedral complex [FeII(4L)2], where (4L)1- represents the diamagnetic monoanion N-tert-butylquinolinylamide, has been synthesized and characterized to serve as a benchmark for a Werner-type complex containing a tetrahedral FeIIN4 geometry and a single high-spin ferrous ion. In contrast to the most commonly used description of the electronic structure of bis(alpha-diimine)iron(0) complexes as low-valent iron(0) species with two neutral alpha-diimine ligands, it is established here that they are, in fact, complexes containing two (alpha-diiminato)1-* pi radical monoanions and a high-spin ferrous ion (in tetrahedral N4 geometry) (SFe=2). Intramolecular antiferromagnetic coupling between the pi radical ligands (Srad=1/2) and the ferrous ion (SFe=2) yields the observed St=1 ground state. The study confirms that alpha-diimines are redox noninnocent ligands with an energetically low-lying antibonding pi* lowest unoccupied molecular orbital which can accept one or two electrons from a transition metal ion. The (alpha-diimine)FeCl2 complexes (St=2) are shown to contain a neutral alpha-diimine ligand, a high spin ferrous ion, and two chloride ligands. PMID:18442239

  8. Fourier transform infrared spectroscopy

    SciTech Connect

    Ferraro, J.R.; Basile, L.J.

    1985-01-01

    The final and largest volume to complete this four-volume treatise is published in response to the intense commercial and research interest in Fourier Transform Interferometry. Volume 4 introduces new information on, for example, applications of Diffuse Reflectance Spectroscopy in the Far-infrared Region. The editors place emphasis on surface studies and address advances in Capillary Gas Chromatography-Fourier Transform Interferometry.

  9. Spectroscopy with Supersonic Jets.

    ERIC Educational Resources Information Center

    Skinner, Anne R.; Chandler, Dean W.

    1980-01-01

    Discusses a new technique that enables spectroscopists to study gas phase molecules at temperatures below 1 K, without traditional cryogenic apparatus. This technique uses supersonic jets as samples for gas molecular spectroscopy. Highlighted are points in the theory of supersonic flow which are important for applications in molecular…

  10. FTIR Rotational Spectroscopy.

    ERIC Educational Resources Information Center

    Woods, Ron; Henderson, Giles

    1987-01-01

    Presented are representative examples of the spectra and the analyses for a linear molecule (HC1), a symmetric top molecule (NH3), and an asymmetric top (H2O). Any combination of these projects could be incorporated in a physical chemistry or molecular spectroscopy laboratory. (RH)

  11. Advanced Spectroscopy Technique for Biomedicine

    NASA Astrophysics Data System (ADS)

    Zhao, Jianhua; Zeng, Haishan

    This chapter presents an overview of the applications of optical spectroscopy in biomedicine. We focus on the optical design aspects of advanced biomedical spectroscopy systems, Raman spectroscopy system in particular. Detailed components and system integration are provided. As examples, two real-time in vivo Raman spectroscopy systems, one for skin cancer detection and the other for endoscopic lung cancer detection, and an in vivo confocal Raman spectroscopy system for skin assessment are presented. The applications of Raman spectroscopy in cancer diagnosis of the skin, lung, colon, oral cavity, gastrointestinal tract, breast, and cervix are summarized.

  12. Broadband Rotational Spectroscopy

    NASA Astrophysics Data System (ADS)

    Pate, Brooks

    2014-06-01

    The past decade has seen several major technology advances in electronics operating at microwave frequencies making it possible to develop a new generation of spectrometers for molecular rotational spectroscopy. High-speed digital electronics, both arbitrary waveform generators and digitizers, continue on a Moore's Law-like development cycle that started around 1993 with device bandwidth doubling about every 36 months. These enabling technologies were the key to designing chirped-pulse Fourier transform microwave (CP-FTMW) spectrometers which offer significant sensitivity enhancements for broadband spectrum acquisition in molecular rotational spectroscopy. A special feature of the chirped-pulse spectrometer design is that it is easily implemented at low frequency (below 8 GHz) where Balle-Flygare type spectrometers with Fabry-Perot cavity designs become technologically challenging due to the mirror size requirements. The capabilities of CP-FTMW spectrometers for studies of molecular structure will be illustrated by the collaborative research effort we have been a part of to determine the structures of water clusters - a project which has identified clusters up to the pentadecamer. A second technology trend that impacts molecular rotational spectroscopy is the development of high power, solid state sources in the mm-wave/THz regions. Results from the field of mm-wave chirped-pulse Fourier transform spectroscopy will be described with an emphasis on new problems in chemical dynamics and analytical chemistry that these methods can tackle. The third (and potentially most important) technological trend is the reduction of microwave components to chip level using monolithic microwave integrated circuits (MMIC) - a technology driven by an enormous mass market in communications. Some recent advances in rotational spectrometer designs that incorporate low-cost components will be highlighted. The challenge to the high-resolution spectroscopy community - as posed by Frank De

  13. Resonant nuclear scattering of synchrotron radiation: Detector development and specular scattering from a thin layer of {sup 57}Fe

    SciTech Connect

    Baron, A.Q.R.

    1995-04-01

    This thesis explores resonant nudear scattering of synchrotron radiation. An introductory chapter describes some useful concepts, such as speedup and coherent enhancement, in the context of some basic physical principles. Methods of producing highly monochromatic synchrotron beams usmg either electronic or nuclear scattering are also discussed. The body of the thesis concentrates on detector development and specular scattering from iynthetic layered materials. A detector employing n-dcrochannel plate electron multipliers is shown to have good ({approximately}50%) effidency for detecting 14.4 key x-rays incident at small ({approximately}0.5 degree) grazing angles onto Au or CsI photocathodes. However, being complicated to use, it was replaced with a large area (>=lan2) avalanche photodiode (APD) detector. The APD`s are simpler to use and have comparable (30--70%) efficiencies at 14.4 key, subnanosecond time resolution, large dynan-dc range (usable at rates up to {approximately}10{sup 8} photons/second) and low (<{approximately}0.01 cts/sec) background rates. Maxwell`s equations are used to derive the specular x-ray reflectivity of layered materials with resonant transitions and complex polarization dependencies. The effects of interfadal roughness are treated with some care, and the distorted wave Born approximation (DWBA) used to describe electronic scattering is generalized to the nuclear case. The implications of the theory are discussed in the context of grazing incidence measurements with emphasis on the kinematic and dynamical aspects of the scattering.

  14. Sustaining reactivity of Fe(0) for nitrate reduction via electron transfer between dissolved Fe(2+) and surface iron oxides.

    PubMed

    Han, Luchao; yang, Li; Wang, Haibo; Hu, Xuexiang; Chen, Zhan; Hu, Chun

    2016-05-01

    The mechanism of the effects of Fe(2+)(aq) on the reduction of NO3(-) by Fe(0) was investigated. The effects of initial pH on the rate of NO3(-) reduction and the Fe(0) surface characteristics revealed Fe(2+)(aq) and the characteristics of minerals on the surface of Fe(0) played an important role in NO3(-) reduction. Both NO3(-) reduction and the decrease of Fe(2+)(aq) exhibited similar kinetics and were promoted by each other. This promotion was associated with the types of the surface iron oxides of Fe(0). Additionally, further reduction of NO3(-) produced more surface iron oxides, supplying more active sites for Fe(2+)(aq), resulting in more electron transfer between Fe(2+) and surface iron oxides and a higher reaction rate. Using the isotope specificity of (57)Fe Mossbauer spectroscopy, it was verified that the Fe(2+)(aq) was continuously converted into Fe(3+) oxides on the surface of Fe(0) and then converted into Fe3O4 via electron transfer between Fe(2+) and the pre-existing surface Fe(3+) oxides. Electrochemistry measurements confirmed that the spontaneous electron transfer between the Fe(2+) and structural Fe(3+) species accelerated the interfacial electron transfer between the Fe species and NO3(-). This study provides a new insight into the interaction between Fe species and contaminants and interface electron transfer.

  15. Structure and morphology of magnetite anaerobically-produced by a marine magnetotactic bacterium and a dissimilatory iron-reducing bacterium

    USGS Publications Warehouse

    Sparks, N.H.C.; Mann, S.; Bazylinski, D.A.; Lovley, D.R.; Jannasch, H.W.; Frankel, R.B.

    1990-01-01

    Intracellular crystals of magnetite synthesized by cells of the magnetotactic vibroid organism, MV-1, and extracellular crystals of magnetite produced by the non-magnetotactic dissimilatory iron-reducing bacterium strain GS-15, were examined using high-resolution transmission electron microscopy, electron diffraction and 57Fe Mo??ssbauer spectroscopy. The magnetotactic bacterium contained a single chain of approximately 10 crystals aligned along the long axis of the cell. The crystals were essentially pure stoichiometric magnetite. When viewed along the crystal long axis the particles had a hexagonal cross-section whereas side-on they appeared as rectangules or truncated rectangles of average dimension, 53 ?? 35 nm. These findings are explained in terms of a three-dimensional morphology comprising a hexagonal prism of {110} faces which are capped and truncated by {111} end faces. Electron diffraction and lattice imaging studies indicated that the particles were structurally well-defined single crystals. In contrast, magnetite particles produced by the strain, GS-15 were irregular in shape and had smaller mean dimensions (14 nm). Single crystals were imaged but these were not of high structural perfection. These results highlight the influence of intracellular control on the crystallochemical specificity of bacterial magnetites. The characterization of these crystals is important in aiding the identification of biogenic magnetic materials in paleomagnetism and in studies of sediment magnetization. ?? 1990.

  16. Reinvestigation of the annite = sanidine + magnetite + H2 reaction using the fH2-sensor technique

    USGS Publications Warehouse

    Cygan, G.L.; Chou, I.-Ming; Sherman, David M.

    1996-01-01

    The decomposition of the iron mica, annite, to sanidine plus magnetite and vapor, KFe3AlSi3O10(OH)2 = KAlSi3O8 + Fe3O4 + H2, has been reexamined experimentally with the use of a variety of buffers coupled with fH2 sensors at 2 kbar and between 400 and 840 ??C. Various capsule configurations were used in this study to delineate the equilibrium constant for this reaction in conjunction with 57Fe Mo??ssbauer spectroscopy measurements to monitor the oxy-annite component in mica in selected experiments. Results at the most reducing and highest temperature conditions of this study extend the annite stability field to higher temperature and fo2 values than those defined in previous work. Lower temperature results indicate that the annite-sanidine-magnetite stability boundary does not intersect the hematite + magnetite + H2O buffer at 400??C as previously reported but rather is subparallel to the buffer curve at lower fo2 values. The equilibrium fH2 (in bars) for the assemblage annite + sanidine + magnetite + vapor at 2 kbar and between 400 and 840 ??C can be described by the relation log fH2 (??0.08) = 13.644 - (17368/T) + (5.168 ?? 106)/T2, where T is temperature in kelvins.

  17. Photothermal deflection spectroscopy and detection

    SciTech Connect

    Jackson, W. B.; Amer, Nabil M.; Boccara, A. C.; Fournier, D.

    1981-04-15

    The theory for a sensitive spectroscopy based on the photothermal deflection of a laser beam is developed. We consider cw and pulsed cases of both transverse and collinear photothermal deflection spectroscopy for solids, liquids, gases, and thin films. The predictions of the theory are experimentally verified, its implications for imaging and microscopy are given, and the sources of noise are analyzed. The sensitivity and versatility of photothermal deflection spectroscopy are compared with thermal lensing and photoacoustic spectroscopy.

  18. Multidimensional spectroscopy of photoreactivity

    PubMed Central

    Ruetzel, Stefan; Diekmann, Meike; Nuernberger, Patrick; Walter, Christof; Engels, Bernd; Brixner, Tobias

    2014-01-01

    Coherent multidimensional electronic spectroscopy is commonly used to investigate photophysical phenomena such as light harvesting in photosynthesis in which the system returns back to its ground state after energy transfer. By contrast, we introduce multidimensional spectroscopy to study ultrafast photochemical processes in which the investigated molecule changes permanently. Exemplarily, the emergence in 2D and 3D spectra of a cross-peak between reactant and product reveals the cis–trans photoisomerization of merocyanine isomers. These compounds have applications in organic photovoltaics and optical data storage. Cross-peak oscillations originate from a vibrational wave packet in the electronically excited state of the photoproduct. This concept isolates the isomerization dynamics along different vibrational coordinates assigned by quantum-chemical calculations, and is applicable to determine chemical dynamics in complex photoreactive networks. PMID:24639540

  19. Precision Muonium Spectroscopy

    NASA Astrophysics Data System (ADS)

    Jungmann, Klaus P.

    2016-09-01

    The muonium atom is the purely leptonic bound state of a positive muon and an electron. It has a lifetime of 2.2 µs. The absence of any known internal structure provides for precision experiments to test fundamental physics theories and to determine accurate values of fundamental constants. In particular ground state hyperfine structure transitions can be measured by microwave spectroscopy to deliver the muon magnetic moment. The frequency of the 1s-2s transition in the hydrogen-like atom can be determined with laser spectroscopy to obtain the muon mass. With such measurements fundamental physical interactions, in particular quantum electrodynamics, can also be tested at highest precision. The results are important input parameters for experiments on the muon magnetic anomaly. The simplicity of the atom enables further precise experiments, such as a search for muonium-antimuonium conversion for testing charged lepton number conservation and searches for possible antigravity of muons and dark matter.

  20. Charm and Charm Spectroscopy

    SciTech Connect

    Santoro, Valentina; /Ferrara U.

    2011-11-23

    Recent developements in D mixing physics and charm spectroscopy will be discussed. Focus will be on the BaBar experimental results for the D mixing: first evidence of the D{sup 0}-mixing (hadronic D{sup 0} decays), lifetime difference and time-dependent Dalitz plot analysis of D{sup 0} {yields} K{sup +}{pi}{sup -}{pi}{sup 0}. Then, recent results on charm spectroscopy will be presented with particular focus on the new Ds states that have been discovered in the last few years. Some of these states were not expected theoretically: their masses, widths, quantum numbers, and decay modes do not fit the existing spectroscopic classication, which is based mostly on potential model calculations.

  1. Chiral rotational spectroscopy

    NASA Astrophysics Data System (ADS)

    Cameron, Robert P.; Götte, Jörg B.; Barnett, Stephen M.

    2016-09-01

    We introduce chiral rotational spectroscopy, a technique that enables the determination of the orientated optical activity pseudotensor components BX X, BY Y, and BZ Z of chiral molecules, in a manner that reveals the enantiomeric constitution of a sample and provides an incisive signal even for a racemate. Chiral rotational spectroscopy could find particular use in the analysis of molecules that are chiral solely by virtue of their isotopic constitution and molecules with multiple chiral centers. A basic design for a chiral rotational spectrometer together with a model of its functionality is given. Our proposed technique offers the more familiar polarizability components αX X, αY Y, and αZ Z as by-products, which could see it find use even for achiral molecules.

  2. Photothermal absorption correlation spectroscopy.

    PubMed

    Octeau, Vivien; Cognet, Laurent; Duchesne, Laurence; Lasne, David; Schaeffer, Nicolas; Fernig, David G; Lounis, Brahim

    2009-02-24

    Fluorescence correlation spectroscopy (FCS) is a popular technique, complementary to cell imaging for the investigation of dynamic processes in living cells. Based on fluorescence, this single molecule method suffers from artifacts originating from the poor fluorophore photophysics: photobleaching, blinking, and saturation. To circumvent these limitations we present here a new correlation method called photothermal absorption correlation spectroscopy (PhACS) which relies on the absorption properties of tiny nano-objects. PhACS is based on the photothermal heterodyne detection technique and measures akin FCS, the time correlation function of the detected signals. Application of this technique to the precise determination of the hydrodynamic sizes of different functionalized gold nanoparticles are presented, highlighting the potential of this method. PMID:19236070

  3. 2008 Vibrational Spectroscopy

    SciTech Connect

    Philip J. Reid

    2009-09-21

    The conference focuses on using vibrational spectroscopy to probe structure and dynamics of molecules in gases, liquids, and interfaces. The goal is to bring together a collection of researchers who share common interests and who will gain from discussing work at the forefront of several connected areas. The intent is to emphasize the insights and understanding that studies of vibrations provide about a variety of systems.

  4. Theory and spectroscopy

    NASA Astrophysics Data System (ADS)

    Stanton, John F.

    2015-05-01

    The interaction between quantum-mechanical theory and spectroscopy is one of the most fertile interfaces in all of science, and has a richly storied history. Of course it was spectroscopy that provided essentially all of the evidence that not all was well (or, perhaps more correctly put, complete) with the world of 19th century classical physics. From the discoveries of the dark lines in the solar spectrum by Fraunhöfer in 1814 to the curiously simple geometric formula discovered seventy years later that described the hydrogen atom spectrum, spectroscopy and spectroscopists have consistently identified the areas of atomic and molecular science that are most in need of hard thinking by theoreticians. The rest of the story, of course, is well-known: spectroscopic results were used to understand and motivate the theory of radioactivity and ultimately the quantum theory, first in its immature form that was roughly contemporaneous with the first World War, and then the Heisenberg-Schrödinger-Dirac version that has withstood the test of time. Since the basic principles of quantum mechanics ware first understood, the subject has been successfully used to understand the patterns found in spectra, and how these relate to molecular structure, symmetry, energy levels, and dynamics. But further understanding required to attain these intellectual achievements has often come only as a result of vital and productive interactions between theoreticians and spectroscopists (of course, many people have strengths in both areas). And indeed, a field that might be termed "theoretical spectroscopy" was cultivated and is now an important part of modern molecular science.

  5. Layman friendly spectroscopy

    NASA Astrophysics Data System (ADS)

    Sentic, Stipo; Sessions, Sharon

    Affordable consumer grade spectroscopes (e.g. SCiO, Qualcomm Tricorder XPRIZE) are becoming more available to the general public. We introduce the concepts of spectroscopy to the public and K12 students and motivate them to delve deeper into spectroscopy in a dramatic participatory presentation and play. We use diffraction gratings, lasers, and light sources of different spectral properties to provide a direct experience of spectroscopy techniques. Finally, we invite the audience to build their own spectroscope--utilizing the APS SpectraSnapp cell phone application--and study light sources surrounding them in everyday life. We recontextualize the stigma that science is hard (e.g. ``Math, Science Popular Until Students Realize They're Hard,'' The Wall Street Journal) by presenting the material in such a way that it demonstrates the scientific method, and aiming to make failure an impersonal scientific tool--rather than a measure of one's ability, which is often a reason for shying away from science. We will present lessons we have learned in doing our outreach to audiences of different ages. This work is funded by the APS Outreach Grant ``Captain, we have matter matters!'' We thank New Mexico Tech Physics Department and Physics Club for help and technical equipment.

  6. High Resolution Laboratory Spectroscopy

    NASA Astrophysics Data System (ADS)

    Brünken, S.; Schlemmer, S.

    2016-05-01

    In this short review we will highlight some of the recent advancements in the field of high-resolution laboratory spectroscopy that meet the needs dictated by the advent of highly sensitive and broadband telescopes like ALMA and SOFIA. Among these is the development of broadband techniques for the study of complex organic molecules, like fast scanning conventional absorption spectroscopy based on multiplier chains, chirped pulse instrumentation, or the use of synchrotron facilities. Of similar importance is the extension of the accessible frequency range to THz frequencies, where many light hydrides have their ground state rotational transitions. Another key experimental challenge is the production of sufficiently high number densities of refractory and transient species in the laboratory, where discharges have proven to be efficient sources that can also be coupled to molecular jets. For ionic molecular species sensitive action spectroscopic schemes have recently been developed to overcome some of the limitations of conventional absorption spectroscopy. Throughout this review examples demonstrating the strong interplay between laboratory and observational studies will be given.

  7. Vibrational spectroscopy of stichtite

    NASA Astrophysics Data System (ADS)

    Frost, Ray L.; Erickson, Kristy L.

    2004-11-01

    Raman spectroscopy complimented with infrared spectroscopy has been used to study the mineral stitchtite, a hydrotalcite of formula Mg 6Cr 2(CO 3)(OH) 16·4H 2O. Two bands are observed at 1087 and 1067 cm -1 with an intensity ratio of ˜2.5/1 and are attributed to the symmetric stretching vibrations of the carbonate anion. The observation of two bands is attributed to two species of carbonate in the interlayer, namely weakly hydrogen bonded and strongly hydrogen bonded. Two infrared bands are found at 1457 and 1381 cm -1 and are assigned to the antisymmetric stretching modes. These bands were not observed in the Raman spectrum. Two infrared bands are observed at 744 and 685 cm -1 and are assigned to the ν4 bending modes. Two Raman bands were observed at 539 and 531 cm -1 attributed to the ν2 bending modes. Importantly the band positions of the paragenically related hydrotalcites stitchtite, iowaite, pyroaurite and reevesite all of which contain the carbonate anion occur at different wavenumbers. Consequently, Raman spectroscopy can be used to distinguish these minerals, particularly in the field where many of these hydrotalcites occur simultaneously in ore zones.

  8. Potential application of microbial iron redox cycles in nitrate removal and their effects on clay mineral properties

    NASA Astrophysics Data System (ADS)

    Zhao, L.; Dong, H.; Kukkadapu, R. K.; Briggs, B. R.; Zeng, Q.

    2014-12-01

    Phyllosilicates that are ubiquitous in subsurface can serve as an iron source for microbial respiration. The objective of this research is to determine the ability of the phyllosilicate Fe to remove nitrate in subsurface undergoing microbial-driven redox cycles. In this study, thus, a well-characterized reference clay (NAu-2; nontronite), was subjected to redox cycles in a system containing dissimilatory Fe(III)-reducing bacteria, Shewanella putrefaciens CN32, and nitrate-dependent Fe(II)-oxidizing bacteria, Pseudogulbenkiania sp. Strain 2002. Three redox cycles were conducted in bicarbonate- and PIPES-buffered medium. The extents of Fe(III) reduction, Fe(II) oxidation, nitrate reduction, and its various intermediate products were measured by wet chemical methods. For each cycle, Electron Energy Loss Spectroscopy and Mossbauer spectroscopy confirmed Fe oxidation state. Mineralogical changes were identified by using X-ray diffraction (XRD), 57Fe-Mössbauer spectroscopy, and infrared absorption spectroscopy. For all three cycles, nitrate was completely reduced to nitrogen gas under both bicarbonate- and PIPES- buffered conditions. As redox cycle increased, bio-reduction extents of Fe(III) in NAu-2 decreased by 33% and 48% in PIPES- and bicarbonate-buffered medium, respectively; however, bio-oxidation extents increased by 66% and 55% in the same medium, respectively. Despite the change of OH-stretching vibration band and OH-bending vibration bands in NAu-2 structure along Fe redox cycles, XRD data showed interlayer spacing of NAu-2 to be constant along the same Fe redox cycle. 57Fe-Mössbauer spectroscopy indicated complex reduction and re-oxidation pathways. For example, a distinct Fe(II) doublet and a Fe2.5+ feature due to interfacial Fe(II)-Fe(III) electron transfer on clay mineral are prominent in their RT spectra. Both these Fe(II) are partially oxidized by Fe(II)-oxidizing bacteria. The result of this study shows that Fe in biogenically reduced or oxidized NAu-2

  9. Nuclear resonance vibrational spectroscopy reveals the FeS cluster composition and active site vibrational properties of an O2-tolerant NAD+-reducing [NiFe] hydrogenase

    DOE PAGES

    Lauterbach, Lars; Wang, Hongxin; Horch, Marius; Gee, Leland B.; Yoda, Yoshitaka; Tanaka, Yoshihito; Zebger, Ingo; Lenz, Oliver; Cramer, Stephen P.

    2014-10-30

    Hydrogenases are complex metalloenzymes that catalyze the reversible splitting of molecular hydrogen into protons and electrons essentially without overpotential. The NAD+-reducing soluble hydrogenase (SH) from Ralstonia eutropha is capable of H2 conversion even in the presence of usually toxic dioxygen. The molecular details of the underlying reactions are largely unknown, mainly because of limited knowledge of the structure and function of the various metal cofactors present in the enzyme. Here, all iron-containing cofactors of the SH were investigated by 57Fe specific nuclear resonance vibrational spectroscopy (NRVS). Our data provide experimental evidence for one [2Fe2S] center and four [4Fe4S] clusters, whichmore » is consistent with the amino acid sequence composition. Only the [2Fe2S] cluster and one of the four [4Fe4S] clusters were reduced upon incubation of the SH with NADH. This finding explains the discrepancy between the large number of FeS clusters and the small amount of FeS cluster-related signals as detected by electron paramagnetic resonance spectroscopic analysis of several NAD+-reducing hydrogenases. For the first time, Fe–CO and Fe–CN modes derived from the [NiFe] active site could be distinguished by NRVS through selective 13C labeling of the CO ligand. This strategy also revealed the molecular coordinates that dominate the individual Fe–CO modes. The present approach explores the complex vibrational signature of the Fe–S clusters and the hydrogenase active site, thereby showing that NRVS represents a powerful tool for the elucidation of complex biocatalysts containing multiple cofactors.« less

  10. Iron silicide formation at different layers of (Fe/Si){sub 3} multilayered structures determined by conversion electron Mössbauer spectroscopy

    SciTech Connect

    Badía-Romano, L. Bartolomé, J.; Rubín, J.; Magén, C.; Bürgler, D. E.

    2014-07-14

    The morphology and the quantitative composition of the Fe-Si interface layer forming at each Fe layer of a (Fe/Si){sub 3} multilayer have been determined by means of conversion electron Mössbauer spectroscopy (CEMS) and high-resolution transmission electron microscopy (HRTEM). For the CEMS measurements, each layer was selected by depositing the Mössbauer active {sup 57}Fe isotope with 95% enrichment. Samples with Fe layers of nominal thickness d{sub Fe} = 2.6 nm and Si spacers of d{sub Si} = 1.5 nm were prepared by thermal evaporation onto a GaAs(001) substrate with an intermediate Ag(001) buffer layer. HRTEM images showed that Si layers grow amorphous and the epitaxial growth of the Fe is good only for the first deposited layer. The CEMS spectra show that at all Fe/Si and Si/Fe interfaces a paramagnetic c-Fe{sub 1−x}Si phase is formed, which contains 16% of the nominal Fe deposited in the Fe layer. The bottom Fe layer, which is in contact with the Ag buffer, also contains α-Fe and an Fe{sub 1−x}Si{sub x} alloy that cannot be attributed to a single phase. In contrast, the other two layers only comprise an Fe{sub 1−x}Si{sub x} alloy with a Si concentration of ≃0.15, but no α-Fe.

  11. Euv spectroscopy in astrophysics

    NASA Astrophysics Data System (ADS)

    Kowalski, M.; Cruddace, R.; Wood, K.; Barstow, M.

    The bulk of radiation from million-degree plasmas is emitted at EUV wavelengths. Such plasmas are ubiquitous in astrophysics, and examples include the atmospheres of white dwarfs, accretion phenomena in cataclysmic variables, the coronae of active stars, and the interstellar medium (ISM) of our own galaxy and as well as that of others. EUV wavelengths encompass critical spectral features with diagnostic information often not available at other wavelengths. For example in the ISM the bound free continuum of He II (< 228 Angstroms) and the resonance line at 304 Angstroms are the only useful diagnostics of the He II density. EUVE and the ROSAT WFC left a tremendous legacy in broad-band photometry at EUV wavelengths, and the former introduced EUV spectroscopy. However the termination of EUVE left a gap that CHIPS fills only partially as it is optimized for diffuse emission. Moreover, while Chandra has demonstrated the promise of high-resolution X-ray spectroscopy, EUV spectrometers have had modest resolution and effective area (EUVE: 1 cm2, Resolution 400; CHIPS: Resolution 150) until recently. Our sounding rocket instrument J-PEX has now made the first successful high-resolution (effective area 3 cm2, Resolution 3000) spectral observation in the EUV, and future instruments with effective area >30 cm2 and Resolution>10,000 are now practical. We will highlight EUV spectroscopy results in non-solar astrophysics and trace the development of instrument capabilities that lead to the next generation of high-resolution EUV spectrometers. This work is supported by the Office of Naval Research and NRL, and by NASA Space Astrophysics and Research Analysis grants.

  12. Active Beam Spectroscopy

    NASA Astrophysics Data System (ADS)

    von Hellermann, M. G.; Delabie, E.; Jaspers, R. J. E.; Biel, W.; Marchuk, O.; Summers, H. P.; Whiteford, A.; Giroud, C.; Hawkes, N. C.; Zastrow, K. D.

    2008-03-01

    Charge eXchange Recombination Spectroscopy (CXRS) plays a pivotal role in the diagnostics of hot fusion plasmas and is implemented currently in most of the operating devices. In the present report the main features of CXRS are summarized and supporting software packages encompassing "Spectral Analysis Code CXSFIT", "Charge Exchange Analysis Package CHEAP", and finally "Forward Prediction of Spectral Features" are described. Beam Emission Spectroscopy (BES) is proposed as indispensable cross-calibration tool for absolute local impurity density measurements and also for the continuous monitoring of the neutral beam power deposition profile. Finally, a full exploitation of the `Motional Stark Effect' pattern is proposed to deduce local pitch angles, total magnetic fields and possibly radial electric fields. For the proposed active beam spectroscopy diagnostic on ITER comprehensive performance studies have been carried out. Estimates of expected spectral signal-to-noise ratios are based on atomic modelling of neutral beam stopping and emissivities for CXRS, BES and background continuum radiation as well as extrapolations from present CXRS diagnostic systems on JET, Tore Supra, TEXTOR and ASDEX-UG. Supplementary to thermal features a further promising application of CXRS has been proposed recently for ITER, that is a study of slowing-down alpha particles in the energy range up to 2 MeV making use of the 100 keV/amu DNB (Diagnostic Neutral Beam) and the 500 keV/amu HNB (Heating Neutral Beam). Synthetic Fast Ion Slowing-Down spectra are evaluated in terms of source rates and slowing-down parameters

  13. Dark Matter Velocity Spectroscopy.

    PubMed

    Speckhard, Eric G; Ng, Kenny C Y; Beacom, John F; Laha, Ranjan

    2016-01-22

    Dark matter decays or annihilations that produce linelike spectra may be smoking-gun signals. However, even such distinctive signatures can be mimicked by astrophysical or instrumental causes. We show that velocity spectroscopy-the measurement of energy shifts induced by relative motion of source and observer-can separate these three causes with minimal theoretical uncertainties. The principal obstacle has been energy resolution, but upcoming experiments will have the precision needed. As an example, we show that the imminent Astro-H mission can use Milky Way observations to separate possible causes of the 3.5-keV line. We discuss other applications. PMID:26849582

  14. Dark Matter Velocity Spectroscopy.

    PubMed

    Speckhard, Eric G; Ng, Kenny C Y; Beacom, John F; Laha, Ranjan

    2016-01-22

    Dark matter decays or annihilations that produce linelike spectra may be smoking-gun signals. However, even such distinctive signatures can be mimicked by astrophysical or instrumental causes. We show that velocity spectroscopy-the measurement of energy shifts induced by relative motion of source and observer-can separate these three causes with minimal theoretical uncertainties. The principal obstacle has been energy resolution, but upcoming experiments will have the precision needed. As an example, we show that the imminent Astro-H mission can use Milky Way observations to separate possible causes of the 3.5-keV line. We discuss other applications.

  15. Spectroscopy of implants

    NASA Astrophysics Data System (ADS)

    Afanasyeva, Natalia I.

    1994-01-01

    The spectral criteria of selection of soft intraocular lens (IOL) implants of long service in an organism have been defined for ophthalmology. The analysis of Fourier Transform Infrared (FTIR) spectra provides the required and sufficient level of material polymerization for manufacturing non-toxic lenses for the eye. The spectral limits for determining the biocompatibility of samples can be related to the intensity ratio of two bands only in the FTIR spectra of siloxane. Siloxane-poly(urethane) block copolymers and other materials for implants have been studied. Passivated surfaces of implants have been obtained and registered by methods of Fourier Transform Spectroscopy.

  16. Standoff photo acoustic spectroscopy

    SciTech Connect

    Van Neste, Charles W; Senesac, Larry R; Thundat, Thomas George

    2008-01-01

    Here, we demonstrate a variation of photoacoustic spectroscopy that can be used for obtaining spectroscopic information of surface adsorbed chemicals in a standoff fashion. Pulsed light scattered from a target excites an acoustic resonator and the variation of the resonance amplitude as a function of illumination wavelength yields a representation of the absorption spectrum of the target. We report sensitive and selective detection of surface adsorbed compounds such as tributyl phosphate and residues of explosives such as trinitrotoluene at standoff distances ranging from 0.5-20 m, with a detection limit on the order of 100 ng/cm{sup 2}.

  17. Nanosecond fluorescence spectroscopy

    SciTech Connect

    Leskovar, B.

    1985-03-01

    This article is a summary of a short course lecture given in conjunction with the 1984 Nuclear Science Symposium. Measuring systems for nanosecond fluorescence spectroscopy using single-photon counting techniques are presented. These involve systems based on relaxation-type spark gap light pulser and synchronously pumped mode-locked dye lasers. Furthermore, typical characteristics and optimization of operating conditions of the critical components responsible for the system time resolution are discussed. A short comparison of the most important deconvolution methods for numerical analysis of experimental data is given particularly with respect to the signal-to-noise ratio of the fluorescence signal. 22 refs., 8 figs.

  18. Multiple quantum coherence spectroscopy.

    PubMed

    Mathew, Nathan A; Yurs, Lena A; Block, Stephen B; Pakoulev, Andrei V; Kornau, Kathryn M; Wright, John C

    2009-08-20

    Multiple quantum coherences provide a powerful approach for studies of complex systems because increasing the number of quantum states in a quantum mechanical superposition state increases the selectivity of a spectroscopic measurement. We show that frequency domain multiple quantum coherence multidimensional spectroscopy can create these superposition states using different frequency excitation pulses. The superposition state is created using two excitation frequencies to excite the symmetric and asymmetric stretch modes in a rhodium dicarbonyl chelate and the dynamic Stark effect to climb the vibrational ladders involving different overtone and combination band states. A monochromator resolves the free induction decay of different coherences comprising the superposition state. The three spectral dimensions provide the selectivity required to observe 19 different spectral features associated with fully coherent nonlinear processes involving up to 11 interactions with the excitation fields. The different features act as spectroscopic probes of the diagonal and off-diagonal parts of the molecular potential energy hypersurface. This approach can be considered as a coherent pump-probe spectroscopy where the pump is a series of excitation pulses that prepares a multiple quantum coherence and the probe is another series of pulses that creates the output coherence. PMID:19507812

  19. Nanowire Electron Scattering Spectroscopy

    NASA Technical Reports Server (NTRS)

    Hunt, Brian; Bronikowsky, Michael; Wong, Eric; VonAllmen, Paul; Oyafuso, Fablano

    2009-01-01

    Nanowire electron scattering spectroscopy (NESS) has been proposed as the basis of a class of ultra-small, ultralow-power sensors that could be used to detect and identify chemical compounds present in extremely small quantities. State-of-the-art nanowire chemical sensors have already been demonstrated to be capable of detecting a variety of compounds in femtomolar quantities. However, to date, chemically specific sensing of molecules using these sensors has required the use of chemically functionalized nanowires with receptors tailored to individual molecules of interest. While potentially effective, this functionalization requires labor-intensive treatment of many nanowires to sense a broad spectrum of molecules. In contrast, NESS would eliminate the need for chemical functionalization of nanowires and would enable the use of the same sensor to detect and identify multiple compounds. NESS is analogous to Raman spectroscopy, the main difference being that in NESS, one would utilize inelastic scattering of electrons instead of photons to determine molecular vibrational energy levels. More specifically, in NESS, one would exploit inelastic scattering of electrons by low-lying vibrational quantum states of molecules attached to a nanowire or nanotube.

  20. Wave mixing spectroscopy

    SciTech Connect

    Smith, R.W.

    1980-08-01

    Several new aspects of nonlinear or wave mixing spectroscopy were investigated utilizing the polarization properties of the nonlinear output field and the dependence of this field upon the occurrence of multiple resonances in the nonlinear susceptibility. First, it is shown theoretically that polarization-sensitive detection may be used to either eliminate or controllably reduce the nonresonant background in coherent anti-Stokes Raman spectroscopy, allowing weaker Raman resonances to be studied. The features of multi-resonant four-wave mixing are examined in the case of an inhomogeneously broadened medium. It is found that the linewidth of the nonlinear output narrows considerably (approaching the homogeneous width) when the quantum mechanical expressions for the doubly- and triply-resonant susceptibilities are averaged over a Doppler or strain broadened profile. Experimental studies of nonlinear processes in Pr/sup +3/:LaF/sub 3/ verify this linewidth narrowing, but indicate that this strain broadened system cannot be treated with a single broadening parameter as in the case of Doppler broadening in a gas. Several susceptibilities are measured from which are deduced dipole matrix elements and Raman polarizabilities related to the /sup 3/H/sub 4/, /sup 3/H/sub 6/, and /sup 3/P/sub 0/ levels of the praseodymium ions.

  1. Array-based photoacoustic spectroscopy

    DOEpatents

    Autrey, S. Thomas; Posakony, Gerald J.; Chen, Yu

    2005-03-22

    Methods and apparatus for simultaneous or sequential, rapid analysis of multiple samples by photoacoustic spectroscopy are disclosed. A photoacoustic spectroscopy sample array including a body having at least three recesses or affinity masses connected thereto is used in conjunction with a photoacoustic spectroscopy system. At least one acoustic detector is positioned near the recesses or affinity masses for detection of acoustic waves emitted from species of interest within the recesses or affinity masses.

  2. Photoelectron photoion molecular beam spectroscopy

    SciTech Connect

    Trevor, D.J.

    1980-12-01

    The use of supersonic molecular beams in photoionization mass spectroscopy and photoelectron spectroscopy to assist in the understanding of photoexcitation in the vacuum ultraviolet is described. Rotational relaxation and condensation due to supersonic expansion were shown to offer new possibilities for molecular photoionization studies. Molecular beam photoionization mass spectroscopy has been extended above 21 eV photon energy by the use of Stanford Synchrotron Radiation Laboratory (SSRL) facilities. Design considerations are discussed that have advanced the state-of-the-art in high resolution vuv photoelectron spectroscopy. To extend gas-phase studies to 160 eV photon energy, a windowless vuv-xuv beam line design is proposed.

  3. Nuclear resonant spectroscopy

    NASA Astrophysics Data System (ADS)

    Sturhahn, Wolfgang

    2004-02-01

    Nuclear resonant scattering techniques with synchrotron radiation (SR) are introduced on a basic level. We focus on the theoretical background and on experimental aspects of two popular methods with a widening range of applications, nuclear resonant inelastic x-ray scattering and synchrotron Mössbauer spectroscopy. The inelastic method provides specific vibrational information, e.g., the phonon density of states. The Mössbauer method permits determination of hyperfine interactions. All nuclear resonance techniques take full advantage of the unique properties of SR: intensity, collimation, time structure, and polarization. As a result both methods discussed here have led to novel applications for materials under extreme conditions, proteins with biological functionality, and magnetic nanostructures.

  4. Resonant ultrasound spectroscopy

    DOEpatents

    Migliori, Albert

    1991-01-01

    A resonant ultrasound spectroscopy method provides a unique characterization of an object for use in distinguishing similar objects having physical differences greater than a predetermined tolerance. A resonant response spectrum is obtained for a reference object by placing excitation and detection transducers at any accessible location on the object. The spectrum is analyzed to determine the number of resonant response peaks in a predetermined frequency interval. The distribution of the resonance frequencies is then characterized in a manner effective to form a unique signature of the object. In one characterization, a small frequency interval is defined and stepped though the spectrum frequency range. Subsequent objects are similarly characterized where the characterizations serve as signatures effective to distinguish objects that differ from the reference object by more than the predetermined tolerance.

  5. Transient infrared transmission spectroscopy

    SciTech Connect

    Jones, R.W.; McClelland, J.F. )

    1990-10-15

    Transient infrared transmission spectroscopy is a new method that can acquire analytically useful transmission spectra from moving, optically thick solids. No sample preparation is required. The spectra are of sufficient quality for accurate quantitative compositional analysis. The method works by the creation of a thin, short-lived, chilled layer at the sample surface. Blackbody-like thermal emission from the bulk of the sample is selectively absorbed as it passes through the chilled layer, so the transmission spectrum of the layer is superimposed on the observed thermal emission. Spectra of polycarbonate, beeswax, and copolymers of methyl and butyl methacrylate are presented. Compositional analysis of the methacrylate copolymers with a standard error or prediction of only 0.87 mol % is demonstrated.

  6. Transient infrared transmission spectroscopy.

    PubMed

    Jones, R W; McClelland, J F

    1990-10-15

    Transient infrared transmission spectroscopy is a new method that can acquire analytically useful transmission spectra from moving, optically thick solids. No sample preparation is required. The spectra are of sufficient quality for accurate quantitative compositional analysis. The method works by the creation of a thin, short-lived, chilled layer at the sample surface. Blackbody-like thermal emission from the bulk of the sample is selectively absorbed as it passes through the chilled layer, so the transmission spectrum of the layer is superimposed on the observed thermal emission. Spectra of polycarbonate, beeswax, and copolymers of methyl and butyl methacrylate are presented. Compositional analysis of the methacrylate copolymers with a standard error of prediction of only 0.87 mol % is demonstrated.

  7. Quantitative velocity modulation spectroscopy

    NASA Astrophysics Data System (ADS)

    Hodges, James N.; McCall, Benjamin J.

    2016-05-01

    Velocity Modulation Spectroscopy (VMS) is arguably the most important development in the 20th century for spectroscopic study of molecular ions. For decades, interpretation of VMS lineshapes has presented challenges due to the intrinsic covariance of fit parameters including velocity modulation amplitude, linewidth, and intensity. This limitation has stifled the growth of this technique into the quantitative realm. In this work, we show that subtle changes in the lineshape can be used to help address this complexity. This allows for determination of the linewidth, intensity relative to other transitions, velocity modulation amplitude, and electric field strength in the positive column of a glow discharge. Additionally, we explain the large homogeneous component of the linewidth that has been previously described. Using this component, the ion mobility can be determined.

  8. Hadron spectroscopy at RHIC

    SciTech Connect

    Chung, S.U.; Kern, W.; Willutzki, H.J.

    1990-08-01

    A description is given of the physics opportunities at RHIC regarding quark-gluon spectroscopy. The basic idea is to isolate with appropriate triggers the subprocesses pomeron + pomeron {yields} hadrons and {gamma}* + {gamma}* {yields} hadrons with the net effective mass of hadrons in the range of 1.0 to 3.0 GeV, in order to study the hadronic states composed of u, d, and s and gluons. The double-pomeron interactions are expected to produce glueballs and hybrids preferentially, while the two-offshell-photon initial states should couple predominantly to quarkonia and multiquark states. A plethora of J{sup PC}-exotic mesons can be produced either directly in both types of interactions or in association with a single recoil photon in the final state. 8 refs., 2 figs.

  9. Electron spectroscopy analysis

    NASA Technical Reports Server (NTRS)

    Gregory, John C.

    1992-01-01

    The Surface Science Laboratories at the University of Alabama in Huntsville (UAH) are equipped with x-ray photoelectron spectroscopy (XPS or ESCA) and Auger electron spectroscopy (AES) facilities. These techniques provide information from the uppermost atomic layers of a sample, and are thus truly surface sensitive. XPS provides both elemental and chemical state information without restriction on the type of material that can be analyzed. The sample is placed into an ultra high vacuum (UHV) chamber and irradiated with x-rays which cause the ejection of photoelectrons from the sample surface. Since x-rays do not normally cause charging problems or beam damage, XPS is applicable to a wide range of samples including metals, polymers, catalysts, and fibers. AES uses a beam of high energy electrons as a surface probe. Following electronic rearrangements within excited atoms by this probe, Auger electrons characteristic of each element present are emitted from the sample. The main advantage of electron induced AES is that the electron beam can be focused down to a small diameter and localized analysis can be carried out. On the rastering of this beam synchronously with a video display using established scanning electron microscopy techniques, physical images and chemical distribution maps of the surface can be produced. Thus very small features, such as electronic circuit elements or corrosion pits in metals, can be investigated. Facilities are available on both XPS and AES instruments for depth-profiling of materials, using a beam of argon ions to sputter away consecutive layers of material to reveal sub-surface (and even semi-bulk) analyses.

  10. Automated Mössbauer spectroscopy in the field and monitoring of fougerite

    NASA Astrophysics Data System (ADS)

    Rodionov, D.; Klingelhöfer, G.; Bernhardt, B.; Schröder, C.; Blumers, M.; Kane, S.; Trolard, F.; Bourrie, G.; Génin, J.-M. R.

    A special experimental setup for in-field applications was developed at Mainz. It incorporates hardware for automated positioning of the Mossbauer sensor head, a Plexiglas tube, and a modified version of the space proven Miniaturized Mossbauer Spectrometer MIMOS II (Klingelhofer et aI., Science, 306:1740-1745, 2004; Klingelhofer et aI., J. Geophys. Res., 108(E12):8067, 2003; Klingelhöfer et aI., Hyperfine Interact. 144/145:371-379, 2002; Génin et al., Solid State Sci., 7:545-572, 2005). MIMOS operates in backscattering geometry, thus no sample preparation is required. Also dedicated software for running measurement sequences (e.g., different depth positions at different times etc.) was developed. The setup can work autonomously up to several weeks in the field. Preliminary results confirm that fougerite mineral found in hydromorphic soils is Fell-III hydroxycarbonate green rust.

  11. Infrared heterodyne spectroscopy in astronomy

    NASA Technical Reports Server (NTRS)

    Betz, A.

    1980-01-01

    A heterodyne spectrometer was constructed and applied to problems in infrared astronomical spectroscopy. The instrument offers distinct observational advantages for the detection and analysis of individual spectral lines at Doppler-limited resolution. Observations of carbon dioxide in planetary atmospheres and ammonia in circumstellar environments demonstrate the substantial role that infrared heterodyne techniques will play in the astronomical spectroscopy of the future.

  12. An Introductory Infrared Spectroscopy Experiment.

    ERIC Educational Resources Information Center

    Hess, Kenneth R.; Smith, Wendy D.; Thomsen, Marcus W.; Yoder, Claude H.

    1995-01-01

    Describes a project designed to introduce infrared spectroscopy as a structure-determination technique. Students are introduced to infrared spectroscopy fundamentals then try to determine the identity of an unknown liquid from its infrared spectrum and molecular weight. The project demonstrates that only rarely can the identity of even simple…

  13. Spectroscopy, Understanding the Atom Series.

    ERIC Educational Resources Information Center

    Hellman, Hal

    This booklet is one of the "Understanding the Atom" Series. The science of spectroscopy is presented by a number of topics dealing with (1) the uses of spectroscopy, (2) its origin and background, (3) the basic optical systems of spectroscopes, spectrometers, and spectrophotometers, (4) the characteristics of wave motion, (5) the electromagnetic…

  14. Wavelength-modulated photocapacitance spectroscopy

    NASA Technical Reports Server (NTRS)

    Kamieniecki, E.; Lagowski, J.; Gatos, H. C.

    1980-01-01

    Derivative deep-level spectroscopy was achieved with wavelength-modulated photocapacitance employing MOS structures and Schottky barriers. The energy position and photoionization characteristics of deep levels of melt-grown GaAs and the Cr level in high-resistivity GaAs were determined. The advantages of this method over existing methods for deep-level spectroscopy are discussed.

  15. The light meson spectroscopy program

    SciTech Connect

    Smith, Elton S.

    2014-06-01

    Recent discoveries of a number of unexpected new charmomium-like meson states at the BaBar and Belle B-factories have demonstrated how little is still known about meson spectroscopy. In this talk we will review recent highlights of the light quark spectroscopy from collider and fixed target experiments.

  16. Meson spectroscopy at the Tevatron

    SciTech Connect

    Yi, Kai

    2010-04-01

    The Tevatron experiments have each accumulated about 6 fb{sup -1} good data since the start of RUN II. This large dataset provided good opportunities for meson spectroscopy studies at the Tevatron. This article will cover the recent new {Upsilon}(nS) polarization studies as well as exotic meson spectroscopy studies.

  17. Laser Spectroscopy and Frequency Combs

    NASA Astrophysics Data System (ADS)

    Hänsch, Theodor W.; Picqué, Nathalie

    2013-12-01

    The spectrum of a frequency comb, commonly generated by a mode-locked femtosecond laser consists of several hundred thousand precisely evenly spaced spectral lines. Such laser frequency combs have revolutionized the art measuring the frequency of light, and they provide the long-missing clockwork for optical atomic clocks. The invention of the frequency comb technique has been motivated by precision laser spectroscopy of the simple hydrogen atom. The availability of commercial instruments is facilitating the evolution of new applications far beyond the original purpose. Laser combs are becoming powerful instruments for broadband molecular spectroscopy by dramatically improving the resolution and recording speed of Fourier spectrometers and by creating new opportunities for highly multiplexed nonlinear spectroscopy, such as two-photon spectroscopy or coherent Raman spectroscopy. Other emerging applications of frequency combs range from fundamental research in astronomy, chemistry, or attosecond science to telecommunications and satellite navigation.

  18. Spectroscopy from Space

    NASA Astrophysics Data System (ADS)

    Clark, R. N.; Swayze, G. A.; Carlson, R.; Grundy, W.; Noll, K.

    2014-01-01

    This chapter reviews detection of materials on solid and liquid (lakes and ocean) surfaces in the solar system using ultraviolet to infrared spectroscopy from space, or near space (high altitude aircraft on the Earth), or in the case of remote objects, earth-based and earth-orbiting telescopes. Point spectrometers and imaging spectrometers have been probing the surfaces of our solar system for decades. Spacecraft carrying imaging spectrometers are currently in orbit around Mercury, Venus, Earth, Mars, and Saturn, and systems have recently visited Jupiter, comets, asteroids, and one spectrometer-carrying spacecraft is on its way to Pluto. Together these systems are providing a wealth of data that will enable a better understanding of the composition of condensed matter bodies in the solar system. Minerals, ices, liquids, and other materials have been detected and mapped on the Earth and all planets and/or their satellites where the surface can be observed from space, with the exception of Venus whose thick atmosphere limits surface observation. Basaltic minerals (e.g., pyroxene and olivine) have been detected with spectroscopy on the Earth, Moon, Mars and some asteroids. The greatest mineralogic diversity seen from space is observed on the Earth and Mars. The Earth, with oceans, active tectonic and hydrologic cycles, and biological processes, displays the greatest material diversity including the detection of amorphous and crystalline inorganic materials, organic compounds, water and water ice. Water ice is a very common mineral throughout the Solar System and has been unambiguously detected or inferred in every planet and/or their moon(s) where good spectroscopic data has been obtained. In addition to water ice, other molecular solids have been observed in the solar system using spectroscopic methods. Solid carbon dioxide is found on all systems beyond the Earth except Pluto, although CO2 sometimes appears to be trapped in other solids rather than as an ice on some

  19. Operando fuel cell spectroscopy

    NASA Astrophysics Data System (ADS)

    Kendrick, Ian Michael

    The active state of a catalyst only exists during catalysis (1) provided the motivation for developing operando spectroscopic techniques. A polymer electrolyte membrane fuel cell (PEMFC) was designed to interface with commercially available instruments for acquisition of infrared spectra of the catalytic surface of the membrane electrode assembly (MEA) during normal operation. This technique has provided insight of the complex processes occurring at the electrode surface. Nafion, the solid electrolyte used in most modern-day polymer electrolyte membrane fuel cells (PEMFC), serves many purposes in fuel cell operation. However, there is little known of the interface between Nafion and the electrode surface. Previous studies of complex Stark tuning curves of carbon monoxide on the surface of a platinum electrode were attributed the co-adsorption of bisulfite ions originating from the 0.5M H2SO4 electrolyte used in the study(2). Similar tuning curves obtained on a fuel cell MEA despite the absence of supplemental electrolytes suggest the adsorption of Nafion onto platinum (3). The correlation of spectra obtained using attenuated total reflectance spectroscopy (ATR) and polarization modulated IR reflection-absorption spectroscopy (PM-IRRAS) to a theoretical spectrum generated using density functional theory (DFT) lead to development of a model of Nafion and platinum interaction which identified participation of the SO3- and CF3 groups in Nafion adsorption. The use of ethanol as a fuel stream in proton exchange membrane fuel cells provides a promising alternative to methanol. Relative to methanol, ethanol has a greater energy density, lower toxicity and can be made from the fermentation of biomass(4). Operando IR spectroscopy was used to study the oxidation pathway of ethanol and Stark tuning behavior of carbon monoxide on Pt, Ru, and PtRu electrodes. Potential dependent products such as acetaldehyde, acetic acid and carbon monoxide are identified as well as previously

  20. Observation of the Fe—CN and Fe—CO Vibrations in the Active Site of [NiFe] Hydrogenase by Nuclear Resonance Vibrational Spectroscopy**

    PubMed Central

    Kamali, Saeed; Wang, Hongxin; Mitra, Devrani; Ogata, Hideaki; Manor, Brian C.; Rauchfuss, Thomas B.; Byrne, Deborah; Bonnefoy, Violaine; Jenney, Francis E.; Adams, Michael W. W.; Yoda, Yoshitaka; Alp, Ercan; Zhao, Jiyong; Cramer, Stephen P.

    2012-01-01

    Nuclear inelastic scattering of 57Fe labeled [NiFe] hydrogenase is shown to give information on different states of the enzyme. It was thus possible to detect and assign Fe–CO and Fe–CN bending and stretching vibrations of the active site outside the spectral range of the Fe–S cluster normal modes. PMID:23136119

  1. Relic Neutrino Absorption Spectroscopy

    SciTech Connect

    Eberle, b

    2004-01-28

    Resonant annihilation of extremely high-energy cosmic neutrinos on big-bang relic anti-neutrinos (and vice versa) into Z-bosons leads to sizable absorption dips in the neutrino flux to be observed at Earth. The high-energy edges of these dips are fixed, via the resonance energies, by the neutrino masses alone. Their depths are determined by the cosmic neutrino background density, by the cosmological parameters determining the expansion rate of the universe, and by the large redshift history of the cosmic neutrino sources. We investigate the possibility of determining the existence of the cosmic neutrino background within the next decade from a measurement of these absorption dips in the neutrino flux. As a by-product, we study the prospects to infer the absolute neutrino mass scale. We find that, with the presently planned neutrino detectors (ANITA, Auger, EUSO, OWL, RICE, and SalSA) operating in the relevant energy regime above 10{sup 21} eV, relic neutrino absorption spectroscopy becomes a realistic possibility. It requires, however, the existence of extremely powerful neutrino sources, which should be opaque to nucleons and high-energy photons to evade present constraints. Furthermore, the neutrino mass spectrum must be quasi-degenerate to optimize the dip, which implies m{sub {nu}} 0.1 eV for the lightest neutrino. With a second generation of neutrino detectors, these demanding requirements can be relaxed considerably.

  2. Vibrational Echo Correlation Spectroscopy

    NASA Astrophysics Data System (ADS)

    Asbury, John B.; Steinel, Tobias; Fayer, M. D.

    Multidimensional vibrational echo correlation spectroscopy with full phase resolution is used to measure hydrogen bond dynamics in water and methanol. The OD hydroxyl stretches of methanol-OD oligomers in CCl4 and HOD inH2O are studied using the shortest mid-IR pulses (< 45 fs, < 4 cycles of light) produced to date. The pulses have sufficient spectral bandwidth to span the very broad (> 400 cm-1) spectrum of the 0-1 and 1-2 vibrational transitions. Hydrogen bond population dynamics are extricated with exceptional detail in MeOD oligomers because the different hydrogen-bonded species are spectrally distinct. The experimental results along with detailed calculations indicate the strongest hydrogen bonds are selectively broken through a non-equilibrium relaxation pathway following vibrational relaxation of the hydroxyl stretch. Following hydrogen bond breaking, the broken MeOD oligomers retain a detailed structural memory of the prior intact hydrogen bond network. The correlation spectra are also a sensitive probe of the structural fluctuations in water and provide a stringent test of water models that are widely used in simulations of aqueous systems. The analysis of the 2D band shapes demonstrates that different hydrogen-bonded species are subject to distinct (wavelength-dependent) ultrafast (˜ 100 fs) local fluctuations and essentially identical slower (0.4 ps and ˜ 2 ps) structural rearrangements. Observation of wavelength-dependent dynamics demonstrates that standard theoretical approaches assuming Gaussian fluctuations cannot adequately describe water dynamics.

  3. Why Spectroscopy Went South

    NASA Astrophysics Data System (ADS)

    Mills Boyd, Nora

    2015-01-01

    All but forgotten, the first observatory established for astrophysical research in Chile sits atop Cerro San Cristóbal overlooking downtown Santiago. Now called the Manuel Foster Observatory and cared for by the Pontificia Universidad Católica de Chile, the equipment was originally brought to the country by staff of the Lick Observatory in California at the outset of the 20th century under the auspices of the D. O. Mills Expedition. The present paper explores the initial motivation for the expedition. Partial insight can be gained by situating the establishment of the observatory in the context of the so-called 'sidereal problem'—mapping the structure of the stellar system. However, the motivation for this expedition can be further elucidated by understanding the possibilities afforded by the instruments of the 'new astronomy'. Astronomical spectroscopy opened up new observational prospects that turn of the century astronomers simply exploited opportunistically. Understanding the motivation for the observatory will not only be important background for any comprehensive history of the observatory, but also serves to illuminate the exploratory approach characteristic of American astronomers in the early days of astrophysics.

  4. Taurid Compex reflectance spectroscopy

    NASA Astrophysics Data System (ADS)

    Birlan, M.; Popescu, M.; Nedelcu, A.

    2014-07-01

    The Taurid complex is a massive stream of material in the inner part of the Solar System. Its name is related to the Taurid meteor shower. This complex is characterized by a cluster of objects having low-inclination (i < 12°), large-eccentricity (0.64--0.85) orbits with semimajor axes spanning the range 1.8--2.6 au. The largest body of the Taurid Complex is the comet P/Encke, and this complex contains more than 20 near-Earth asteroids (NEAs). There is an important lack of information concerning the physical parameters of the Taurid complex. The observational campaign for observing NEAs of the Taurid complex was started in 2011 in order to provide valuable spectroscopic data for characterizing the surfaces of the complex members. The paper presents near-infrared spectroscopy using IRTF/SpeX obtained remotely from Paris Observatory and Bucharest Observatory for the following asteroids: (2201) Oljato, (4183) Cuno, (4486) Mithra, (5243) Heracles, (6063) Jason, and (269690) 1996 RG_3. We will present a detailed analysis of these spectra which allows their association with several minerals and laboratory spectra of meteorites.

  5. Variable angle correlation spectroscopy

    SciTech Connect

    Lee, Y K

    1994-05-01

    In this dissertation, a novel nuclear magnetic resonance (NMR) technique, variable angle correlation spectroscopy (VACSY) is described and demonstrated with {sup 13}C nuclei in rapidly rotating samples. These experiments focus on one of the basic problems in solid state NMR: how to extract the wealth of information contained in the anisotropic component of the NMR signal while still maintaining spectral resolution. Analysis of the anisotropic spectral patterns from poly-crystalline systems reveal information concerning molecular structure and dynamics, yet in all but the simplest of systems, the overlap of spectral patterns from chemically distinct sites renders the spectral analysis difficult if not impossible. One solution to this problem is to perform multi-dimensional experiments where the high-resolution, isotropic spectrum in one dimension is correlated with the anisotropic spectral patterns in the other dimensions. The VACSY technique incorporates the angle between the spinner axis and the static magnetic field as an experimental parameter that may be incremented during the course of the experiment to help correlate the isotropic and anisotropic components of the spectrum. The two-dimensional version of the VACSY experiments is used to extract the chemical shift anisotropy tensor values from multi-site organic molecules, study molecular dynamics in the intermediate time regime, and to examine the ordering properties of partially oriented samples. The VACSY technique is then extended to three-dimensional experiments to study slow molecular reorientations in a multi-site polymer system.

  6. Raman Spectroscopy of Cocrystals

    NASA Astrophysics Data System (ADS)

    Rooney, Frank; Reardon, Paul; Ochoa, Romulo; Abourahma, Heba; Marti, Marcus; Dimeo, Rachel

    2010-02-01

    Cocrystals are a class of compounds that consist of two or more molecules that are held together by hydrogen bonding. Pharmaceutical cocrystals are those that contain an active pharmaceutical ingredient (API) as one of the components. Pharmaceutical cocrystals are of particular interest and have gained a lot of attention in recent years because they offer the ability to modify the physical properties of the API, like solubility and bioavailability, without altering the chemical structure of the API. The APIs that we targeted for our studies are theophylline (Tp) and indomethacin (Ind). These compounds have been mixed with complementary coformers (cocrystal former) that include acetamide (AcONH2), melamine (MLM), nicotinic acid (Nic-COOH), 4-cyanopyridine (4-CNPy) and 4-aminopyridine (4-NH2Py). Raman spectroscopy has been used to characterize these cocrystals. Spectra of the cocrystals were compared to those of the coformers to analyze for peak shifts, specifically those corresponding to hydrogen bonding. A 0.5 m CCD Spex spectrometer was used, in a micro-Raman setup, for spectral analysis. An Argon ion Coherent laser at 514.5 nm was used as the excitation source. )

  7. Resonance Raman spectroscopy.

    PubMed

    Li, Jiang; Kitagawa, Teizo

    2014-01-01

    Flavin is a general name given to molecules having the heteroaromatic ring system of 7,8-dimethylisoalloxazine but practically means riboflavin (Rfl), flavin adenine dinucleotide (FAD), and flavin mononucleotide (FMN) in biological systems, whose structures are illustrated in Fig. 1, together with the atomic numbering scheme and ring numbering of the isoalloxazine moiety. As the isoalloxazine skeleton cannot be synthesized in human cells, it is obtained from diet as Rfl (vitamin B2). FAD and FMN can act as cofactors in flavoenzymes but Rfl does not. Most flavoenzymes catalyze redox reactions of substrates (Miura, Chem Rec 1:183-194, 2001). When O2 serves as the oxidant in the oxidation half cycle of an enzymic reaction, the enzyme is called "flavo-oxidase" but when others do, the enzyme is called "flavo-dehydrogenase." The difference between the two types of oxidative catalysis arises from delicate differences in the π-electron distributions in the isoalloxazine ring, which can be revealed by Raman spectroscopy (Miura, Chem Rec 1:183-194, 2001). Since a flavin is an extremely versatile molecule, the scientific field including chemistry, biochemistry, and enzymology is collectively called "flavonology." It was found recently, however, that the flavin also acts as a chromophore to initiate light-induced DNA repair and signal transductions (Sancar, Chem Rev 103:2203-2237, 2003).

  8. Electron spectroscopy of iron disilicide

    NASA Astrophysics Data System (ADS)

    Parshin, A. S.; Igumenov, A. Yu.; Mikhlin, Yu. L.; Pchelyakov, O. P.; Zhigalov, V. S.

    2016-09-01

    We have reported on the results of a complex investigation of iron disilicide FeSi2 using characteristic electron energy loss spectroscopy, inelastic electron scattering cross section spectroscopy, and X-ray photoelectron spectroscopy. It has been shown that the main peak in the spectra of inelastic electron scattering for FeSi2 is a superposition of two unresolved peaks, viz., surface and bulk plasmons. An analysis of the fine structure of the spectra of inelastic electron scattering cross section by their decomposition into Lorentzlike Tougaard peaks has made it possible to quantitatively estimate the contributions of individual energy loss processes to the resulting spectrum and determine their origin and energy.

  9. Photoelectron Spectroscopy for Chemical Analysis.

    PubMed

    Rensmo, Håkan; Siegbahn, Hans

    2015-01-01

    Photoelectron spectroscopy started its modern development in the fifties based on techniques for studies of nuclear decay. Since then, photoelectron spectroscopy has undergone a dramatic expansion of application and is now a prime research tool in basic and applied science. This progress has been largely due to the concomitant development of photon sources, sample handling and electron energy analyzers. The present article describes some of the salient features of modern photoelectron spectroscopy and its applications with particular emphasis on energy relevant issues. PMID:26507085

  10. Fe-57 Mössbauer Study of the Murrili Ordinary Chondrite

    NASA Astrophysics Data System (ADS)

    Cadogan, J. M.; Bland, P. A.; Benedix, G. K.; Towner, M. C.; Sansom, E. K.; Devillepoix, H.; Howie, R. M.; Paxman, J. P.; Cupak, M.; Cox, M. A.; Jansen-Sturgeon, T.; Stuart, D.; Strangway, D.

    2016-08-01

    The Murrili meteorite fell in Lake Eyre South, South Australia, after being imaged and located by the Desert Fireball Network. It displays an unusual heterogeneous weathering throughout the stone, here quantified using 57Fe Mössbauer spectroscopy.

  11. Broadband Transmission EPR Spectroscopy

    PubMed Central

    Hagen, Wilfred R.

    2013-01-01

    EPR spectroscopy employs a resonator operating at a single microwave frequency and phase-sensitive detection using modulation of the magnetic field. The X-band spectrometer is the general standard with a frequency in the 9–10 GHz range. Most (bio)molecular EPR spectra are determined by a combination of the frequency-dependent electronic Zeeman interaction and a number of frequency-independent interactions, notably, electron spin – nuclear spin interactions and electron spin – electron spin interactions, and unambiguous analysis requires data collection at different frequencies. Extant and long-standing practice is to use a different spectrometer for each frequency. We explore the alternative of replacing the narrow-band source plus single-mode resonator with a continuously tunable microwave source plus a non-resonant coaxial transmission cell in an unmodulated external field. Our source is an arbitrary wave digital signal generator producing an amplitude-modulated sinusoidal microwave in combination with a broadband amplifier for 0.8–2.7 GHz. Theory is developed for coaxial transmission with EPR detection as a function of cell dimensions and materials. We explore examples of a doublet system, a high-spin system, and an integer-spin system. Long, straigth, helical, and helico-toroidal cells are developed and tested with dilute aqueous solutions of spin label hydroxy-tempo. A detection limit of circa 5 µM HO-tempo in water at 800 MHz is obtained for the present setup, and possibilities for future improvement are discussed. PMID:23555819

  12. Precision Spectroscopy of Tellurium

    NASA Astrophysics Data System (ADS)

    Coker, J.; Furneaux, J. E.

    2013-06-01

    Tellurium (Te_2) is widely used as a frequency reference, largely due to the fact that it has an optical transition roughly every 2-3 GHz throughout a large portion of the visible spectrum. Although a standard atlas encompassing over 5200 cm^{-1} already exists [1], Doppler broadening present in that work buries a significant portion of the features [2]. More recent studies of Te_2 exist which do not exhibit Doppler broadening, such as Refs. [3-5], and each covers different parts of the spectrum. This work adds to that knowledge a few hundred transitions in the vicinity of 444 nm, measured with high precision in order to improve measurement of the spectroscopic constants of Te_2's excited states. Using a Fabry Perot cavity in a shock-absorbing, temperature and pressure regulated chamber, locked to a Zeeman stabilized HeNe laser, we measure changes in frequency of our diode laser to ˜1 MHz precision. This diode laser is scanned over 1000 GHz for use in a saturated-absorption spectroscopy cell filled with Te_2 vapor. Details of the cavity and its short and long-term stability are discussed, as well as spectroscopic properties of Te_2. References: J. Cariou, and P. Luc, Atlas du spectre d'absorption de la molecule de tellure, Laboratoire Aime-Cotton (1980). J. Coker et al., J. Opt. Soc. Am. B {28}, 2934 (2011). J. Verges et al., Physica Scripta {25}, 338 (1982). Ph. Courteille et al., Appl. Phys. B {59}, 187 (1994) T.J. Scholl et al., J. Opt. Soc. Am. B {22}, 1128 (2005).

  13. PAH FIR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Mattioda, Andrew; Ricca, A.; Tucker, J.; Bauschlicher, C., Jr.; Allamandola, L.

    2009-01-01

    The mid-IR spectra of a majority of astronomical sources are dominated by emission features near 3.3, 6.2, 7.7, and 11.2 µm. These features, formerly referred to as the Unidentified Infrared (UIR) Bands, are now generally thought to originate in free polycyclic aromatic hydrocarbon (PAH) molecules and closely related species. In addition to dominating the 3-20 µm region of the spectrum, they carry some 20-40% of the total IR luminosity from most of these objects. PAHs dominate the mid-IR emission from many galactic and extragalactic objects. As such, this material tracks a wide variety of astronomical processes, making this spectrum a powerful probe of the cosmos Apart from bands in the mid-IR, PAHs have bands spanning the Far-IR (20 to 1000 mm) and these FIR features should be present in astronomical sources. However, with one exception, the FIR spectral characteristics are known only for a few neutral small PAHs trapped in salt pellets or oils at room temperature, data which is not relevant to astrophysics. Furthermore, since most emitting PAHs responsible for the mid-IR astronomical features are ionized, the absence of any experimental or theoretical PAH ion FIR spectra will make it impossible to correctly interpret the FIR data from these objects. In view of the upcoming Herschel space telescope mission and SOFIA's FIR airborne instrumentation, which will pioneer the FIR region, it is now urgent to obtain PAH FIR spectra. This talk will present an overview of the FIR spectroscopy of PAHs.

  14. Ring resonant cavities for spectroscopy

    DOEpatents

    Zare, Richard N.; Martin, Juergen; Paldus, Barbara A.; Xie, Jinchun

    1999-01-01

    Ring-shaped resonant cavities for spectroscopy allow a reduction in optical feedback to the light source, and provide information on the interaction of both s- and p-polarized light with samples. A laser light source is locked to a single cavity mode. An intracavity acousto-optic modulator may be used to couple light into the cavity. The cavity geometry is particularly useful for Cavity Ring-Down Spectroscopy (CRDS).

  15. Ring resonant cavities for spectroscopy

    DOEpatents

    Zare, R.N.; Martin, J.; Paldus, B.A.; Xie, J.

    1999-06-15

    Ring-shaped resonant cavities for spectroscopy allow a reduction in optical feedback to the light source, and provide information on the interaction of both s- and p-polarized light with samples. A laser light source is locked to a single cavity mode. An intracavity acousto-optic modulator may be used to couple light into the cavity. The cavity geometry is particularly useful for Cavity Ring-Down Spectroscopy (CRDS). 6 figs.

  16. Airborne Submillimeter Spectroscopy

    NASA Technical Reports Server (NTRS)

    Zmuidzinas, J.

    1998-01-01

    This is the final technical report for NASA-Ames grant NAG2-1068 to Caltech, entitled "Airborne Submillimeter Spectroscopy", which extended over the period May 1, 1996 through January 31, 1998. The grant was funded by the NASA airborne astronomy program, during a period of time after the Kuiper Airborne Observatory was no longer operational. Instead. this funding program was intended to help develop instrument concepts and technology for the upcoming SOFIA (Stratospheric Observatory for Infrared Astronomy) project. SOFIA, which is funded by NASA and is now being carried out by a consortium lead by USRA (Universities Space Research Association), will be a 747 aircraft carrying a 2.5 meter diameter telescope. The purpose of our grant was to fund the ongoing development of sensitive heterodyne receivers for the submillimeter band (500-1200 GHz), using sensitive superconducting (SIS) detectors. In 1997 July we submitted a proposal to USRA to construct a heterodyne instrument for SOFIA. Our proposal was successful [1], and we are now continuing our airborne astronomy effort with funding from USRA. A secondary purpose of the NAG2-1068 grant was to continue the anaIN'sis of astronomical data collected with an earlier instrument which was flown on the NASA Kuiper Airborne Observatory (KAO). The KAO instrument and the astronomical studies which were carried out with it were supported primarily under another grant, NAG2-744, which extended over October 1, 1991 through Januarv 31, 1997. For a complete description of the astronomical data and its anailysis, we refer the reader to the final technical report for NAG2-744, which was submitted to NASA on December 1. 1997. Here we report on the SIS detector development effort for SOFIA carried out under NAG2-1068. The main result of this effort has been the demonstration of SIS mixers using a new superconducting material niobium titanium nitride (NbTiN), which promises to deliver dramatic improvements in sensitivity in the 700

  17. EPR and Mössbauer spectroscopy of intact mitochondria isolated from Yah1p-depleted Saccharomyces cerevisiae.

    PubMed

    Miao, Ren; Martinho, Marlène; Morales, Jessica Garber; Kim, Hansoo; Ellis, E Ann; Lill, Roland; Hendrich, Michael P; Münck, Eckard; Lindahl, Paul A

    2008-09-16

    Yah1p, an [Fe 2S 2]-containing ferredoxin located in the matrix of Saccharomyces cerevisiae mitochondria, functions in the synthesis of Fe/S clusters and heme a prosthetic groups. EPR, Mossbauer spectroscopy, and electron microscopy were used to characterize the Fe that accumulates in Yah1p-depleted isolated intact mitochondria. Gal- YAH1 cells were grown in standard rich media (YPD and YPGal) under O 2 or argon atmospheres. Mitochondria were isolated anaerobically, then prepared in the as-isolated redox state, the dithionite-treated state, and the O 2-treated state. The absence of strong EPR signals from Fe/S clusters when Yah1p was depleted confirms that Yah1p is required in Fe/S cluster assembly. Yah1p-depleted mitochondria, grown with O 2 bubbling through the media, accumulated excess Fe (up to 10 mM) that was present as 2-4 nm diameter ferric nanoparticles, similar to those observed in mitochondria from yfh1Delta cells. These particles yielded a broad isotropic EPR signal centered around g = 2, characteristic of superparamagnetic relaxation. Treatment with dithionite caused Fe (3+) ions of the nanoparticles to become reduced and largely exported from the mitochondria. Fe did not accumulate in mitochondria isolated from cells grown under Ar; a significant portion of the Fe in these organelles was in the high-spin Fe (2+) state. This suggests that the O 2 used during growth of Gal- YAH1 cells is responsible, either directly or indirectly, for Fe accumulation and for oxidizing Fe (2+) --> Fe (3+) prior to aggregation. Models are proposed in which the accumulation of ferric nanoparticles is caused either by the absence of a ligand that prevents such precipitation in wild-type mitochondria or by a more oxidizing environment within the mitochondria of Yah1p-depleted cells exposed to O 2. The efficacy of reducing accumulated Fe along with chelating it should be considered as a strategy for its removal in diseases involving such accumulations. PMID:18717590

  18. TIME-RESOLVED VIBRATIONAL SPECTROSCOPY

    SciTech Connect

    Andrei Tokmakoff, MIT; Paul Champion, Northeastern University; Edwin J. Heilweil, NIST; Keith A. Nelson, MIT; Larry Ziegler, Boston University

    2009-05-14

    This document contains the Proceedings from the 14th International Conference on Time-Resolved Vibrational Spectroscopy, which was held in Meredith, NH from May 9-14, 2009. The study of molecular dynamics in chemical reaction and biological processes using time-resolved spectroscopy plays an important role in our understanding of energy conversion, storage, and utilization problems. Fundamental studies of chemical reactivity, molecular rearrangements, and charge transport are broadly supported by the DOE’s Office of Science because of their role in the development of alternative energy sources, the understanding of biological energy conversion processes, the efficient utilization of existing energy resources, and the mitigation of reactive intermediates in radiation chemistry. In addition, time-resolved spectroscopy is central to all five of DOE’s grand challenges for fundamental energy science. The Time-Resolved Vibrational Spectroscopy conference is organized biennially to bring the leaders in this field from around the globe together with young scientists to discuss the most recent scientific and technological advances. The latest technology in ultrafast infrared, Raman, and terahertz spectroscopy and the scientific advances that these methods enable were covered. Particular emphasis was placed on new experimental methods used to probe molecular dynamics in liquids, solids, interfaces, nanostructured materials, and biomolecules.

  19. In situ spectroscopic applications to the study of rechargeable lithium batteries. Final report

    SciTech Connect

    Barbour, R.; Kim, Sunghyun; Tryk, D.; Scherson, D.A.

    1993-08-01

    In situ attenuated total reflection Fourier transform infrared spectroscopy (ATR/FTIR) has been employed to examine the reactivity of lithium toward polyethylene oxide (PEO) at ca. 60{degree}C. Uncertainties regarding the cleanliness of the Li surfaces were, minimized by electrodepositing a film of metallic Li directly onto a thin layer of gold (ca. 60 {Angstrom}) vapor deposited on a Ge ATR optical element during the spectroscopic measurements. The ATR/FTIR features observed upon stripping the Li layer were consistent with the formation of alkoxide-type moieties resulting from the Li-induced cleavage of the ether-type functionalities. Electronic and structural aspects of the electrochemical insertion of lithium from non-aqueous electroyltes into FeS{sub 2} have been investigated using in situ Fe K-edge X-ray absorption fine structure (XAFS). The results obtained indicate that the incorporation of Li{sup +} in the pyrite lattice brings about a marked decrease in the amplitude of the extended XAFS (EXAFS) oscillations, particularly for shells associated with distant atoms and a rounding of the, X-ray absorption near edge structure (XANES) region. An analysis of the EXAFS spectra yielded a value for the FeS distance of 2.29 {plus_minus} 0.02 {Angstrom}. On this basis and additional in situ room temperature {sup 57}Fe Mossbauer effect spectroscopy data for the same system it has been proposed that the electrically formed material involves a highly disordered (possibly amorphous) form of Fe{sub l-x}S (with Li+ counterbalancing the charge).

  20. Delaminations Investigated With Ultrasonic Spectroscopy

    NASA Technical Reports Server (NTRS)

    Cosgriff, Laura M.

    2003-01-01

    A previous study suggested that the ultrasonic spectroscopy technique identified possible disbonds or delaminations in polymer matrix composite (PMC) rings sectioned from flywheel rotors (ref. 1). These results went unsubstantiated by other nondestructive evaluation (NDE) methods. To explain the results, PMC rings were further investigated with ultrasonic spectroscopy (ref. 2). The ultrasonic spectroscopy system utilizes a continuous-swept sine waveform as the input. After the swept sine wave traverses the material, the captured waveform is subjected to two fast Fourier transforms. The second fast Fourier transform along with equalization of the frequency spectrum, allows for evaluation of the fundamental resonant frequency. The full-thickness resonance, the resonance corresponding to the location of the intentional disbond, and the frequency spectrum were examined in an effort to characterize the sensitivity of the NDE method to various delamination conditions.

  1. Dynamics of an [Fe4S4(SPh)4]2- cluster explored via IR, Raman, and nuclear resonance vibrational spectroscopy (NRVS)-analysis using 36S substitution, DFT calculations, and empirical force fields.

    PubMed

    Xiao, Yuming; Koutmos, Markos; Case, David A; Coucouvanis, Dimitri; Wang, Hongxin; Cramer, Stephen P

    2006-05-14

    We have used four vibrational spectroscopies--FT-IR, FT-Raman, resonance Raman, and 57Fe nuclear resonance vibrational spectroscopy (NRVS)--to study the normal modes of the Fe-S cluster in [(n-Bu)4N]2[Fe4S4(SPh)4]. This [Fe4S4(SR)4]2- complex serves as a model for the clusters in 4Fe ferredoxins and high-potential iron proteins (HiPIPs). The IR spectra exhibited differences above and below the 243 K phase transition. Significant shifts with 36S substitution into the bridging S positions were also observed. The NRVS results were in good agreement with the low temperature data from the conventional spectroscopies. The NRVS spectra were interpreted by normal mode analysis using optimized Urey-Bradley force fields (UBFF) as well as from DFT theory. For the UBFF calculations, the parameters were refined by comparing calculated and observed NRVS frequencies and intensities. The frequency shifts after 36S substitution were used as an additional constraint. A D 2d symmetry Fe4S4S'4 model could explain most of the observed frequencies, but a better match to the observed intensities was obtained when the ligand aromatic rings were included for a D 2d Fe4S4(SPh)4 model. The best results were obtained using the low temperature structure without symmetry constraints. In addition to stretching and bending vibrations, low frequency modes between approximately 50 and 100 cm(-1) were observed. These modes, which have not been seen before, are interpreted as twisting motions with opposing sides of the cube rotating in opposite directions. In contrast with a recent paper on a related Fe4S4 cluster, we find no need to assign a large fraction of the low frequency NRVS intensity to 'rotational lattice modes'. We also reassign the 430 cm(-1) band as primarily an elongation of the thiophenolate ring, with approximately 10% terminal Fe-S stretch character. This study illustrates the benefits of combining NRVS with conventional Raman and IR analysis for characterization of Fe-S centers. DFT

  2. X-ray Absorption Spectroscopy

    SciTech Connect

    Yano, Junko; Yachandra, Vittal K.

    2009-07-09

    This review gives a brief description of the theory and application of X-ray absorption spectroscopy, both X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS), especially, pertaining to photosynthesis. The advantages and limitations of the methods are discussed. Recent advances in extended EXAFS and polarized EXAFS using oriented membranes and single crystals are explained. Developments in theory in understanding the XANES spectra are described. The application of X-ray absorption spectroscopy to the study of the Mn4Ca cluster in Photosystem II is presented.

  3. Raman Spectroscopy of Microbial Pigments

    PubMed Central

    Edwards, Howell G. M.; Oren, Aharon

    2014-01-01

    Raman spectroscopy is a rapid nondestructive technique providing spectroscopic and structural information on both organic and inorganic molecular compounds. Extensive applications for the method in the characterization of pigments have been found. Due to the high sensitivity of Raman spectroscopy for the detection of chlorophylls, carotenoids, scytonemin, and a range of other pigments found in the microbial world, it is an excellent technique to monitor the presence of such pigments, both in pure cultures and in environmental samples. Miniaturized portable handheld instruments are available; these instruments can be used to detect pigments in microbiological samples of different types and origins under field conditions. PMID:24682303

  4. Spectroscopy of transient neutral species via negative ion photoelectron spectroscopy

    SciTech Connect

    Weaver, A.

    1991-12-01

    Negative ion photoelectron spectroscopy has been used to study two types of transient neutral species: bound free radicals (NO{sub 2} and NO{sub 3}) and unstable neutral species ([IHI] and [FH{sub 2}]). The negative ion time-of-flight photoelectron spectrometer used for these experiments is described in detail.

  5. Spectroscopy of transient neutral species via negative ion photoelectron spectroscopy

    SciTech Connect

    Weaver, A.

    1991-12-01

    Negative ion photoelectron spectroscopy has been used to study two types of transient neutral species: bound free radicals (NO{sub 2} and NO{sub 3}) and unstable neutral species ((IHI) and (FH{sub 2})). The negative ion time-of-flight photoelectron spectrometer used for these experiments is described in detail.

  6. Mineralogical and Geochemical Analyses of Antarctic Lake Sediments: A Reflectance and Moessbauer Spectroscopy Study with Applications for Remote Sensing on Mars

    NASA Technical Reports Server (NTRS)

    Froeschl, Heinz; Lougear, Andre; Trautwein, Alfred X.; Newton, Jason; Doran, Peter T.; Koerner, Wilfried; Koeberl, Christian; Bishop, Janice (Technical Monitor); DeVincenzi, Donald L. (Technical Monitor)

    2000-01-01

    Lakebottom sediments from the Dry Valleys region of Antarctica have been analyzed here in order to study the influence of water chemistry on the mineralogy and geochemistry of these sediments, as well as to evaluate techniques for remote spectral identification of potential biomarker minerals on Mars. Lakes from the Dry Valleys region of Antarctica have been investigated as possible analogs for extinct lake environments on early Mars. Sediment cores were collected in the present study from perennially ice-covered Lake Hoare in the Taylor Valley. These sediments were taken from a core in an oxic region of the lake and another core in an anoxic zone. Differences between the two cores were observed in the sediment color, Fe(II)/Fe(III) ratio, the presence of pyrite, the abundance of Fe, S and some trace elements, and the C, N and S isotope fractionation patterns. The results of visible-infrared reflectance spectroscopy (0.3-25 microns) Mossbauer spectroscopy (77 and 4 K) and X-ray diffraction are combined to determine the mineralogy and composition of these samples. The sediments are dominated by plagioclase, K-feldspar, quartz and pyroxene. Algal mats grow on the bottom of the lake and organic material has been found throughout the cores. Calcite is abundant in some layers of the aerobic core (shallow region) and pyrite is abundant in some layers of the anaerobic core (deep region). Analysis of the spectroscopic features due to organics and carbonates with respect to the abundance of organic C and carbonate contents was performed in order to select optimal spectral bands for remote identification of these components in planetary regoliths. Carbonate bands near 4 and 6.8 microns (approx.2500 and 1500/cm) were detected for carbonate abundances as low as 0.1 wt.% CO2. Organic features at 3.38, 3.42 and 3.51 microns (2960, 2925 and 2850/cm) were detected for organic C abundances as low as 0.06 wt.% C. The d13C trends show a more complex organic history for the anaerobic

  7. Current Trends in Atomic Spectroscopy.

    ERIC Educational Resources Information Center

    Wynne, James J.

    1983-01-01

    Atomic spectroscopy is the study of atoms/ions through their interaction with electromagnetic radiation, in particular, interactions in which radiation is absorbed or emitted with an internal rearrangement of the atom's electrons. Discusses nature of this field, its status and future, and how it is applied to other areas of physics. (JN)

  8. Concentration-modulated absorption spectroscopy.

    PubMed

    Langley, A J; Beaman, R A; Baran, J; Davies, A N; Jones, W J

    1985-07-01

    Concentration modulation is demonstrated to be a technique capable of markedly extending sensitivity limits in absorption spectroscopy. The gain generated relates in such a manner to sample transmittance that for the first reported time direct spectroscopic concentration measurements become possible. When concentration modulation is used with picosecond lasers, state lifetimes can be determined to a limit of approximately 20 psec.

  9. Hollow waveguide cavity ringdown spectroscopy

    NASA Technical Reports Server (NTRS)

    Dreyer, Chris (Inventor); Mungas, Greg S. (Inventor)

    2012-01-01

    Laser light is confined in a hollow waveguide between two highly reflective mirrors. This waveguide cavity is used to conduct Cavity Ringdown Absorption Spectroscopy of loss mechanisms in the cavity including absorption or scattering by gases, liquid, solids, and/or optical elements.

  10. Exciting Developments in Hadron Spectroscopy

    SciTech Connect

    Seth, Kamal K.

    2006-02-11

    There has been a renaissance in hadron spectroscopy during the last couple of years. Long lost states have been tracked down. Unexpected states are showing up all over, and numerous measurements with unprecedented precision are being reported. A review is presented.

  11. Fourier spectroscopy and planetary research

    NASA Technical Reports Server (NTRS)

    Hanel, R. A.; Kunde, V. G.

    1974-01-01

    The application of Fourier Transform Spectroscopy (FTS) to planetary research is reviewed. The survey includes FTS observations of the sun, all the planets except Uranus and Pluto, the Galilean satellites and Saturn's rings. Instrumentation and scientific results are considered and the prospects and limitations of FTS for planetary research in the forthcoming years are discussed.

  12. High-spin nuclear spectroscopy

    SciTech Connect

    Diamond, R.M.

    1986-07-01

    High-spin spectroscopy is the study of the changes in nuclear structure, properties, and behavior with increasing angular momentum. It involves the complex interplay between collective and single-particle motion, between shape and deformation changes, particle alignments, and changes in the pairing correlations. A review of progress in theory, experimentation, and instrumentation in this field is given. (DWL)

  13. Spectroscopy on the Overhead Projector.

    ERIC Educational Resources Information Center

    Solomon, Sally; And Others

    1994-01-01

    Any overhead projector easily can be converted into a simple spectrometer by placing a piece of diffraction grating over the projecting lens. A detailed description of the apparatus and suggested spectroscopy experiments are included. Demonstrations can utilize solutions of cobalt chloride, potassium permanganate, potassium dichromate, or…

  14. Infrared Spectroscopy of Deuterated Compounds.

    ERIC Educational Resources Information Center

    MacCarthy, Patrick

    1985-01-01

    Background information, procedures used, and typical results obtained are provided for an experiment (based on the potassium bromide pressed-pellet method) involving the infrared spectroscopy of deuterated compounds. Deuteration refers to deuterium-hydrogen exchange at active hydrogen sites in the molecule. (JN)

  15. Reflectance spectroscopy for soil analysis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Over the last three decades or more, researchers have estimated soil properties using visible and near infrared (VNIR) diffuse reflectance spectroscopy (DRS), with varying results. This presentation reviews the history and state-of –the art of VNIR-DRS, including relative estimation accuracy for var...

  16. Cavity-Enhanced Ultrafast Spectroscopy

    NASA Astrophysics Data System (ADS)

    Allison, Thomas

    2016-05-01

    Ultrafast optical spectroscopy methods, such as transient absorption spectroscopy and 2D-spectroscopy, are widely used across many disciplines. However, these techniques are typically restricted to optically thick samples, such as solids and liquid solutions. Using a frequency comb laser and optical cavities, we present a new technique for performing ultrafast optical spectroscopy with high sensitivity, enabling work in dilute gas-phase molecular beams. Resonantly enhancing the probe pulses, we demonstrate transient absorption measurements with a detection limit of ΔOD = 2 ×10-10 (1 ×10-9 /√{Hz}). Resonantly enhancing the pump pulses allows us to produce a high excitation fraction at high repetition-rate, so that signals can be recorded from samples with optical densities as low as OD 10-8 , or column densities < 1010 molecules/ cm2. To our knowledge, this represents a 5,000-fold improvement of the state-of-the-art. This work was supported by the National Science Foundation under Grant Number 1404296.

  17. A Quantitative Infrared Spectroscopy Experiment.

    ERIC Educational Resources Information Center

    Krahling, Mark D.; Eliason, Robert

    1985-01-01

    Although infrared spectroscopy is used primarily for qualitative identifications, it is possible to use it as a quantitative tool as well. The use of a standard curve to determine percent methanol in a 2,2,2-trifluoroethanol sample is described. Background information, experimental procedures, and results obtained are provided. (JN)

  18. Autler-Townes multiplet spectroscopy

    NASA Astrophysics Data System (ADS)

    Ghafoor, F.

    2014-03-01

    The Autler-Townes doublet and triplet spectroscopy are well known in the literature. Here, atomic systems for quartuplet, quintuplet emission spectroscopy and their linkages with the sodium atom are investigated for display of the corresponding spectra. We explore the involved fundamental processes of quantum interference in these systems by examining the Laplace transform of the corresponding state-vector subjected to steady coherent illumination in the rotating wave approximation and Weisskopf-Wigner treatment of spontaneous emission as a simplest probability loss. In the quartuplet (quintuplet), four (five) fields interact appropriately and resonantly with the five-level (six-level) atom. The spectral profile of the single decaying level, upon interaction with three (four) other levels, splits into four (five) destructively interfering dressed states generating three (four) dark lines in the spectrum. These dark lines divide the spectrum into four (five) spectral components (bright lines) whose widths are effectively controlled by the relative strength of the laser fields and the relative width of a single decaying level. The idea is also extended to higher-ordered spectroscopy. The apparent disadvantage of these schemes is the successive increase in the number of laser fields required for the strongly interactive atomic states. However, these complexities are naturally inherited and are the beauty of these atomic systems. They provide the foundations for the basic mechanisms of the quantum interference involved in the higher-ordered multiplet spectroscopy.

  19. OH absorption spectroscopy in a flame using spatial heterodyne spectroscopy

    NASA Astrophysics Data System (ADS)

    Bartula, Renata J.; Ghandhi, Jaal B.; Sanders, Scott T.; Mierkiewicz, Edwin J.; Roesler, Fred L.; Harlander, John M.

    2007-12-01

    We demonstrate measurements of OH absorption spectra in the post-flame zone of a McKenna burner using spatial heterodyne spectroscopy (SHS). SHS permits high-resolution, high-throughput measurements. In this case the spectra span ~308-310 nm with a resolution of 0.03 nm, even though an extended source (extent of ~2×10-7 m2 rad2) was used. The high spectral resolution is important for interpreting spectra when multiple absorbers are present for inferring accurate gas temperatures from measured spectra and for monitoring weak absorbers. The present measurement paves the way for absorption spectroscopy by SHS in practical combustion devices, such as reciprocating and gas-turbine engines.

  20. Stark Spectroscopy of Rubrene. I. Electroabsorption Spectroscopy and Molecular Parameters.

    PubMed

    Iimori, Toshifumi; Ito, Ryuichi; Ohta, Nobuhiro; Nakano, Hideyuki

    2016-06-30

    Electroabsorption spectroscopy investigation and the determination of molecular parameters for rubrene dispersed in a poly(methyl methacrylate) (PMMA) matrix are reported. The features of the band system in the absorption spectrum in PMMA are analogous to those in solutions. The changes in the electric dipole moment and the polarizability between the excited and ground states are determined from analysis of the Stark effect in the absorption band. The change in the transition dipole moment in the presence of an external electric field is also observed. Although rubrene is predicted to be classified as a nonpolar molecule, there is a contribution of the difference in the electric dipole moment between the excited and ground states to the electroabsorption spectrum. The origin of the nonzero difference in the electric dipole moment is argued. Stark fluorescence spectroscopy investigation is reported in Part II of this series. PMID:27257765

  1. Optical Spectroscopy at the Nanoscale

    NASA Astrophysics Data System (ADS)

    Hong, Xiaoping

    Recent advances in material science and fabrication techniques enabled development of nanoscale applications and devices with superior performances and high degree of integration. Exotic physics also emerges at nanoscale where confinement of electrons and phonons leads to drastically different behavior from those in the bulk materials. It is therefore rewarding and interesting to investigate and understand material properties at the nanoscale. Optical spectroscopy, one of the most versatile techniques for studying material properties and light-matter interactions, can provide new insights into the nanomaterials. In this thesis, I explore advanced laser spectroscopic techniques to probe a variety of different nanoscale phenomena. A powerful tool in nanoscience and engineering is scanning tunneling microscopy (STM). Its capability in atomic resolution imaging and spectroscopy unveiled the mystical quantum world of atoms and molecules. However identification of molecular species under investigation is one of the limiting functionalities of the STM. To address this need, we take advantage of the molecular `fingerprints' - vibrational spectroscopy, by combining an infrared light sources with scanning tunneling microscopy. In order to map out sharp molecular resonances, an infrared continuous wave broadly tunable optical parametric oscillator was developed with mode-hop free fine tuning capabilities. We then combine this laser with STM by shooting the beam onto the STM substrate with sub-monolayer diamondoids deposition. Thermal expansion of the substrate is detected by the ultrasensitive tunneling current when infrared frequency is tuned across the molecular vibrational range. Molecular vibrational spectroscopy could be obtained by recording the thermal expansion as a function of the excitation wavelength. Another interesting field of the nanoscience is carbon nanotube, an ideal model of one dimensional physics and applications. Due to the small light absorption with

  2. "Solvent Effects" in 1H NMR Spectroscopy.

    ERIC Educational Resources Information Center

    Cavaleiro, Jose A. S.

    1987-01-01

    Describes a simple undergraduate experiment in chemistry dealing with the "solvent effects" in nuclear magnetic resonance (NMR) spectroscopy. Stresses the importance of having students learn NMR spectroscopy as a tool in analytical chemistry. (TW)

  3. Optical spectroscopy of novel materials

    NASA Astrophysics Data System (ADS)

    Reijnders, Anjan A.

    Optical Spectroscopy is a well-established experimental technique for the study of solids, gasses, and liquids. This thesis focuses on two broad topics related to optical spectroscopy; experimental instrumentation, and its application to novel materials. The first half of the thesis discusses the design and construction of a novel, multifunctional magneto-optical spectroscopy apparatus with exceptional repeatability. Included are the operating principles of FTIR reflectance and transmittance spectroscopy, and the optical ray-tracing design, physical design, and characterization of a custom built magneto-optical spectroscopy apparatus. The second half of the thesis discusses the experimental results of a comprehensive spectroscopic study of Topological Insulators and thermoelectric Pb0.77Sn0.23Se. Topological Insulators (TIs) are a recently discovered phase of matter in which highly conductive free carriers are found on the surface of small band-gap insulators. A challenge in TI research is the experimental isolation of conductive surface states from the bulk states, which are frequently plagued by residual conductivity due to impurities. In this work, optical spectroscopy is used to simultaneously probe the bulk and surface states to study their individual optical properties, in addition to their coupling. Using variable temperature, crystal orientation, and a broad frequency range, we identify compounds with the most resistive bulk states, and provide new insights into carrier dynamics, surface state conductance suppression as a function of temperature, and practical material optimization guidelines for application purposes. A comprehensive optical investigation of Pb0.77Sn0.23Se is also discussed. This is a promising thermoelectric, which exhibits a temperature dependent band inversion, associated with a topological phase transition. We find clear evidence for this band inversion, and find a bulk carrier lifetime dominated by electron-acoustic phonon scattering

  4. Frequency Comb Velocity Modulation Spectroscopy

    NASA Astrophysics Data System (ADS)

    Cossel, Kevin C.; Sinclair, Laura C.; Coffey, Tyler; Cornell, Eric; Ye, Jun

    2011-06-01

    We have developed a novel technique for rapid ion-sensitive spectroscopy over a broad spectral bandwidth by combining the high sensitivity of velocity modulation spectroscopy (VMS) with the parallel nature and high frequency accuracy of cavity-enhanced direct frequency comb spectroscopy. Prior to this research, no techniques have been capable of high sensitivity velocity modulation spectroscopy on every parallel detection channel over such a broad spectral range. We have demonstrated the power of this technique by measuring the A^2Π_u - X^2Σ_g^+ (4,2) band of N_2^+ at 830 nm with an absorption sensitivity of 1×10-6 for each of 1500 simultaneous measurement channels spanning 150 Cm-1. A densely sampled spectrum consisting of interleaved measurements to achieve 75 MHz spacing is acquired in under an hour. This technique is ideally suited for high resolution survey spectroscopy of molecular ions with applications including chemical physics, astrochemistry, and precision measurement. Currently, this system is being used to map the electronic transitions of HfF^+ for the JILA electron electric dipole moment (eEDM) experiment. The JILA eEDM experiment uses trapped molecular ions to significantly increase the coherence time of the measurement in addition to utilizing the strong electric field enhancement available from molecules. Previous theoretical work has shown that the metastable ^3Δ_1 state in HfF^+ and ThF^+ provides high sensitivity to the eEDM and good cancellation of systematic effects; however, the electronic level structure of these species have not previously been measured, and the theoretical uncertainties are hundreds to thousands of wavenumbers. This necessitates broad-bandwidth, high-resolution survey spectroscopy provided by frequency comb VMS in the 700-900 nm spectral window. F. Adler, M. J. Thorpe, K. C. Cossel, and J. Ye. Annu. Rev. Anal. Chem. 3, 175-205 (2010) A. E. Leanhardt, et. al. arXiv:1008.2997v2 E. Meyer, J. L. Bohn, and M. P. Deskevich

  5. Trapping and spectroscopy of hydrogen

    NASA Astrophysics Data System (ADS)

    Cesar, Claudio Lenz

    1997-08-01

    I review the results and techniques used by the MIT H↑ group to achieve a fractional resolution of 2 parts in 1012 in the 1S-2S transition in hydrogen [Cesar, D. Fried, T. Killian, A. Polcyn, J. Sandberg, I.A. Yu, T. Greytak, D. Kleppner and J. Doyle, Two-photon spectroscopy of trapped atomic hydrogen, Phys. Rev. Lett. 77 (1996) 255.] With some improvements, this system should deliver 100 times higher resolution with an improved signal count rate getting us closer to an old advertised goal of a precision of 1 part in 1018. While these developments are very important for the proposed test of the CPT theorem through the comparison with anti-hydrogen, some of the techniques used with hydrogen are not applicable to anti-hydrogen and I discuss some difficulties and alternatives for the trapping and spectroscopy of anti-hydrogen.

  6. Liquid identification by Hilbert spectroscopy

    NASA Astrophysics Data System (ADS)

    Lyatti, M.; Divin, Y.; Poppe, U.; Urban, K.

    2009-11-01

    Fast and reliable identification of liquids is of great importance in, for example, security, biology and the beverage industry. An unambiguous identification of liquids can be made by electromagnetic measurements of their dielectric functions in the frequency range of their main dispersions, but this frequency range, from a few GHz to a few THz, is not covered by any conventional spectroscopy. We have developed a concept of liquid identification based on our new Hilbert spectroscopy and high- Tc Josephson junctions, which can operate at the intermediate range from microwaves to THz frequencies. A demonstration setup has been developed consisting of a polychromatic radiation source and a compact Hilbert spectrometer integrated in a Stirling cryocooler. Reflection polychromatic spectra of various bottled liquids have been measured at the spectral range of 15-300 GHz with total scanning time down to 0.2 s and identification of liquids has been demonstrated.

  7. Quantitative tunneling spectroscopy of nanocrystals

    SciTech Connect

    First, Phillip N; Whetten, Robert L; Schaaff, T Gregory

    2007-05-25

    The proposed goals of this collaborative work were to systematically characterize the electronic structure and dynamics of 3-dimensional metal and semiconducting nanocrystals using scanning tunneling microscopy/spectroscopy (STM/STS) and ballistic electron emission spectroscopy (BEES). This report describes progress in the spectroscopic work and in the development of methods for creating and characterizing gold nanocrystals. During the grant period, substantial effort also was devoted to the development of epitaxial graphene (EG), a very promising materials system with outstanding potential for nanometer-scale ballistic and coherent devices ("graphene" refers to one atomic layer of graphitic, sp2 -bonded carbon atoms [or more loosely, few layers]). Funding from this DOE grant was critical for the initial development of epitaxial graphene for nanoelectronics

  8. Heavy quark spectroscopy and decay

    SciTech Connect

    Schindler, R.H.

    1987-01-01

    The understanding of q anti q systems containing heavy, charmed, and bottom quarks has progressed rapidly in recent years, through steady improvements in experimental techniques for production and detection of their decays. These lectures are meant to be an experimentalist's review of the subject. In the first of two lectures, the existing data on the spectroscopy of the bound c anti c and b anti b systems will be discussed. Emphasis is placed on comparisons with the theoretical models. The second lecture covers the rapidly changing subject of the decays of heavy mesons (c anti q and b anti q), and their excited states. In combination, the spectroscopy and decays of heavy quarks are shown to provide interesting insights into both the strong and electroweak interactions of the heavy quarks. 103 refs., 39 figs.

  9. Raman spectroscopy in halophile research.

    PubMed

    Jehlička, Jan; Oren, Aharon

    2013-12-10

    Raman spectroscopy plays a major role in robust detection of biomolecules and mineral signatures in halophile research. An overview of Raman spectroscopic investigations in halophile research of the last decade is given here to show advantages of the approach, progress made as well as limits of the technique. Raman spectroscopy is an excellent tool to monitor and identify microbial pigments and other biomolecules in extant and extinct halophile biomass. Studies of bottom gypsum crusts from salterns, native evaporitic sediments, halite inclusions, and endoliths as well as cultures of halophilic microorganisms permitted to understand the content, distribution, and behavior of important molecular species. The first papers describing Raman spectroscopic detection of microbiological and geochemical key markers using portable instruments are highlighted as well.

  10. Raman spectroscopy in halophile research

    PubMed Central

    Jehlička, Jan; Oren, Aharon

    2013-01-01

    Raman spectroscopy plays a major role in robust detection of biomolecules and mineral signatures in halophile research. An overview of Raman spectroscopic investigations in halophile research of the last decade is given here to show advantages of the approach, progress made as well as limits of the technique. Raman spectroscopy is an excellent tool to monitor and identify microbial pigments and other biomolecules in extant and extinct halophile biomass. Studies of bottom gypsum crusts from salterns, native evaporitic sediments, halite inclusions, and endoliths as well as cultures of halophilic microorganisms permitted to understand the content, distribution, and behavior of important molecular species. The first papers describing Raman spectroscopic detection of microbiological and geochemical key markers using portable instruments are highlighted as well. PMID:24339823

  11. Analytical Spectroscopy Using Modular Systems

    NASA Astrophysics Data System (ADS)

    Patterson, Brian M.; Danielson, Neil D.; Lorigan, Gary A.; Sommer, André J.

    2003-12-01

    This article describes the development of three analytical spectroscopy experiments that compare the determination of salicylic acid (SA) content in aspirin tablets. The experiments are based on UV vis, fluorescence, and Raman spectroscopies and utilize modular spectroscopic components. Students assemble their own instruments, optimize them with respect to signal-to-noise, generate calibration curves, determine the SA content in retail aspirin tablets, and assign features in the respective spectra to functional groups within the active material. Using this approach in the discovery-based setting, the students gain invaluable insight into method-specific parameters, such as instrumental components, sample preparation, and analytical capability. In addition, the students learn the fundamentals of fiber optics and signal processing using the low-cost CCD based spectroscopic components.

  12. Molecular Spectroscopy of Living Systems

    NASA Astrophysics Data System (ADS)

    Cheng, Ji-Xin

    2016-06-01

    Molecular spectroscopy has been a powerful tool in the study of molecules in gas phase, condensed phase, and at interfaces. The transition from in vitro spectroscopy to spectroscopic imaging of living systems is opening new opportunities to reveal cellular machinery and to enable molecule-based diagnosis (Science 2015, 350: 1054). Such a transition involves more than a simple combination of spectrometry and microscopy. In this presentation, I will discuss the most recent efforts that have pushed the physical limits of spectroscopic imaging in terms of spectral acquisition speed, detection sensitivity, spatial resolution and imaging depth. I will further highlight significant applications in functional analysis of single cells and in label-free detection of diseases.

  13. Blood analysis by Raman spectroscopy.

    PubMed

    Enejder, Annika M K; Koo, Tae-Woong; Oh, Jeankun; Hunter, Martin; Sasic, Slobodan; Feld, Michael S; Horowitz, Gary L

    2002-11-15

    Concentrations of multiple analytes were simultaneously measured in whole blood with clinical accuracy, without sample processing, using near-infrared Raman spectroscopy. Spectra were acquired with an instrument employing nonimaging optics, designed using Monte Carlo simulations of the influence of light-scattering-absorbing blood cells on the excitation and emission of Raman light in turbid medium. Raman spectra were collected from whole blood drawn from 31 individuals. Quantitative predictions of glucose, urea, total protein, albumin, triglycerides, hematocrit, and hemoglobin were made by means of partial least-squares (PLS) analysis with clinically relevant precision (r(2) values >0.93). The similarity of the features of the PLS calibration spectra to those of the respective analyte spectra illustrates that the predictions are based on molecular information carried by the Raman light. This demonstrates the feasibility of using Raman spectroscopy for quantitative measurements of biomolecular contents in highly light-scattering and absorbing media. PMID:18033426

  14. Few-photon heterodyne spectroscopy

    NASA Astrophysics Data System (ADS)

    Amaral, G. C.; Ferreira da Silva, T.; Temporão, G. P.; von der Weid, J. P.

    2016-04-01

    We perform a high resolution Fourier Transform Spectroscopy of optical sources in the few-photon regime based on the phenomenon of two-photon interference in a beam splitter. From the heterodyne interferogram between test and reference sources it is possible to obtain the spectrum of the test source relative to that of the reference. The method proves to be a useful asset for spectral characterization of faint optical sources below the range covered by classical heterodyne beating techniques.

  15. Quantitative spectroscopy of hot stars

    NASA Technical Reports Server (NTRS)

    Kudritzki, R. P.; Hummer, D. G.

    1990-01-01

    A review on the quantitative spectroscopy (QS) of hot stars is presented, with particular attention given to the study of photospheres, optically thin winds, unified model atmospheres, and stars with optically thick winds. It is concluded that the results presented here demonstrate the reliability of Qs as a unique source of accurate values of the global parameters (effective temperature, surface gravity, and elemental abundances) of hot stars.

  16. Optical spectroscopy and tooth decay

    NASA Astrophysics Data System (ADS)

    Misra, P.; De, T.; Singh, R.

    2005-11-01

    Optical spectroscopy in the ultraviolet, visible and mid-infrared spectral regions has been used to discriminate between healthy and diseased teeth of patients in the age range 15-75 years. Spectral scans of absorbance versus wavenumber and fluorescence intensity versus wavelength have been recorded and investigated for caries and periodontal disease. Such optical diagnostics can prove very useful in the early detection and treatment of tooth decay.

  17. Current trends in meteor spectroscopy

    NASA Technical Reports Server (NTRS)

    Millman, P. M.

    1982-01-01

    The history of progress over more than a century in meteor spectroscopy is summarized. The observational data were originally visual records, but in the beginning of the 20th century photography of meteor spectra was undertaken. In the forties, 60 meteor spectra were photographed. Interest in the upper atmosphere led to the development of more efficient meteor cameras which employ replica gratings, and electronic image intensification systems recordings on video tape which resulted in the availability of several thousand meteor spectra.

  18. Spectroscopy, scattering, and KK molecules

    SciTech Connect

    Weinstein, J.

    1994-04-01

    The author presents a pedagogical description of a new theoretical technique, based on the multichannel Schroedinger equation, for simultaneously applying the quark model to both meson spectroscopy and meson-meson scattering. This is an extension of an earlier analysis which led to the prediction that the f{sub o}(975) and a{sub o}(980) scalar mesons are K{bar K} molecular states.

  19. Heavy quark production and spectroscopy

    SciTech Connect

    Appel, J.A.

    1993-11-01

    This review covers many new experimental results on heavy flavor production and spectroscopy. It also shows some of the increasingly improved theoretical understanding of results in light of basic perturbative QCD and heavy quark symmetry. At the same time, there are some remaining discrepancies among experiments as well as significant missing information on some of the anticipated lowest lying heavy quark states. Most interesting, perhaps, are some clearly measured production effects awaiting full explanation.

  20. Vibrational spectroscopy of HNS degradation

    NASA Astrophysics Data System (ADS)

    Alam, M. Kathleen; Martin, Laura; Schmitt, Randal L.; Ten Eyck, Gregory A.; Welle, Eric

    2008-08-01

    Hexanitrostilbene (HNS) is a widely used explosive, due in part to its high thermal stability. Degradation of HNS is known to occur through UV, chemical exposure, and heat exposure, which can lead to reduced performance of the material. Common methods of testing for HNS degradation include wet chemical and surface area testing of the material itself, and performance testing of devices that use HNS. The commonly used chemical tests, such as volatility, conductivity and contaminant trapping provide information on contaminants rather than the chemical stability of the HNS itself. Additionally, these tests are destructive in nature. As an alternative to these methods, we have been exploring the use of vibrational spectroscopy as a means of monitoring HNS degradation non-destructively. In particular, infrared (IR) spectroscopy lends itself well to non-destructive analysis. Molecular variations in the material can be identified and compared to pure samples. The utility of IR spectroscopy was evaluated using pressed pellets of HNS exposed to DETA (diethylaminetriamine). Amines are known to degrade HNS, with the proposed product being a σ-adduct. We have followed these changes as a function of time using various IR sampling techniques including photoacoustic and attenuated total reflectance (ATR).

  1. Isotope effects in ESR spectroscopy.

    PubMed

    Stößer, Reinhard; Herrmann, Werner

    2013-06-07

    In order to present the relationship between ESR spectroscopy and isotope effects three levels are considered: (i) ESR spectroscopy is described on a general level up to the models for interpretation of the experimental spectra, which go beyond the usually used time and mass independent spin-Hamilton operator, (ii) the main characteristics of the generalized isotope effects are worked out, and finally (iii) the basic, mainly quantum mechanical effects are used to describe the coupling of electron spins with the degrees of freedom, which are accessible under the selected conditions, of the respective paramagnetic object under investigation. The ESR parameters and the respective models are formalized so far, that they include the time and mass depending influences and reflect the specific isotope effects. Relations will be established between the effects in ESR spectra to spin relaxation, to spin exchange, to the magnetic isotope effect, to the Jahn-Teller effects, as well as to the influence of zero-point vibrations. Examples will be presented which demonstrate the influence of isotopes as well as the kind of accessible information. It will be differentiated with respect to isotope effects in paramagnetic centres itself and in the respective matrices up to the technique of ESR imaging. It is shown that the use of isotope effects is indispensable in ESR spectroscopy.

  2. Raman spectroscopy of bone metastasis

    NASA Astrophysics Data System (ADS)

    Esmonde-White, Karen A.; Sottnik, Joseph; Morris, Michael; Keller, Evan

    2012-02-01

    Raman spectroscopy of bone has been used to characterize chemical changes occurring in diseases such as osteoporosis, osteoarthritis and osteomyelitis. Metastasis of cancer into bone causes changes to bone quality that are similar to those observed in osteoporosis, such as decreased bone strength, but with an accelerated timeframe. In particular, osteolytic (bone degrading) lesions in bone metastasis have a marked effect on patient quality of life because of increased risk of fractures, pain, and hypercalcemia. We use Raman spectroscopy to examine bone from two different mouse models of osteolytic bone metastasis. Raman spectroscopy measures physicochemical information which cannot be obtained through standard biochemical and histological measurements. This study was reviewed and approved by the University of Michigan University Committee on the Care and Use of Animals. Two mouse models of prostate cancer bone metastasis, RM1 (n=3) and PC3-luc (n=4) were examined. Tibiae were injected with RM1 or PC3-luc cancer cells, while the contralateral tibiae received a placebo injection for use as controls. After 2 weeks of incubation, the mice were sacrificed and the tibiae were examined by Raman microspectroscopy (λ=785 nm). Spectroscopic markers corresponding to mineral stoichiometry, bone mineralization, and mineral crystallinity were compared in spectra from the cancerous and control tibiae. X-ray imaging of the tibia confirmed extensive osteolysis in the RM1 mice, with tumor invasion into adjoining soft tissue and moderate osteolysis in the PC3-luc mice. Raman spectroscopic markers indicate that osteolytic lesions are less mineralized than normal bone tissue, with an altered mineral stoichiometry and crystallinity.

  3. Modulated orientation sensitive terahertz spectroscopy

    NASA Astrophysics Data System (ADS)

    Singh, Rohit

    The energies of protein correlated motions lie in the far infrared or THz frequency range (lambda = 1 cm -- 50 mm, f = 0.03 -- 6 THz). The existence of correlated motions has been confirmed by neutron and inelastic x-ray scattering measurements. These techniques require large sample volumes and specialized facilities, limiting their application to systematic studies of changes in correlated motions with functional state and allosteric interactions. Standard terahertz time domain spectroscopy measurements have shown sensitivity to protein-ligand binding, oxidation state, conformation, temperature and hydration. However, the response is broad, in part from the large vibrational density of states and in part from the dielectric response contribution from surface water and side-chains. As an overall strategy to measure the correlated structural motions in protein, we use anisotropic and birefringent behavior of molecular crystals to develop a new technique called MOSTS (Modulated Orientation Sensitive Terahertz Spectroscopy). We achieve high sensitivity and mode separation, by using single molecular crystal such as sucrose and oxalic acid, and rapid modulation of the relative alignment of the terahertz polarization and the crystal axes by rotating the sample. By locking into the signal at the rotation frequency, we determine the polarization sensitive signal and map out the optically active vibrational resonances. To illustrate the technique, we compare our measured spectra with the calculated, and find a close agreement. We measure dielectric properties of oxalic acid, sucrose and protein crystals and polycarbonate sheet using standard terahertz time domain spectroscopy. We determine the absorbances in oxalic acid and sucrose crystals, using MOSTS technique. We compare the resonances in these two distinct methods. Then, we develop a protein model sample by sticking together two thin plates of sucrose and polycarbonate. We carry out standard THz-TDS and MOSTS

  4. Transcutaneous Raman Spectroscopy of Bone

    NASA Astrophysics Data System (ADS)

    Maher, Jason R.

    Clinical diagnoses of bone health and fracture risk typically rely upon measurements of bone density or structure, but the strength of a bone is also dependent upon its chemical composition. One technology that has been used extensively in ex vivo, exposed-bone studies to measure the chemical composition of bone is Raman spectroscopy. This spectroscopic technique provides chemical information about a sample by probing its molecular vibrations. In the case of bone tissue, Raman spectra provide chemical information about both the inorganic mineral and organic matrix components, which each contribute to bone strength. To explore the relationship between bone strength and chemical composition, our laboratory has contributed to ex vivo, exposed-bone animal studies of rheumatoid arthritis, glucocorticoid-induced osteoporosis, and prolonged lead exposure. All of these studies suggest that Raman-based predictions of biomechanical strength may be more accurate than those produced by the clinically-used parameter of bone mineral density. The utility of Raman spectroscopy in ex vivo, exposed-bone studies has inspired attempts to perform bone spectroscopy transcutaneously. Although the results are promising, further advancements are necessary to make non-invasive, in vivo measurements of bone that are of sufficient quality to generate accurate predictions of fracture risk. In order to separate the signals from bone and soft tissue that contribute to a transcutaneous measurement, we developed an overconstrained extraction algorithm that is based upon fitting with spectral libraries derived from separately-acquired measurements of the underlying tissue components. This approach allows for accurate spectral unmixing despite the fact that similar chemical components (e.g., type I collagen) are present in both soft tissue and bone and was applied to experimental data in order to transcutaneously detect, to our knowledge for the first time, age- and disease-related spectral

  5. Development of MEMS photoacoustic spectroscopy

    SciTech Connect

    Robinson, Alex Lockwood; Eichenfield, Matthew S.; Griffin, Benjamin; Harvey, Heidi Alyssa; Nielson, Gregory N.; Okandan, Murat; Langlois, Eric; Resnick, Paul James; Shaw, Michael J.; Young, Ian; Givler, Richard C.; Reinke, Charles M.

    2014-01-01

    After years in the field, many materials suffer degradation, off-gassing, and chemical changes causing build-up of measurable chemical atmospheres. Stand-alone embedded chemical sensors are typically limited in specificity, require electrical lines, and/or calibration drift makes data reliability questionable. Along with size, these "Achilles' heels" have prevented incorporation of gas sensing into sealed, hazardous locations which would highly benefit from in-situ analysis. We report on development of an all-optical, mid-IR, fiber-optic based MEMS Photoacoustic Spectroscopy solution to address these limitations. Concurrent modeling and computational simulation are used to guide hardware design and implementation.

  6. Raman spectroscopy of shocked water

    SciTech Connect

    Holmes, N.C.; Mitchell, A.C.; Nellis, W.J.; Graham, W.B.; Walrafen, G.E.

    1983-07-01

    Raman scattering has been used extensively to study the vibrational and rotational properties of molecules under a variety of conditions. Here, interest is in the behavior of water molecules shocked to high pressures and temperatures. Behind the shock front the water molecules undergo changes in bonding and the molecules may become ionized. Raman spectroscopy can be used to determine the molecular species behind the shock front. In addition, changes in Raman spectra can yield information regarding inter- and intramolecular potentials and the temperature behind the shock front.

  7. Isotope-edited infrared spectroscopy.

    PubMed

    Buchner, Ginka S; Kubelka, Jan

    2012-01-01

    Isotope-edited infrared (IR) spectroscopy is a powerful tool for studying structural and dynamical properties of peptides and proteins with site-specific resolution. Labeling of selected amide carbonyls with (13)C results in detectable sidebands of amide I' vibrations, which provide information about local conformation and/or solvent exposure without structural perturbation to the protein. Incorporation of isotopically labeled amino acids at specific positions is achieved by the chemical synthesis of the studied proteins. We describe the basic procedures for synthesis of (13)C isotopically edited protein samples, experimental IR spectroscopic measurements, and analysis of the site-specific structural changes from the thermal unfolding IR data.

  8. Spectroscopy of blue stellar objects

    NASA Technical Reports Server (NTRS)

    Mitchell, K. J.; Warnock, A., III; Nations, H. L.; Barden, S. C.

    1983-01-01

    Spectra have been obtained for the brightest objects from a list of blue stellar objects found in a Palomar Schmidt field centered on Kapteyn Selected Area 28. Four of the objects presented here comprise a complete sample of objects with UV excess and magnitudes brighter than or equal to B = 16.3 mag. The object with the largest UV excess is a previously undiscovered quasar of redshift 0.25 and cataloged B magnitude of 15.6 mag. The object shows some evidence of variability. Spectroscopy for one bright object in a companion field centered on Selected Area 29 is also presented.

  9. Simultaneous beta and gamma spectroscopy

    DOEpatents

    Farsoni, Abdollah T.; Hamby, David M.

    2010-03-23

    A phoswich radiation detector for simultaneous spectroscopy of beta rays and gamma rays includes three scintillators with different decay time characteristics. Two of the three scintillators are used for beta detection and the third scintillator is used for gamma detection. A pulse induced by an interaction of radiation with the detector is digitally analyzed to classify the type of event as beta, gamma, or unknown. A pulse is classified as a beta event if the pulse originated from just the first scintillator alone or from just the first and the second scintillator. A pulse from just the third scintillator is recorded as gamma event. Other pulses are rejected as unknown events.

  10. X-ray Echo Spectroscopy.

    PubMed

    Shvyd'ko, Yuri

    2016-02-26

    X-ray echo spectroscopy, a counterpart of neutron spin echo, is being introduced here to overcome limitations in spectral resolution and weak signals of the traditional inelastic x-ray scattering (IXS) probes. An image of a pointlike x-ray source is defocused by a dispersing system comprised of asymmetrically cut specially arranged Bragg diffracting crystals. The defocused image is refocused into a point (echo) in a time-reversal dispersing system. If the defocused beam is inelastically scattered from a sample, the echo signal acquires a spatial distribution, which is a map of the inelastic scattering spectrum. The spectral resolution of the echo spectroscopy does not rely on the monochromaticity of the x rays, ensuring strong signals along with a very high spectral resolution. Particular schemes of x-ray echo spectrometers for 0.1-0.02 meV ultrahigh-resolution IXS applications (resolving power >10^{8}) with broadband ≃5-13  meV dispersing systems are introduced featuring more than 10^{3} signal enhancement. The technique is general, applicable in different photon frequency domains. PMID:26967404

  11. Nonlinear spectroscopy of trapped ions

    NASA Astrophysics Data System (ADS)

    Schlawin, Frank; Gessner, Manuel; Mukamel, Shaul; Buchleitner, Andreas

    2014-08-01

    Nonlinear spectroscopy employs a series of laser pulses to interrogate dynamics in large interacting many-body systems, and it has become a highly successful method for experiments in chemical physics. Current quantum optical experiments approach system sizes and levels of complexity that require the development of efficient techniques to assess spectral and dynamical features with scalable experimental overhead. However, established methods from optical spectroscopy of macroscopic ensembles cannot be applied straightforwardly to few-atom systems. Based on the ideas proposed in M. Gessner et al., (arXiv:1312.3365), we develop a diagrammatic approach to construct nonlinear measurement protocols for controlled quantum systems, and we discuss experimental implementations with trapped ion technology in detail. These methods, in combination with distinct features of ultracold-matter systems, allow us to monitor and analyze excitation dynamics in both the electronic and vibrational degrees of freedom. They are independent of system size, and they can therefore reliably probe systems in which, e.g., quantum state tomography becomes prohibitively expensive. We propose signals that can probe steady-state currents, detect the influence of anharmonicities on phonon transport, and identify signatures of chaotic dynamics near a quantum phase transition in an Ising-type spin chain.

  12. X-ray Echo Spectroscopy.

    PubMed

    Shvyd'ko, Yuri

    2016-02-26

    X-ray echo spectroscopy, a counterpart of neutron spin echo, is being introduced here to overcome limitations in spectral resolution and weak signals of the traditional inelastic x-ray scattering (IXS) probes. An image of a pointlike x-ray source is defocused by a dispersing system comprised of asymmetrically cut specially arranged Bragg diffracting crystals. The defocused image is refocused into a point (echo) in a time-reversal dispersing system. If the defocused beam is inelastically scattered from a sample, the echo signal acquires a spatial distribution, which is a map of the inelastic scattering spectrum. The spectral resolution of the echo spectroscopy does not rely on the monochromaticity of the x rays, ensuring strong signals along with a very high spectral resolution. Particular schemes of x-ray echo spectrometers for 0.1-0.02 meV ultrahigh-resolution IXS applications (resolving power >10^{8}) with broadband ≃5-13  meV dispersing systems are introduced featuring more than 10^{3} signal enhancement. The technique is general, applicable in different photon frequency domains.

  13. Examining pharmaceuticals using terahertz spectroscopy

    NASA Astrophysics Data System (ADS)

    Sulovská, Kateřina; Křesálek, Vojtěch

    2015-10-01

    Pharmaceutical trafficking is common issue in countries where they are under stricter dispensing regime with monitoring of users. Most commonly smuggled pharmaceuticals include trade names Paralen Plus, Modafen, Clarinase repetabs, Aspirin complex, etc. These are transported mainly from Eastern Europe (e.g. Poland, Ukraine, Russia) to countries like Czech Republic, which is said to have one of the highest number of methamphetamine producers in Europe. The aim of this paper is to describe the possibility of terahertz spectroscopy utilization as an examining tool to distinguish between pharmaceuticals containing pseudoephedrine compounds and those without it. Selected medicaments for experimental part contain as an active ingredient pseudoephedrine hydrochloride or pseudoephedrine sulphate. Results show a possibility to find a pseudoephedrine compound spectra in samples according to previously computed and experimentally found ones, and point out that spectra of same brand names pills may vary according to their expiration date, batch, and amount of absorbed water vapours from ambience. Mislead spectrum also occurs during experimental work in a sample without chosen active ingredient, which shows persistent minor inconveniences of terahertz spectroscopy. All measurement were done on the TPS Spectra 3000 instrument.

  14. Ab initio study of the 57Fe quadrupole splitting in the heme models of α- and β-subunits in tetrameric deoxyhemoglobin

    NASA Astrophysics Data System (ADS)

    Yuryeva, E. I.; Oshtrakh, M. I.

    2005-09-01

    Ab initio Xα discrete variation method was used for calculation of quadrupole splitting for the rough heme models in α- and β-subunits of tetrameric deoxyhemoglobin accounting small stereochemical variations. The differences of theoretical values of quadrupole splitting for these heme models were obtained.

  15. Probing biological systems with terahertz spectroscopy

    NASA Astrophysics Data System (ADS)

    Pickwell-MacPherson, Emma; Sun, Yiwen; Parrott, Edward P. J.

    2012-10-01

    Terahertz spectroscopy is able to probe several aspects of biological systems. Most well known is its sensitivity to water due to the strong water absorptions at terahertz frequencies. However an increasing number of studies have shown that it is not just water content that terahertz is sensitive to and that other factors such as tissue structure, molecular arrangement or even temperature can also affect the signal. Examples ranging from breast cancer spectroscopy to antibody protein spectroscopy will be presented and discussed.

  16. Photoacoustic spectroscopy for chemical detection

    NASA Astrophysics Data System (ADS)

    Holthoff, Ellen L.; Pellegrino, Paul M.

    2012-06-01

    The Global War on Terror has made rapid detection and identification of chemical and biological agents a priority for Military and Homeland Defense applications. Reliable real-time detection of these threats is complicated by our enemy's use of a diverse range of materials. Therefore, an adaptable platform is necessary. Photoacoustic spectroscopy (PAS) is a useful monitoring technique that is well suited for trace detection of gaseous media. This method routinely exhibits detection limits at the parts-per-billion (ppb) or sub-ppb range. The versatility of PAS also allows for the investigation of solid and liquid analytes. Current research utilizes quantum cascade lasers (QCLs) in combination with an air-coupled solid-phase photoacoustic cell design for the detection of condensed phase material films deposited on a surface. Furthermore, variation of the QCL pulse repetition rate allows for identification and molecular discrimination of analytes based solely on photoacoustic spectra collected at different film depths.

  17. Optical Spectroscopy of New Materials

    NASA Technical Reports Server (NTRS)

    White, Susan M.; Arnold, James O. (Technical Monitor)

    1993-01-01

    Composites are currently used for a rapidly expanding number of applications including aircraft structures, rocket nozzles, thermal protection of spacecraft, high performance ablative surfaces, sports equipment including skis, tennis rackets and bicycles, lightweight automobile components, cutting tools, and optical-grade mirrors. Composites are formed from two or more insoluble materials to produce a material with superior properties to either component. Composites range from dispersion-hardened alloys to advanced fiber-reinforced composites. UV/VIS and FTIR spectroscopy currently is used to evaluate the bonding between the matrix and the fibers, monitor the curing process of a polymer, measure surface contamination, characterize the interphase material, monitor anion transport in polymer phases, characterize the void formation (voids must be minimized because, like cracks in a bulk material, they lead to failure), characterize the surface of the fiber component, and measure the overall optical properties for energy balances.

  18. Probing zeolites by vibrational spectroscopies.

    PubMed

    Bordiga, Silvia; Lamberti, Carlo; Bonino, Francesca; Travert, Arnaud; Thibault-Starzyk, Frédéric

    2015-10-21

    This review addresses the most relevant aspects of vibrational spectroscopies (IR, Raman and INS) applied to zeolites and zeotype materials. Surface Brønsted and Lewis acidity and surface basicity are treated in detail. The role of probe molecules and the relevance of tuning both the proton affinity and the steric hindrance of the probe to fully understand and map the complex site population present inside microporous materials are critically discussed. A detailed description of the methods needed to precisely determine the IR absorption coefficients is given, making IR a quantitative technique. The thermodynamic parameters of the adsorption process that can be extracted from a variable-temperature IR study are described. Finally, cutting-edge space- and time-resolved experiments are reviewed. All aspects are discussed by reporting relevant examples. When available, the theoretical literature related to the reviewed experimental results is reported to support the interpretation of the vibrational spectra on an atomic level.

  19. Spectroscopy of 215Rn86

    SciTech Connect

    Debray, M. E.; Davidson, M.; Davidson, J.; Hojman, D.; Kreiner, A. J.; Cardona, M. A.; Lenzi, S.; Napoli, D.

    2007-02-12

    The yrast level structure of 215,216Rn has been studied using in beam spectroscopy {alpha} - {gamma} - {gamma} coincidence techniques mainly through the 207Pb(18O, 2{alpha}2n) and 208Pb(18O, 2{alpha}2n) reactions in the 91-93 MeV energy range, using the 8{pi} GASP-ISIS spectrometer at Legnaro. The obtained low lying level scheme of 215Rn does not exhibit the alternating parity structure observed in their heavier known isotones 216Fr, 217Ra and 218Ac. The level scheme of 216Rn resulting from this study shows >From this result, the lightest nucleus showing evidence for reflection asymmetry is 216Fr defining one lowest-mass corner for this kind of phenomenon as N{>=}129 and Z{>=}87.

  20. Terahertz spectroscopy of plasmonic fractals.

    PubMed

    Agrawal, A; Matsui, T; Zhu, W; Nahata, A; Vardeny, Z V

    2009-03-20

    We use terahertz time-domain spectroscopy to study the transmission properties of metallic films perforated with aperture arrays having deterministic or stochastic fractal morphologies ("plasmonic fractals"), and compare them with random aperture arrays. All of the measured plasmonic fractals show transmission resonances and antiresonances at frequencies that correspond to prominent features in their structure factors in k space. However, in sharp contrast to periodic aperture arrays, the resonant transmission enhancement decreases with increasing array size. This property is explained using a density-density correlation function, and is utilized for determining the underlying fractal dimensionality, D(<2). Furthermore, a sum rule for the transmission resonances and antiresonances in plasmonic fractals relative to the transmission of the corresponding random aperture arrays is obtained, and is shown to be universal.

  1. Laser spectroscopy of muonic deuterium.

    PubMed

    Pohl, Randolf; Nez, François; Fernandes, Luis M P; Amaro, Fernando D; Biraben, François; Cardoso, João M R; Covita, Daniel S; Dax, Andreas; Dhawan, Satish; Diepold, Marc; Giesen, Adolf; Gouvea, Andrea L; Graf, Thomas; Hänsch, Theodor W; Indelicato, Paul; Julien, Lucile; Knowles, Paul; Kottmann, Franz; Le Bigot, Eric-Olivier; Liu, Yi-Wei; Lopes, José A M; Ludhova, Livia; Monteiro, Cristina M B; Mulhauser, Françoise; Nebel, Tobias; Rabinowitz, Paul; dos Santos, Joaquim M F; Schaller, Lukas A; Schuhmann, Karsten; Schwob, Catherine; Taqqu, David; Veloso, João F C A; Antognini, Aldo

    2016-08-12

    The deuteron is the simplest compound nucleus, composed of one proton and one neutron. Deuteron properties such as the root-mean-square charge radius rd and the polarizability serve as important benchmarks for understanding the nuclear forces and structure. Muonic deuterium μd is the exotic atom formed by a deuteron and a negative muon μ(-). We measured three 2S-2P transitions in μd and obtain r(d) = 2.12562(78) fm, which is 2.7 times more accurate but 7.5σ smaller than the CODATA-2010 value r(d) = 2.1424(21) fm. The μd value is also 3.5σ smaller than the r(d) value from electronic deuterium spectroscopy. The smaller r(d), when combined with the electronic isotope shift, yields a "small" proton radius r(p), similar to the one from muonic hydrogen, amplifying the proton radius puzzle. PMID:27516595

  2. Field spectroscopy of agricultural crops

    NASA Technical Reports Server (NTRS)

    Bauer, M. E.; Daughtry, C. S. T.; Biehl, L. L.; Kanemasu, E. T.; Hall, F. G.

    1986-01-01

    The development of the full potential of multispectral data acquired from satellites, requires quantitative knowledge, and physical models of the spectral properties of specific earth surface features. Knowledge of the relationships between spectral-radiometric characteristics and important biophysical parameters of agricultural crops and soils can best be obtained by carefully controlled studies of fields or plots. It is important to select plots where data describing the agronomic-biophysical properties of the crop canopies and soil background are attainable, taking into account also the feasibility of frequent timely calibrated spectral measurements. The term 'field spectroscopy' is employed for this research. The present paper is concerned with field research which was sponsored by NASA as part of the AgRISTARS Supporting Research Project. Attention is given to field research objectives, field research instrumentation, measurement procedures, spectral-temporal profile modeling, and the effects of cultural and environmental factors on crop reflectance.

  3. Programmable spectroscopy enabled by DLP

    NASA Astrophysics Data System (ADS)

    Rose, Bjarke; Rasmussen, Michael; Herholdt-Rasmussen, Nicolai; Jespersen, Ole

    2015-03-01

    Ibsen Photonics has since 2012 worked to deploy Texas Instruments DLP® technology to high efficiency, fused silica transmission grating based spectrometers and programmable light sources. The use of Digital Micromirror Devices (DMDs) in spectroscopy, allows for replacement of diode array detectors by single pixel detectors, and for the design of a new generation of programmable light sources, where you can control the relative power, exposure time and resolution independently for each wavelength in your spectrum. We present the special challenges presented by DMD's in relation to stray light and optical throughput, and we comment on the possibility for instrument manufacturers to generate new, dynamic measurement schemes and algorithms for increased speed, higher accuracy, and greater sample protection. We compare DMD based spectrometer designs with competing, diode array based designs, and provide suggestions for target applications of the technology.

  4. Cartilage analysis by reflection spectroscopy

    NASA Astrophysics Data System (ADS)

    Laun, T.; Muenzer, M.; Wenzel, U.; Princz, S.; Hessling, M.

    2015-07-01

    A cartilage bioreactor with analytical functions for cartilage quality monitoring is being developed. For determining cartilage composition, reflection spectroscopy in the visible (VIS) and near infrared (NIR) spectral region is evaluated. Main goal is the determination of the most abundant cartilage compounds water, collagen I and collagen II. Therefore VIS and NIR reflection spectra of different cartilage samples of cow, pig and lamb are recorded. Due to missing analytical instrumentation for identifying the cartilage composition of these samples, typical literature concentration values are used for the development of chemometric models. In spite of these limitations the chemometric models provide good cross correlation results for the prediction of collagen I and II and water concentration based on the visible and the NIR reflection spectra.

  5. Surface inspection using FTIR spectroscopy

    NASA Technical Reports Server (NTRS)

    Powell, G. L.; Smyrl, N. R.; Williams, D. M.; Meyers, H. M., III; Barber, T. E.; Marrero-Rivera, M.

    1995-01-01

    The use of reflectance Fourier transform infrared (FTIR) spectroscopy as a tool for surface inspection is described. Laboratory instruments and portable instruments can support remote sensing probes that can map chemical contaminants on surfaces with detection limits under the best of conditions in the sub-nanometer range, i.e.. near absolute cleanliness, excellent performance in the sub-micrometer range, and useful performance for films tens of microns thick. Examples of discovering and quantifying contamination such as mineral oils and greases, vegetable oils, and silicone oils on aluminum foil, galvanized sheet steel, smooth aluminum tubing, and sandblasted 7075 aluminum alloy and D6AC steel. The ability to map in time and space the distribution of oil stains on metals is demonstrated. Techniques associated with quantitatively applying oils to metals, subsequently verifying the application, and non-linear relationships between reflectance and the quantity oil are described.

  6. Ultraviolet, Visible, and Fluorescence Spectroscopy

    NASA Astrophysics Data System (ADS)

    Penner, Michael H.

    Spectroscopy in the ultraviolet-visible (UV-Vis) range is one of the most commonly encountered laboratory techniques in food analysis. Diverse examples, such as the quantification of macrocomponents (total carbohydrate by the phenol-sulfuric acid method), quantification of microcomponents, (thiamin by the thiochrome fluorometric procedure), estimates of rancidity (lipid oxidation status by the thiobarbituric acid test), and surveillance testing (enzyme-linked immunoassays), are presented in this text. In each of these cases, the analytical signal for which the assay is based is either the emission or absorption of radiation in the UV-Vis range. This signal may be inherent in the analyte, such as the absorbance of radiation in the visible range by pigments, or a result of a chemical reaction involving the analyte, such as the colorimetric copper-based Lowry method for the analysis of soluble protein.

  7. Molecular Force Spectroscopy on Cells

    NASA Astrophysics Data System (ADS)

    Liu, Baoyu; Chen, Wei; Zhu, Cheng

    2015-04-01

    Molecular force spectroscopy has become a powerful tool to study how mechanics regulates biology, especially the mechanical regulation of molecular interactions and its impact on cellular functions. This force-driven methodology has uncovered a wealth of new information of the physical chemistry of molecular bonds for various biological systems. The new concepts, qualitative and quantitative measures describing bond behavior under force, and structural bases underlying these phenomena have substantially advanced our fundamental understanding of the inner workings of biological systems from the nanoscale (molecule) to the microscale (cell), elucidated basic molecular mechanisms of a wide range of important biological processes, and provided opportunities for engineering applications. Here, we review major force spectroscopic assays, conceptual developments of mechanically regulated kinetics of molecular interactions, and their biological relevance. We also present current challenges and highlight future directions.

  8. Coherent frequency combs and spectroscopy

    NASA Astrophysics Data System (ADS)

    Ye, Jun

    2010-03-01

    Optical frequency combs maintain precise phase coherence across the entire visible spectrum and they have profoundly changed optical frequency metrology and ultrafast science, with breakthrough developments in optical atomic clocks, optical frequency synthesis, direct frequency comb spectroscopy (DFCS), high-resolution quantum control, coherent pulse synthesis and amplification, and control of sub-femtosecond electron dynamics in atoms and molecules. DFCS [1] is a new spectroscopic approach that realizes simultaneously broad spectral coverage, high spectral resolution, many parallel detection channels, ultrahigh sensitivity, and real-time analysis [2]. These powerful capabilities have been demonstrated in a series of experiments where identification and quantification of many different molecular states or species are achieved in a massively parallel fashion [3].[4pt] [1] A. Marian et al., Science 306, 2063 (2004). [0pt] [2] M. J. Thorpe et al., Science 311, 1595 (2006). [0pt] [3] M. J. Thorpe & J. Ye, Appl. Phys. B 91, 397 (2008).

  9. Coherent frequency combs and spectroscopy

    NASA Astrophysics Data System (ADS)

    Ye, Jun

    2010-03-01

    Optical frequency combs possessing precise phase coherence across the entire visible spectrum have profoundly changed optical frequency metrology and ultrafast science, with breakthrough developments in optical atomic clocks, optical frequency synthesis, direct frequency comb spectroscopy (DFCS), high-resolution quantum control, coherent pulse synthesis and amplification, and control of sub-femtosecond electron dynamics in atoms and molecules. DFCS [1] is a new spectroscopic approach that embraces simultaneously broad spectral coverage, fine spectral resolution, numerous detection channels, ultrahigh sensitivity, and real-time analysis [2]. These powerful capabilities have been demonstrated in a series of experiments where identification and quantification of many different molecular states or species are achieved in a massively parallel fashion [3]. A range of interesting scientific applications will be discussed. [4pt] [1] A. Marian et al., Science 306, 2063 (2004). [0pt] [2] M. J. Thorpe et al., Science 311, 1595 (2006). [0pt] [3] M. J. Thorpe & J. Ye, Appl. Phys. B 91, 397 (2008).

  10. Screening spectroscopy of prostate cancer

    NASA Astrophysics Data System (ADS)

    Yermolenko, S. B.; Voloshynskyy, D. I.; Fedoruk, O. S.

    2015-11-01

    The aim of the study was to establish objective parameters of the field of laser and incoherent radiation of different spectral ranges (UV, visible, IR) as a non-invasive optical method of interaction with different samples of biological tissues and fluids of patients to determine the state of prostate cancer and choosing the best personal treatment. The objects of study were selected venous blood plasma of patient with prostate cancer, histological sections of rat prostate gland in the postoperative period. As diagnostic methods have been used ultraviolet spectrometry samples of blood plasma in the liquid state, infrared spectroscopy middle range (2,5-25 microns) dry residue of plasma by spectral diagnostic technique of thin histological sections of biological tissues.

  11. Laser spectroscopy and its applications

    SciTech Connect

    Radziemski, L.J.; Solarz, R.W.; Paisner, J.A.

    1987-01-01

    Laser spectroscopy has applications in diverse fields ranging from combustion studies and trace-sample detection to biological research. At the same time, it has also contributed greatly to the discovery of hundreds of new lasers. This symbiotic relationship has promoted an especially rapid expansion of the field. This book provides a review of the subject. It includes, for example, chapters on laser isotope separation techniques, enabling scientists to compare their relative advantages and drawbacks. This volume also gives numerous tables that summarize important features of lasers, experiments, and parameters for quick reference. In addition, it presents diagrams for visualizing rotational molecular energy levels of high J in order to enhance our understanding of molecular motions and their relationship to molecular energy levels. Offering insights into how experts think this technology will improve, it considers research and development in each topic discussed.

  12. Laser spectroscopy of muonic deuterium

    NASA Astrophysics Data System (ADS)

    Pohl, Randolf; Nez, François; Fernandes, Luis M. P.; Amaro, Fernando D.; Biraben, François; Cardoso, João M. R.; Covita, Daniel S.; Dax, Andreas; Dhawan, Satish; Diepold, Marc; Giesen, Adolf; Gouvea, Andrea L.; Graf, Thomas; Hänsch, Theodor W.; Indelicato, Paul; Julien, Lucile; Knowles, Paul; Kottmann, Franz; Le Bigot, Eric-Olivier; Liu, Yi-Wei; Lopes, José A. M.; Ludhova, Livia; Monteiro, Cristina M. B.; Mulhauser, Françoise; Nebel, Tobias; Rabinowitz, Paul; dos Santos, Joaquim M. F.; Schaller, Lukas A.; Schuhmann, Karsten; Schwob, Catherine; Taqqu, David; Veloso, João F. C. A.; Antognini, Aldo

    2016-08-01

    The deuteron is the simplest compound nucleus, composed of one proton and one neutron. Deuteron properties such as the root-mean-square charge radius rd and the polarizability serve as important benchmarks for understanding the nuclear forces and structure. Muonic deuterium μd is the exotic atom formed by a deuteron and a negative muon μ-. We measured three 2S-2P transitions in μd and obtain rd = 2.12562(78) fm, which is 2.7 times more accurate but 7.5σ smaller than the CODATA-2010 value rd = 2.1424(21) fm. The μd value is also 3.5σ smaller than the rd value from electronic deuterium spectroscopy. The smaller rd, when combined with the electronic isotope shift, yields a “small” proton radius rp, similar to the one from muonic hydrogen, amplifying the proton radius puzzle.

  13. Graphene intracavity spaser absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Lozovik, Yu. E.; Nechepurenko, I. A.; Dorofeenko, A. V.

    2016-09-01

    We propose an intracavity plasmon absorption spectroscopy method based on graphene active plasmonics. It is shown that the plasmonic cavity contribution to the sensitivity is proportional to the quality factor Q of the graphene plasmonic cavity and reaches two orders of magnitude. The addition of gain medium into the cavity increases the sensitivity of method. Maximum sensitivity is reached in the vicinity of the plasmon generation threshold. The gain contribution to the sensitivity is proportional to Q1/2. The giant amplification of sensitivity in the graphene plasmon generator is associated with a huge path length, limited only by the decoherence processes. An analytical estimation of the sensitivity to loss caused by analyzed particles (molecules, nanoparticles, etc.) normalized by the single pass plasmon scheme is derived. Usage of graphene nanoflakes as plasmonic cavity allows a high spatial resolution to be reached, in addition to high sensitivity.

  14. Spectroscopy of Isolated Prebiotic Nucleobases

    NASA Technical Reports Server (NTRS)

    Svadlenak, Nathan; Callahan, Michael P.; Ligare, Marshall; Gulian, Lisa; Gengeliczki, Zsolt; Nachtigallova, Dana; Hobza, Pavel; deVries, Mattanjah

    2011-01-01

    We use multiphoton ionization and double resonance spectroscopy to study the excited state dynamics of biologically relevant molecules as well as prebiotic nucleobases, isolated in the gas phase. Molecules that are biologically relevant to life today tend to exhibit short excited state lifetimes compared to similar but non-biologically relevant analogs. The mechanism is internal conversion, which may help protect the biologically active molecules from UV damage. This process is governed by conical intersections that depend very strongly on molecular structure. Therefore we have studied purines and pyrimidines with systematic variations of structure, including substitutions, tautomeric forms, and cluster structures that represent different base pair binding motifs. These structural variations also include possible alternate base pairs that may shed light on prebiotic chemistry. With this in mind we have begun to probe the ultrafast dynamics of molecules that exhibit very short excited states and search for evidence of internal conversions.

  15. Squeezed light spin noise spectroscopy

    NASA Astrophysics Data System (ADS)

    Lucivero, Vito Giovanni; Jiménez-Martínez, Ricardo; Kong, Jia; Mitchell, Morgan

    2016-05-01

    Spin noise spectroscopy (SNS) has recently emerged as a powerful technique for determining physical properties of an unperturbed spin system from its power noise spectrum both in atomic and solid state physics. In the presence of a transverse magnetic field, we detect spontaneous spin fluctuations of a dense Rb vapor via Faraday rotation of an off-resonance probe beam, resulting in the excess of spectral noise at the Larmor frequency over a white photon shot-noise background. We report quantum enhancement of the signal-to-noise ratio via polarization squeezing of the probe beam up to 3dB over the full density range up to n = 1013 atoms cm-3, covering practical conditions used in optimized SNS experiments. Furthermore, we show that squeezing improves the trade-off between statistical sensitivity and systematic errors due to line broadening, a previously unobserved quantum advantage.

  16. Laser spectroscopy of muonic deuterium

    NASA Astrophysics Data System (ADS)

    Pohl, Randolf; Nez, François; Fernandes, Luis M. P.; Amaro, Fernando D.; Biraben, François; Cardoso, João M. R.; Covita, Daniel S.; Dax, Andreas; Dhawan, Satish; Diepold, Marc; Giesen, Adolf; Gouvea, Andrea L.; Graf, Thomas; Hänsch, Theodor W.; Indelicato, Paul; Julien, Lucile; Knowles, Paul; Kottmann, Franz; Le Bigot, Eric-Olivier; Liu, Yi-Wei; Lopes, José A. M.; Ludhova, Livia; Monteiro, Cristina M. B.; Mulhauser, Françoise; Nebel, Tobias; Rabinowitz, Paul; dos Santos, Joaquim M. F.; Schaller, Lukas A.; Schuhmann, Karsten; Schwob, Catherine; Taqqu, David; Veloso, João F. C. A.; Antognini, Aldo

    2016-08-01

    The deuteron is the simplest compound nucleus, composed of one proton and one neutron. Deuteron properties such as the root-mean-square charge radius rd and the polarizability serve as important benchmarks for understanding the nuclear forces and structure. Muonic deuterium μd is the exotic atom formed by a deuteron and a negative muon μ–. We measured three 2S-2P transitions in μd and obtain rd = 2.12562(78) fm, which is 2.7 times more accurate but 7.5σ smaller than the CODATA-2010 value rd = 2.1424(21) fm. The μd value is also 3.5σ smaller than the rd value from electronic deuterium spectroscopy. The smaller rd, when combined with the electronic isotope shift, yields a “small” proton radius rp, similar to the one from muonic hydrogen, amplifying the proton radius puzzle.

  17. Raman spectroscopy peer review report

    SciTech Connect

    Winkelman, W.D.; Eberlein, S.J.

    1994-09-01

    The Hanford Site in eastern Washington includes 177 underground storage tanks (UST), which contain waste materials produced during the production of nuclear fuels. The materials in the tanks must be characterized to support the retrieval, processing, and final disposition of the waste. Characterization is currently performed by removing waste samples for analyses in a hot cell or laboratory. A review of the Hanford Raman Spectroscopy Program was held in Richland on March 23 and 24, 1994. A team of principal investigators and researchers made presentations that covered both technical and programmatic aspects of the Hanford Site Raman work. After these presentations and discussions, the review panel met in a closed session to formalize a list of findings. The reviewers agreed that Raman spectroscopy is an excellent method to attack the tank waste characterization and screening problems that were presented. They agreed that there was a good chance that the method would be successful as presently envisioned. The reviewers provided the following primary recommendations: evaluation a laser with wavelength in the near infrared; provide optical filters at or near the sampling end of the fiber-optic probe; develop and implement a strategy for frequent calibration of the system; do not try to further increase Raman resolution at the expense of wavelength range; clearly identify and differentiate between requirements for providing a short-term operational system and requirements for optimizing a system for long-term field use; and determine the best optical configuration, which may include reduced fiber-optic diameter and/or short focal length and low F-number spectrographs.

  18. Photoacoustic spectroscopy sample array vessels and photoacoustic spectroscopy methods for using the same

    DOEpatents

    Amonette, James E.; Autrey, S. Thomas; Foster-Mills, Nancy S.

    2006-02-14

    Methods and apparatus for simultaneous or sequential, rapid analysis of multiple samples by photoacoustic spectroscopy are disclosed. Particularly, a photoacoustic spectroscopy sample array vessel including a vessel body having multiple sample cells connected thereto is disclosed. At least one acoustic detector is acoustically positioned near the sample cells. Methods for analyzing the multiple samples in the sample array vessels using photoacoustic spectroscopy are provided.

  19. Photoacoustic spectroscopy sample array vessel and photoacoustic spectroscopy method for using the same

    DOEpatents

    Amonette, James E.; Autrey, S. Thomas; Foster-Mills, Nancy S.; Green, David

    2005-03-29

    Methods and apparatus for analysis of multiple samples by photoacoustic spectroscopy are disclosed. Particularly, a photoacoustic spectroscopy sample array vessel including a vessel body having multiple sample cells connected thereto is disclosed. At least one acoustic detector is acoustically coupled with the vessel body. Methods for analyzing the multiple samples in the sample array vessels using photoacoustic spectroscopy are provided.

  20. NMR Spectroscopy and Its Value: A Primer

    ERIC Educational Resources Information Center

    Veeraraghavan, Sudha

    2008-01-01

    Nuclear magnetic resonance (NMR) spectroscopy is widely used by chemists. Furthermore, the use of NMR spectroscopy to solve structures of macromolecules or to examine protein-ligand interactions is popular. Yet, few students entering graduate education in biological sciences have been introduced to this method or its utility. Over the last six…

  1. Nonlinear Spectroscopy of Rubidium: An Undergraduate Experiment

    ERIC Educational Resources Information Center

    Jacques, V.; Hingant, B.; Allafort, A.; Pigeard, M.; Roch, J. F.

    2009-01-01

    In this paper, we describe two complementary nonlinear spectroscopy methods which both allow one to achieve Doppler-free spectra of atomic gases. First, saturated absorption spectroscopy is used to investigate the structure of the 5S[subscript 1/2] [right arrow] 5P[subscript 3/2] transition in rubidium. Using a slightly modified experimental…

  2. Molecular ions, Rydberg spectroscopy and dynamics

    SciTech Connect

    Jungen, Ch.

    2015-01-22

    Ion spectroscopy, Rydberg spectroscopy and molecular dynamics are closely related subjects. Multichannel quantum defect theory is a theoretical approach which draws on this close relationship and thereby becomes a powerful tool for the study of systems consisting of a positively charged molecular ion core interacting with an electron which may be loosely bound or freely scattering.

  3. Heavy Flavor Spectroscopy at the Tevatron

    SciTech Connect

    Yi, Kai; /Iowa U.

    2010-05-01

    The Tevatron experiments have each accumulated about 6 fb{sup -1} of good data since the start of Run II. This large dataset provides excellent opportunities for heavy flavor spectroscopy studies at the Tevatron. This article will cover the latest {Upsilon}(nS) polarization studies as well as exotic meson spectroscopy results.

  4. Laser-induced breakdown spectroscopy combined with spatial heterodyne spectroscopy.

    PubMed

    Gornushkin, Igor B; Smith, Ben W; Panne, Ulrich; Omenetto, Nicoló

    2014-01-01

    A spatial heterodyne spectrometer (SHS) is tested for the first time in combination with laser-induced breakdown spectroscopy (LIBS). The spectrometer is a modified version of the Michelson interferometer in which mirrors are replaced by diffraction gratings. The SHS contains no moving parts and the gratings are fixed at equal distances from the beam splitter. The main advantage is high throughput, about 200 times higher than that of dispersive spectrometers used in LIBS. This makes LIBS-SHS a promising technique for low-light standoff applications. The output signal of the SHS is an interferogram that is Fourier-transformed to retrieve the original plasma spectrum. In this proof-of-principle study, we investigate the potential of LIBS-SHS for material classification and quantitative analysis. Brass standards with broadly varying concentrations of Cu and Zn were tested. Classification via principal component analysis (PCA) shows distinct groupings of materials according to their origin. The quantification via partial least squares regression (PLS) shows good precision (relative standard deviation < 10%) and accuracy (within ± 5% of nominal concentrations). It is possible that LIBS-SHS can be developed into a portable, inexpensive, rugged instrument for field applications. PMID:25226262

  5. Fourier Transform Infrared Spectroscopy and Photoacoustic Spectroscopy for Saliva Analysis.

    PubMed

    Mikkonen, Jopi J W; Raittila, Jussi; Rieppo, Lassi; Lappalainen, Reijo; Kullaa, Arja M; Myllymaa, Sami

    2016-09-01

    Saliva provides a valuable tool for assessing oral and systemic diseases, but concentrations of salivary components are very small, calling the need for precise analysis methods. In this work, Fourier transform infrared (FT-IR) spectroscopy using transmission and photoacoustic (PA) modes were compared for quantitative analysis of saliva. The performance of these techniques was compared with a calibration series. The linearity of spectrum output was verified by using albumin-thiocyanate (SCN(-)) solution at different SCN(-) concentrations. Saliva samples used as a comparison were obtained from healthy subjects. Saliva droplets of 15 µL were applied on the silicon sample substrate, 6 drops for each specimen, and dried at 37 ℃ overnight. The measurements were carried out using an FT-IR spectrometer in conjunction with an accessory unit for PA measurements. The findings with both transmission and PA modes mirror each other. The major bands presented were 1500-1750 cm(-1) for proteins and 1050-1200 cm(-1) for carbohydrates. In addition, the distinct spectral band at 2050 cm(-1) derives from SCN(-) anions, which is converted by salivary peroxidases to hypothiocyanate (OSCN(-)). The correlation between the spectroscopic data with SCN(-) concentration (r > 0.990 for transmission and r = 0.967 for PA mode) was found to be significant (P < 0.01), thus promising to be utilized in future applications.

  6. Ultrafast spectroscopy of novel materials

    NASA Astrophysics Data System (ADS)

    Hardison, Lindsay M.

    My research focused on steady state and time-resolved photophysical characterization of a series of semiconductor nanoparticles and water soluble conjugated polyelectrolytes. Several studies have shown that the electronic structure and relaxation dynamics in CdSe nanocrystals are not only size but are also shape and passivation dependent; however, there is no detailed comparison of the photophysical properties of ZnCdSe particles with different relative amounts of Zn. This dissertation presents data collected for colloidal CdSe, CdSe/ZnSe and ZnCdSe nanoparticles with rod-like architectures synthesized and investigated in our labs to determine how size, shape, passivation and composition affect the quantum confinement and dynamics. In addition, a series of different polymer repeat unit lengths of a linear conjugated polyelectrolyte (CPE) with a carboxylate ionic side chain have been synthesized and their photophysical properties have been explored. Spectral shifts and line broadening exhibited within the Raman spectroscopy, UV-Vis spectroscopy and photoluminescence aided in determining the extent of alloying and compositional disorder created during the alloying process. The photoluminescence quantum yield of ZnCdSe nanorods is higher than that from pristine CdSe nanorods indicating a higher binding energy of the exciton. This effect is speculated to be due to increased localization of the exciton as a result of fluctuations in the composition, ultimately resulting in increases in luminescence efficiencies. Moreover, time-resolved photoluminescence characterized lifetimes of nanoparticles with similar shape but different composition. Emission of an inhomogeneous population distribution (different sizes, shapes or composition) leads to the simultaneous probing of particles with different decaying rates. A stretched exponential function, I(t)= A*exp[-(t/tau) beta], can be used to describe these systems, where beta <1 corresponds to disperse populations. In the

  7. Modulation Spectroscopy of Semiconductor Nanocrystals

    NASA Astrophysics Data System (ADS)

    Stokes, Kevin L.

    1995-11-01

    The optical and electro-optical properties of nanometer-sized CdS_{X}Se _{1-X} crystallites embedded in a glass matrix are investigated. The goal of this study is to understand not only the effect of confinement on the electronic energy levels, but also the nature of the electron-hole excited states and their response to electric field. Electro- and photo- modulated absorption spectroscopies are the primary experimental tools. The electric-field response of CdS_ {0.44}Se_{0.56} nanoparticles in glass is studied as a function of particle size using electroabsorption spectroscopy. New transitions appear as confinement increases--up to six quantum-size levels can be observed in the data. The evolution of the transitions through many particle sizes provides evidence for mixing of the valence bands due to quantum confinement. Transitions involving electron-hole envelope functions with S-like symmetry are the most sensitive to electric field. The electromodulated absorption data were fit with a first-derivative lineshape function to separate the effects of the electric field on the energy level, width, and oscillator strength associated with each electron -hole state. The electroabsorption magnitude is a strong function of particle size and the modulation mechanisms also change with particle size. Frequency-, intensity- and temperature-dependent photoabsorption were used to study deep trap states in CdS_{0.44}Se_ {0.56} particles in glass. The photo -induced change in absorption consists of two components: (1) bleaching, due to phase-space filling of the lowest excited state and (2) a carrier-induced electric-field effect involving a long-lived trap state. The electroabsorption lineshape in the large (R = 6.2 nm) particles is found to be sensitive to the intensity of an additional pump beam. This effect is caused by the formation of two electron-hole pair states in the nanoparticle. One electron-hole pair is bound to a long-lived trap and the second electron-hole state

  8. Raman Spectroscopy of Ocular Tissue

    NASA Astrophysics Data System (ADS)

    Ermakov, Igor V.; Sharifzadeh, Mohsen; Gellermann, Warner

    The optically transparent nature of the human eye has motivated numerous Raman studies aimed at the non-invasive optical probing of ocular tissue components critical to healthy vision. Investigations include the qualitative and quantitative detection of tissue-specific molecular constituents, compositional changes occurring with development of ocular pathology, and the detection and tracking of ocular drugs and nutritional supplements. Motivated by a better understanding of the molecular mechanisms leading to cataract formation in the aging human lens, a great deal of work has centered on the Raman detection of proteins and water content in the lens. Several protein groups and the hydroxyl response are readily detectable. Changes of protein compositions can be studied in excised noncataractous tissue versus aged tissue preparations as well as in tissue samples with artificially induced cataracts. Most of these studies are carried out in vitro using suitable animal models and conventional Raman techniques. Tissue water content plays an important role in optimum light transmission of the outermost transparent ocular structure, the cornea. Using confocal Raman spectroscopy techniques, it has been possible to non-invasively measure the water to protein ratio as a measure of hydration status and to track drug-induced changes of the hydration levels in the rabbit cornea at various depths. The aqueous humor, normally supplying nutrients to cornea and lens, has an advantageous anterior location for Raman studies. Increasing efforts are pursued to non-invasively detect the presence of glucose and therapeutic concentrations of antibiotic drugs in this medium. In retinal tissue, Raman spectroscopy proves to be an important tool for research into the causes of macular degeneration, the leading cause of irreversible vision disorders and blindness in the elderly. It has been possible to detect the spectral features of advanced glycation and advanced lipooxydation end products in

  9. HET Spectroscopy of Extragalactic Novae

    NASA Astrophysics Data System (ADS)

    Shafter, Allen W.; Coelho, E. A.; Misselt, K. A.; Bode, M. F.; Darnley, M. J.

    2006-12-01

    We are currently involved in a multifaceted campaign to study extragalactic novae in the optical and IR using a variety of instruments: The Mount Laguna 1m, the Steward 2.3m, and the Liverpool 2m telescopes for optical imaging, the Hobbey-Eberly Telescope (HET) for optical spectroscopy, and the Spitzer Space Telescope for IR photometry and spectroscopy. Here, we report the initial results from our program of spectroscopic observations obtained with the LRS on the HET. Thus far, we have obtained spectra of three novae: Nova M31-2006#9 (ATEL 887), Nova M32-2006#1 (CBET 591), and Nova M33-2006#1 (CBET 655), which were taken on 24-Sep-2006 UT, 30-Sep-2006 UT, and 02-Oct-2006 UT, approximately 6, 65, and 4 days post discovery, for the three novae respectively. The spectra of Nova M31-2006#9 and Nova M33-2006#1 revealed prominent Balmer (FWHM 1600 km/s) and Fe II emission lines typical of the "Fe II" class in the classification system of Williams (1992 AJ, 104, 725). The spectrum of Nova M32-2006#1, which was obtained much longer after eruption, showed strong H-alpha (FWHM 1300 km/s), along with weaker H-beta, Fe II, and [N II] 5755, indicating that this nova is also a member of the Fe II class, and that it had entered the nebular phase at the time of our observations. In addition to these three novae, we also attempted to obtain a spectrum of Nova M31-2006#7 (CBET 615) on 23-Sep-2006 UT, approximately three weeks after discovery. However, by the time of our observations, the nova had faded to invisibility. An 1800s integration at the reported position reveled no trace of the nova. It is likely that this optical transient was an unusually fast nova, possibly of the "He/N" class. This work is being supported in part by NSF grant AST-0607682.

  10. Infrared spectroscopy in biomedical diagnostics

    NASA Astrophysics Data System (ADS)

    Afanasyeva, Natalia I.; Kolyakov, Sergei F.; Letokhov, Vladilen S.; Artioushenko, Vjacheslav G.; Golovkina, Viktoriya N.

    1998-01-01

    Fiberoptic evanescent wave Fourier transform infrared (FEW- FTIR) spectroscopy using fiberoptic sensors operated in the attenuated total reflection (ATR) regime in the middle infrared (IR) region of the spectrum (850 - 1850 cm-1) has recently found application in the diagnostics of tissues. The method is suitable for noninvasive and rapid (seconds) direct measurements of the spectra of normal and pathological tissues in vitro, ex vivo and in vivo. The aim of our studies is the express testing of various tumor tissues at the early stages of their development. The method is expected to be further developed for endoscopic and biopsy applications. We measured in vivo the skin normal and malignant tissues on surface (directly on patients) in various cases of basaloma, melanoma and nevus. The experiments were performed in the operating room for measurements of skin in the depth (under/in the layers of epidermis), human breast, stomach, lung, kidney tissues. The breast and skin tissues at different stages of tumor or cancer were distinguished very clearly in spectra of amide, side cyclic and noncyclic hydrogen bonded fragments of amino acid residuals, phosphate groups and sugars. Computer monitoring is being developed for diagnostics.

  11. Fluorescence Spectroscopy in a Shoebox

    NASA Astrophysics Data System (ADS)

    Farooq Wahab, M.

    2007-08-01

    This article describes construction of a simple, inexpensive fluorometer. It utilizes a flashlight or sunlight source, highlighter marker ink, bowl of water with mirror as dispersing element, and colored cellophane sheets as filters. The human eye is used as a detector. This apparatus is used to demonstrate important concepts related to fluorescence spectroscopy. Using ink from a highlighter marker, one can demonstrate the difference between light scattering and fluorescence emission, the need for an intense light source, phenomenon of the Stokes shift, the choice of filters, the preferred geometry of excitation source and emission detector, and the low detection limits that can be achieved by fluorescence measurements. By reflecting the fluorescence emission from a compact disk, it can be seen that the light emitted by molecules is not monochromatic. Furthermore, a spectrofluorometer is constructed using gratings made from a DVD or a CD. The shoebox fluorometer and spectrofluorometer can serve as useful teaching aids in places where commercial instruments are not available, and it avoids the black box problem of modern instruments.

  12. Measuring Gravitation Using Polarization Spectroscopy

    NASA Technical Reports Server (NTRS)

    Matsko, Andrey; Yu, Nan; Maleki, Lute

    2004-01-01

    A proposed method of measuring gravitational acceleration would involve the application of polarization spectroscopy to an ultracold, vertically moving cloud of atoms (an atomic fountain). A related proposed method involving measurements of absorption of light pulses like those used in conventional atomic interferometry would yield an estimate of the number of atoms participating in the interferometric interaction. The basis of the first-mentioned proposed method is that the rotation of polarization of light is affected by the acceleration of atoms along the path of propagation of the light. The rotation of polarization is associated with a phase shift: When an atom moving in a laboratory reference interacts with an electromagnetic wave, the energy levels of the atom are Doppler-shifted, relative to where they would be if the atom were stationary. The Doppler shift gives rise to changes in the detuning of the light from the corresponding atomic transitions. This detuning, in turn, causes the electromagnetic wave to undergo a phase shift that can be measured by conventional means. One would infer the gravitational acceleration and/or the gradient of the gravitational acceleration from the phase measurements.

  13. Spectroscopy of {sup 257}Rf

    SciTech Connect

    Qian, J.; Heinz, A.; Winkler, R.; Khoo, T. L.; Janssens, R. V. F.; Peterson, D.; Seweryniak, D.; Ahmad, I.; Back, B. B.; Carpenter, M. P.; Greene, J. P.; Jiang, C. L.; Kondev, F. G.; Lauritsen, T.; Lister, C. J.; Robinson, A.; Savard, G.; Scott, R.; Vondrasek, R.; Wang, X.

    2009-06-15

    The isotope {sup 257}Rf was produced in the fusion-evaporation reaction {sup 208}Pb({sup 50}Ti,n){sup 257}Rf. Reaction products were separated and identified by mass. Delayed spectroscopy of {sup 257}Rf and its decay products was performed. A partial decay scheme with configuration assignments is proposed based on {alpha} hindrance factors. The excitation energy of the 1/2{sup +}[620] configuration in {sup 253}No is proposed. The energy of this 1/2{sup +} state in a series of N=151 isotones increases with nuclear charge, reflecting an increase in the N=152 gap. This gap is deduced to grow substantially from 850 to 1400 keV between Z=94 and 102. An isomeric state in {sup 257}Rf, with a half-life of 160{sub -31}{sup +42} {mu}s, was discovered by detecting internal conversion electrons followed by {alpha} decay. It is interpreted as a three-quasiparticle high-K isomer. A second group of internal conversion electrons, with a half-life of 4.1{sub -1.3}{sup +2.4} s, followed by {alpha} decay, was also observed. These events might originate from the decay of excited states in {sup 257}Lr, populated by electron-capture decay of {sup 257}Rf. Fission of {sup 257}Rf was unambiguously detected, with a branching ratio of b{sub Rf}{sup SF}=0.02{+-}0.01.

  14. PAC spectroscopy of electronic ceramics

    SciTech Connect

    Gardner, J.A.; Wang, Ruiping; Schwenker, R. . Dept. of Physics); Evenson, W.E. . Dept. of Physics and Astronomy); Rasera, R.L. . Dept. of Physics); Sommers, J.A. )

    1991-01-01

    Dilute indium dopants in cerium oxides and YBa{sub 2}Cu{sub 3}O{sub x} have been studied by{sup 111}In/Cd Perturbed Angular Correlation (PAC) spectroscopy. By controlling oxygen vacancy concentration in the cerium oxides through doping or high-temperature vacuum annealing, we have found that indium always forms a defect complex unless the sample is doped to reduce greatly the oxygen vacancy concentration. Three different vacancy-associated complexes are found with concentrations that depend on doping and oxygen stoichiometry. Another defect complex occurs in samples having negligible vacancy concentration. At low temperatures, evidence is found of interaction with an electronic hole trapped by {sup 111}Cd after the radioactive decay of the {sup 111}In parent. In YBa{sub 2}Cu{sub 3}O{sub x} the indium substitutes preferentially at the Y site but has measurable probability of substitution in at least one of the two copper sites. A symmetry change near 650 {degree}C is consistent with the well-documented orthorhombic/tetragonal transition for samples in air or oxygen.

  15. PAC spectroscopy of electronic ceramics

    SciTech Connect

    Gardner, J.A.; Wang, Ruiping; Schwenker, R.; Evenson, W.E.; Rasera, R.L.; Sommers, J.A.

    1991-12-31

    Dilute indium dopants in cerium oxides and YBa{sub 2}Cu{sub 3}O{sub x} have been studied by{sup 111}In/Cd Perturbed Angular Correlation (PAC) spectroscopy. By controlling oxygen vacancy concentration in the cerium oxides through doping or high-temperature vacuum annealing, we have found that indium always forms a defect complex unless the sample is doped to reduce greatly the oxygen vacancy concentration. Three different vacancy-associated complexes are found with concentrations that depend on doping and oxygen stoichiometry. Another defect complex occurs in samples having negligible vacancy concentration. At low temperatures, evidence is found of interaction with an electronic hole trapped by {sup 111}Cd after the radioactive decay of the {sup 111}In parent. In YBa{sub 2}Cu{sub 3}O{sub x} the indium substitutes preferentially at the Y site but has measurable probability of substitution in at least one of the two copper sites. A symmetry change near 650 {degree}C is consistent with the well-documented orthorhombic/tetragonal transition for samples in air or oxygen.

  16. THz Spectroscopy of the Atmosphere

    NASA Technical Reports Server (NTRS)

    Pickett, Herbert M.

    2000-01-01

    THz spectroscopy of the atmosphere has been driven by the need to make remote sensing measurements of OH. While the THz region can be used for sensitive detection on many atmospheric molecules, the THz region is the best region for measuring the diurnal behavior of stratospheric OH by remote sensing. The infrared region near 3 microns suffers from chemiluminescence and from spectral contamination due to water. The ultraviolet region near 300 nm requires solar illumination. The three techniques for OH emission measurements in the THz region include Fourier Transform interferometry, Fabry-Perot interferometry, and heterodyne radiometry. The first two use cryogenic direct detectors while the last technique uses a local oscillator and a mixer to down convert the THz signal to GHz frequencies. All techniques have been used to measure stratospheric OH from balloon platforms. OH results from the Fabry-Perot based FILOS instrument will be given. Heterodyne measurement of OH at 2.5 THz has been selected to be a component of the Microwave Limb Sounder on the Earth Observing System CHEM-1 polar satellite. The design of this instrument will be described. A balloon-based prototype heterodyne 2.5 THz radiometer had its first flight on, 24 May 1998. Results form this flight will be presented.

  17. Differentiating tissue by fluorescence spectroscopy

    NASA Astrophysics Data System (ADS)

    Woessner, Stefan; Huen, Julien; Malthan, Dirk

    2004-03-01

    A common problem in several surgical applications is the lack of navigational information. Most often, the only source of information about the location of crucial structures, in relation to the surgical instrument, is the visible and tactile sensory input of the surgeon. In some cases, this leads to time-consuming procedures and a high risk for the patient. Therefore, we developed a spectroscopic sensor system for automatic differentiation between several tissue types. For example in milling processes, a sensor that is able to detect bone in contrast to nerve or vein tissue can be used to control the milling process. We showed exemplarily for the cochlea implant, a typical ENT-surgery, that with the help of our sensor system, the milling of bone can be accelerated without increasing the risk for the patient. It is also possible to use this type of sensor system in the area of medical robotics in soft-tissue applications. With real-time information, a continuous registration can take place, in contrast to a registration that is done using static preoperatively acquired images. We showed that our sensor system can be used to dynamically update the location of the patient in relation to CT or MR-images. In conclusion, we have been able to show that well-known spectroscopy sensors can be used to open new possibilities in medical treatment with and without the use of robotics.

  18. Biomedical applications of laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Svanberg, Sune

    1999-07-01

    Very soon after the invention of the laser, the use of the thermal effects of the radiation was introduced. Such techniques have been refined and the laser is now routinely used for treatment in many specialities. Photodynamic therapy (PDT) is a non-thermal modality employing the combination of a tumor-seeking agent and activating laser light. During the last 15 years laser spectroscopic techniques have also been developed providing powerful means for non-intrusive medical diagnostics of tissue in real time. At the beginning only few groups were involved in exploratory work, but successively the field has developed now to occupy a large number of research teams, which meet at large specialized conferences. We will here consider three aspects of laser diagnostics: fluorescence, Raman and near-IR, and elastic scattering spectroscopy, and we will also briefly discuss PDT. The activity in the field is very extensive, and rather than trying to give a full overview, illustrations from work performed at the Lund University Medical Laser Center will be given.

  19. Ultraviolet Spectroscopy of Narrow CMEs

    NASA Astrophysics Data System (ADS)

    Dobrzycka, D.; Raymond, J. C.; Biesecker, D. A.; Li, J.; Ciaravella, A.

    2002-12-01

    Coronal mass ejections (CMEs) are commonly described as new, discrete, bright features appearing in the field of view of a white light coronagraph and moving outward over a period of minutes to hours. Apparent angular widths of the CMEs cover a wide range, from few to 360°. The very narrow structures (narrower than ~15-20°) form only a small subset of all the observed CMEs and are usually referred to as rays, spikes, fans, etc. Recently, Gilbert et al. (2001, ApJ, 550, 1093) reported LASCO white light observations of 15 selected narrow CMEs. We extended the study and analyzed ultraviolet spectroscopy of narrow ejections, including several events listed by Gilbert et al. The data were obtained by the Ultraviolet Coronagraph Spectrometer (UVCS/SOHO). We present comparison of narrow and large CMEs and discuss the relation of the narrow CMEs to coronal jets and/or other narrow transient events. This work is supported by NASA under Grant NAG5-11420 to the Smithsonian Astrophysical Observatory, by the Italian Space Agency and by PRODEX (Swiss contribution).

  20. In-cell NMR spectroscopy.

    PubMed

    Serber, Zach; Corsini, Lorenzo; Durst, Florian; Dötsch, Volker

    2005-01-01

    The role of a protein inside a cell is determined by both its location and its conformational state. Although fluorescence techniques are widely used to determine the cellular localization of proteins in vivo, these approaches cannot provide detailed information about a protein's three-dimensional state. This gap, however, can be filled by NMR spectroscopy, which can be used to investigate both the conformation as well as the dynamics of proteins inside living cells. In this chapter we describe technical aspects of these "in-cell NMR" experiments. In particular, we show that in the case of (15)N-labeling schemes the background caused by labeling all cellular components is negligible, while (13)C-based experiments suffer from high background levels and require selective labeling schemes. A correlation between the signal-to-noise ratio of in-cell NMR experiments with the overexpression level of the protein shows that the current detection limit is 150-200 muM (intracellular concentration). We also discuss experiments that demonstrate that the intracellular viscosity is not a limiting factor since the intracellular rotational correlation time is only approximately two times longer than the correlation time in water. Furthermore, we describe applications of the technique and discuss its limitations. PMID:15808216

  1. INSTRUMENTATION FOR FAR INFRARED SPECTROSCOPY.

    SciTech Connect

    GRIFFITHS, P.R.; HOMES, C.

    2001-05-04

    Fourier transform spectrometers developed in three distinct spectral regions in the early 1960s. Pierre Connes and his coworkers in France developed remarkably sophisticated step-scan interferometers that permitted near-infrared spectra to be measured with a resolution of better than 0.0 1 cm{sup {minus}1}. These instruments may be considered the forerunners of the step-scan interferometers made by Bruker, Bio-Rad (Cambridge, MA, USA) and Nicolet although their principal application was in the field of astronomy. Low-resolution rapid-scanning interferometers were developed by Larry Mertz and his colleagues at Block Engineering (Cambridge, MA, USA) for remote sensing. Nonetheless, the FT-IR spectrometers that are so prevalent in chemical laboratories today are direct descendants of these instruments. The interferometers that were developed for far-infrared spectrometry in Gebbie's laboratory ,have had no commercial counterparts for at least 15 years. However, it could be argued that these instruments did as much to demonstrate the power of Fourier transform spectroscopy to the chemical community as any of the instruments developed for mid- and near-infrared spectrometry. Their performance was every bit as good as today's rapid-scanning interferometers. However, the market for these instruments is so small today that it has proved more lucrative to modify rapid-scanning interferometers that were originally designed for mid-infrared spectrometry than to compete with these instruments with slow continuous scan or step-scan interferometers.

  2. Mass resolved resonance ionization spectroscopy of combustion radicals

    SciTech Connect

    Not Available

    1992-06-23

    This report discusses the following topics: REMPI spectroscopy of HCO and DCO; Rempi spectroscopy of the ethynyl radical; REMPI spectroscopy of new electronic states of C{sub 2}; and a flame sampling laser ionization mass spectrometer.

  3. Frequency comb velocity-modulation spectroscopy.

    PubMed

    Sinclair, Laura C; Cossel, Kevin C; Coffey, Tyler; Ye, Jun; Cornell, Eric A

    2011-08-26

    We have demonstrated a new technique that provides massively parallel comb spectroscopy sensitive specifically to ions through the combination of cavity-enhanced direct frequency comb spectroscopy with velocity-modulation spectroscopy. Using this novel system, we have measured electronic transitions of HfF⁺ and achieved a fractional absorption sensitivity of 3×10⁻⁷ recorded over 1500 simultaneous channels spanning 150  cm⁻¹ around 800 nm with an absolute frequency accuracy of 30 MHz (0.001  cm⁻¹). A fully sampled spectrum consisting of interleaved measurements is acquired in 30 min.

  4. Synchronous luminescence spectroscopy of human breast tissues

    NASA Astrophysics Data System (ADS)

    Majumdar, S. K.; Gupta, P. K.

    1998-06-01

    We report, to our knowledge, the first use of synchronous luminescence (SL) spectroscopy for autofluorescence diagnosis of cancer. The spectral narrowing effect of the SL spectroscopy led to an easier identification of the different fluorophores present in human breast tissues and provided relative estimate of their concentration in qualitative agreement with the estimates obtained from conventional excitation and emission spectroscopy. Further, the SL spectra from human breast tissues could discriminate cancerous tissues from benign tumors and normal tissues with a sensitivity and specificity of 100% in a study involving 34 patients with breast tumor (19 ductal carcinomas and 15 fibroadenomas).

  5. Method and apparatus for optoacoustic spectroscopy

    DOEpatents

    Amer, Nabil M.

    1979-01-01

    A method and apparatus that significantly increases the sensitivity and flexibility of laser optoacoustic spectroscopy, with reduced size. With the method, it no longer is necessary to limit the use of laser optoacoustic spectroscopy to species whose absorption must match available laser radiation. Instead, "doping" with a relatively small amount of an optically absorbing gas yields optoacoustic signatures of nonabsorbing materials (gases, liquids, solids, and aerosols), thus significantly increasing the sensitivity and flexibility of optoacoustic spectroscopy. Several applications of this method are demonstated and/or suggested.

  6. Enzyme dynamics from NMR spectroscopy.

    PubMed

    Palmer, Arthur G

    2015-02-17

    CONSPECTUS: Biological activities of enzymes, including regulation or coordination of mechanistic stages preceding or following the chemical step, may depend upon kinetic or equilibrium changes in protein conformations. Exchange of more open or flexible conformational states with more closed or constrained states can influence inhibition, allosteric regulation, substrate recognition, formation of the Michaelis complex, side reactions, and product release. NMR spectroscopy has long been applied to the study of conformational dynamic processes in enzymes because these phenomena can be characterized over multiple time scales with atomic site resolution. Laboratory-frame spin-relaxation measurements, sensitive to reorientational motions on picosecond-nanosecond time scales, and rotating-frame relaxation-dispersion measurements, sensitive to chemical exchange processes on microsecond-millisecond time scales, provide information on both conformational distributions and kinetics. This Account reviews NMR spin relaxation studies of the enzymes ribonuclease HI from mesophilic (Escherichia coli) and thermophilic (Thermus thermophilus) bacteria, E. coli AlkB, and Saccharomyces cerevisiae triosephosphate isomerase to illustrate the contributions of conformational flexibility and dynamics to diverse steps in enzyme mechanism. Spin relaxation measurements and molecular dynamics (MD) simulations of the bacterial ribonuclease H enzymes show that the handle region, one of three loop regions that interact with substrates, interconverts between two conformations. Comparison of these conformations with the structure of the complex between Homo sapiens ribonuclease H and a DNA:RNA substrate suggests that the more closed state is inhibitory to binding. The large population of the closed conformation in T. thermophilus ribonuclease H contributes to the increased Michaelis constant compared with the E. coli enzyme. NMR spin relaxation and fluorescence spectroscopy have characterized a

  7. Enzyme Dynamics from NMR Spectroscopy

    PubMed Central

    2016-01-01

    Conspectus Biological activities of enzymes, including regulation or coordination of mechanistic stages preceding or following the chemical step, may depend upon kinetic or equilibrium changes in protein conformations. Exchange of more open or flexible conformational states with more closed or constrained states can influence inhibition, allosteric regulation, substrate recognition, formation of the Michaelis complex, side reactions, and product release. NMR spectroscopy has long been applied to the study of conformational dynamic processes in enzymes because these phenomena can be characterized over multiple time scales with atomic site resolution. Laboratory-frame spin-relaxation measurements, sensitive to reorientational motions on picosecond–nanosecond time scales, and rotating-frame relaxation-dispersion measurements, sensitive to chemical exchange processes on microsecond–millisecond time scales, provide information on both conformational distributions and kinetics. This Account reviews NMR spin relaxation studies of the enzymes ribonuclease HI from mesophilic (Escherichia coli) and thermophilic (Thermus thermophilus) bacteria, E. coli AlkB, and Saccharomyces cerevisiae triosephosphate isomerase to illustrate the contributions of conformational flexibility and dynamics to diverse steps in enzyme mechanism. Spin relaxation measurements and molecular dynamics (MD) simulations of the bacterial ribonuclease H enzymes show that the handle region, one of three loop regions that interact with substrates, interconverts between two conformations. Comparison of these conformations with the structure of the complex between Homo sapiens ribonuclease H and a DNA:RNA substrate suggests that the more closed state is inhibitory to binding. The large population of the closed conformation in T. thermophilus ribonuclease H contributes to the increased Michaelis constant compared with the E. coli enzyme. NMR spin relaxation and fluorescence spectroscopy have characterized a

  8. New magnetic material spectroscopy (abstract)

    SciTech Connect

    Hogenboom, D.; Widom, A.; Vittoria, C.

    1997-04-01

    Sensitive commercial electron paramagnetic resonance (EPR) spectrometers are able to measure 10{sup AND}13 spins. Using a high T{sub c} weak link, we were able to measure FMR on yttrium ion garnet (YIG) films which were exposed to an effective area of 3 nm by 15 micrometers. Given that this is the area of excitation and the thickness of the YIG was 0.5 micrometers, we could measure less than 10{sup AND}9 spins in a YIG film. Our weak link was fabricated by patterning a 0.5 micrometer thick film of YBCO down to a 15 micrometer wide bridge across an artificial grain boundary in an MgO substrate. Our technique uses the ac Josephson effect to generate a microwave field which couples into a YIG film which is placed in intimate contact atop the link. The frequency of this microwave field is proportional to the voltage across the weak link. The absorption of the microwaves by the YIG will affect the voltage versus current behavior across the weak link. For a YIG film of 0.5 micrometers thickness, we measured an in-plane linewidth of 125 Gauss using the weak link technique. The FMR linewidth measured by a conventional EPR technique was 40 Gauss. This implies that the excitation by the weak link may be nonuniform. We present data which illustrate this effect and numerical results for the corresponding circuit model. Our conclusions are that we have developed a viable spectroscopy to characterize extremely local magnetic interactions. {copyright} {ital 1997 American Institute of Physics.}

  9. Neural networks for nuclear spectroscopy

    SciTech Connect

    Keller, P.E.; Kangas, L.J.; Hashem, S.; Kouzes, R.T.

    1995-12-31

    In this paper two applications of artificial neural networks (ANNs) in nuclear spectroscopy analysis are discussed. In the first application, an ANN assigns quality coefficients to alpha particle energy spectra. These spectra are used to detect plutonium contamination in the work environment. The quality coefficients represent the levels of spectral degradation caused by miscalibration and foreign matter affecting the instruments. A set of spectra was labeled with quality coefficients by an expert and used to train the ANN expert system. Our investigation shows that the expert knowledge of spectral quality can be transferred to an ANN system. The second application combines a portable gamma-ray spectrometer with an ANN. In this system the ANN is used to automatically identify, radioactive isotopes in real-time from their gamma-ray spectra. Two neural network paradigms are examined: the linear perception and the optimal linear associative memory (OLAM). A comparison of the two paradigms shows that OLAM is superior to linear perception for this application. Both networks have a linear response and are useful in determining the composition of an unknown sample when the spectrum of the unknown is a linear superposition of known spectra. One feature of this technique is that it uses the whole spectrum in the identification process instead of only the individual photo-peaks. For this reason, it is potentially more useful for processing data from lower resolution gamma-ray spectrometers. This approach has been tested with data generated by Monte Carlo simulations and with field data from sodium iodide and Germanium detectors. With the ANN approach, the intense computation takes place during the training process. Once the network is trained, normal operation consists of propagating the data through the network, which results in rapid identification of samples. This approach is useful in situations that require fast response where precise quantification is less important.

  10. Spectroscopy of high redshift sightlines

    NASA Astrophysics Data System (ADS)

    Zafar, Tayyaba

    2011-04-01

    This thesis deals with the absorption studies of two cosmological objects: Gamma-ray bursts (GRBs) and quasars (QSO), using spectroscopy and spectral energy distribution (SED) analysis. GRBs are the most powerful explosions in the Universe. After the discovery of these cosmological events in 1967, a lot of progress has been made in investigating their properties which divided them into two subcategories of long and short bursts. Both GRB classes have different origins and properties. Long duration GRBs are signposts of star formation due to their association with the deaths of short-lived massive stars. The launch of the Swift satellite in 2004, mainly devoted to GRB observations, has marked a dramatic improvement in our understanding of GRB physics. The initial burst of gamma-rays should be followed by slowly fading emission at low frequencies, which is termed the "afterglow". GRB afterglows are excellent and sensitive probes of gas and dust in star-forming galaxies at all epochs. The X-ray to optical/near-infrared SED analysis of GRB afterglows can reveal intrinsic host galaxy properties. The brightness of these transient sources and their occurrence in young, blue galaxies make them excellent tools to study star forming regions in the distant Universe. The first chapter presents an introduction to the history of GRB research, different progenitor models and afterglow phases. It also summarizes the different dust models used for afterglow SED modeling. The chapter also provides an introduction to the Damped Ly-alpha absorbers (DLAs) usually seen in the spectra of background QSOs.

  11. News from Online: More Spectroscopy

    NASA Astrophysics Data System (ADS)

    Sweeney Judd, Carolyn

    1999-09-01

    on to Evaporative Cooling at http://www.colorado.edu/physics/2000/bec/evap_cool.html. The cartoon professors begin the explanation with a picture of steam rising from a cup of hot coffee. Next is an applet with atoms in a parabolic magnetic trap at http://www.colorado.edu/physics/2000/applets/bec.html. The height of the magnetic trap can be changed in order to allow for escape of the most energetic atoms, resulting in cooling so that the Bose-Einstein Condensate is formed. Physics 2000 demands robust computing power. Check the system requirements on the introductory screen before venturing too far into this site. Martin V. Goldman, from the University of Colorado at Boulder, is the Director of Physics 2000, which received support from the Colorado Commission on Higher Education and the National Science Foundation. David Rea is the Technical Director, and many others help make this excellent site possible. Mark your calendars: October 31 through December 3, 1999! Bookmark this site-- http://www.ched-ccce.org/confchem/1999/d/index.html --and sign up. The Winter 1999 CONFCHEM Online Conference will focus on Developments in Spectroscopy and Innovative Strategies for Teaching Spectroscopy in the Undergraduate Curriculum. Scott Van Bramer of Widener University is the conference chair. Experts will present six papers, each to be followed by online discussions. CONFCHEM Online Conferences are sponsored by the American Chemical Society Division of Chemical Education's Committee on Computers in Chemical Education (CCCE). Several Online Conferences are held each year--all are well worth your time. World Wide Web Addresses EMSpectrum Explorer http://mc2.cchem.berkeley.edu/chemcnx/light_energy/EMSpectrum/emspectrum.html Light and Energy http://mc2.cchem.berkeley.edu/chemcnx/light_energy/index.html Emission Spectrum Java Applet http://mc2.cchem.berkeley.edu/chemcnx/light_energy/applets/emission/index.html Absorption Java Applet http://mc2.cchem

  12. Active beam spectroscopy for ITER

    NASA Astrophysics Data System (ADS)

    von Hellermann, M. G.; Barnsley, R.; Biel, W.; Delabie, E.; Hawkes, N.; Jaspers, R.; Johnson, D.; Klinkhamer, F.; Lischtschenko, O.; Marchuk, O.; Schunke, B.; Singh, M. J.; Snijders, B.; Summers, H. P.; Thomas, D.; Tugarinov, S.; Vasu, P.

    2010-11-01

    Since the first feasibility studies of active beam spectroscopy on ITER in 1995 the proposed diagnostic has developed into a well advanced and mature system. Substantial progress has been achieved on the physics side including comprehensive performance studies based on an advanced predictive code, which simulates active and passive features of the expected spectral ranges. The simulation has enabled detailed specifications for an optimized instrumentation and has helped to specify suitable diagnostic neutral beam parameters. Four ITER partners share presently the task of developing a suite of ITER active beam diagnostics, which make use of the two 0.5 MeV/amu 18 MW heating neutral beams and a dedicated 0.1 MeV/amu, 3.6 MW diagnostic neutral beam. The IN ITER team is responsible for the DNB development and also for beam physics related aspects of the diagnostic. The RF will be responsible for edge CXRS system covering the outer region of the plasma (1> r/ a>0.4) using an equatorial observation port, and the EU will develop the core CXRS system for the very core (0< r/ a<0.7) using a top observation port. Thus optimum radial resolution is ensured for each system with better than a/30 resolution. Finally, the US will develop a dedicated MSE system making use of the HNBs and two equatorial ports. With appropriate modification, these systems could also potentially provide information on alpha particle slowing-down features. . On the engineering side, comprehensive preparations were made involving the development of an observation periscope, a neutron labyrinth optical system and design studies for remote maintenance including the exchange of the first mirror assembly, a critical issue for the operation of the CXRS diagnostic in the harsh ITER environment. Additionally, an essential change of the orientation of the DNB injection angle and specification of suitable blanket aperture has been made to avoid trapped particle damage to the first wall.

  13. Vibrational spectroscopy of water interfaces

    SciTech Connect

    Du, Q.

    1994-12-01

    The second order nonlinear optical processes of second harmonic generation and sum frequency generation are powerful and versatile tools for studying all kinds of surfaces. They possess unusual surface sensitivity due to the symmetry properties of the second order nonlinear susceptibility. The technique of infrared-visible sum frequency generation (SFG) is particularly attractive because it offers a viable way to do vibrational spectroscopy on any surfaces accessible to light with submonolayer sensitivity. In this thesis, the author applies SFG to study a number of important water interfaces. At the air/water interface, hydrophobic solid/water and liquid/water interfaces, it was found that approximately 25% of surface water molecules have one of their hydrogen pointing away from the liquid water. The large number of unsatisfied hydrogen bonds contributes significantly to the large interfacial energy of the hydrophobic surfaces. At the hydrophilic fused quartz/water interface and a fatty acid monolayer covered water surface, the structure and orientation of surface water molecules are controlled by the hydrogen bonding of water molecules with the surface OH groups and the electrostatic interaction with the surface field from the ionization of surface groups. A change of pH value in the bulk water can significantly change the relative importance of the two interactions and cause a drastic change in orientation of the surface water molecules. SFG has also been applied to study the tribological response of some model lubricant films. Monolayers of Langmuir-Blodgett films were found to disorder orientationaly under mildly high pressure and recover promptly upon removal of the applied pressure.

  14. Tip-Enhanced Raman Spectroscopy (TERS)

    NASA Astrophysics Data System (ADS)

    Pettinger, Bruno

    Tip-enhanced Raman spectroscopy is a vibrational spectroscopy with hitherto unprecedented sensitivity and spatial resolution. Since the enhancement is mainly provided by the near-field excited at the apex of a suitable tip, TERS appears to be a widely applicable spectroscopy and microscopy tool, in contrast to its parents, surface-enhanced Raman spectroscopy (SERS) and scanning near-field optical microscopy (SNOM). TER scattering has been observed for a number of molecules adsorbed at various substrates, including single-crystalline metal surfaces, showing thereby a more than million-fold enhancement of the Raman scattering. It is important to note that the field-enhancement provides, beyond TERS, promising avenues for applications to other optical techniques, such as tip-enhanced CARS, two-photon fluorescence and infrared scattering-type near-field microscopy.

  15. Terahertz imaging and spectroscopy for landmine detection

    NASA Astrophysics Data System (ADS)

    Fitch, Michael J.; Schauki, Dunja; Kelly, Craig A.; Osiander, Robert

    2004-04-01

    Pulsed THz (100 GHz - 30 THz) Imaging Spectroscopy combines three ways of mine detection in one system, high resolution radar, depth ranging, and infrared spectroscopy. It allows minefield detection, single mine imaging, and near-zero false alarm due to the capabilities of explosives / plastic identification using spectroscopy with working distances to 1000 feet. We have previously demonstrated imaging capabilities with 1 mm spatial resolution on a rubber O-ring embedded in sand. The estimated transmission depth in moist sand is 1 to 3 cm, which should be sufficient for imaging anti-personnel mines. In this work, we present initial results investigating the feasibility of THz spectroscopy in the frequency range from 1 to 10 THz to detect and identify explosives and related compounds (ERCs). A major component of this effort is chemical modeling to obtain spectroscopic information on ERCs and environmental background. A time-domain THz system using femtosecond laser pulses is also being developed.

  16. How Much Inorganic Spectroscopy and Photochemistry?

    ERIC Educational Resources Information Center

    Gray, Harry B.

    1980-01-01

    Describes three levels of courses to treat adequately the ground state electronic structures, the spectroscopy, and the photochemistry of inorganic molecules. Suggests sequences for the courses without repeating material taught in previous courses. (Author/JN)

  17. Photoassociative Spectroscopy of Ultracold Argon and Krypton

    NASA Astrophysics Data System (ADS)

    Omar, M. K.; Williams, W. D.; Sukenik, C. I.

    2016-05-01

    We report on photoassociative spectroscopy experiments performed separately on ultracold 40 Ar and ultracold 84 Kr with the spectroscopy laser tuned around the trapping transition for each species (ns[ 3 / 2 ] 2 --> np[ 5 / 2 ] 3 where n = 4 for argon and n = 5 for krypton). Previous studies in argon observed several discrete features in the spectrum that have now been positively identified as arising from otherwise undetectable frequency sidebands on the spectroscopy laser and not from molecular structure. Spectra have been taken over a range of laser intensities and show a broad (several GHz) signature of single photon photo-association, but with no individual vibrational levels resolved. We will discuss our results and compare our spectra to those obtained in ultracold, noble gas photoassociative spectroscopy experiments conducted by other groups in recent years. Supported in part by the National Science Foundation, Award, No. PHY-0855290.

  18. Raman and Photoluminescence Spectroscopy in Mineral Identification

    NASA Astrophysics Data System (ADS)

    Kuehn, J. W.

    2014-06-01

    Raman spectroscopy is particularly useful for rapid identification of minerals and gemstones. Raman spectrometers also allow PL studies for authentication of samples and geological provenance, diamond type screening and detection of HPHT treatments.

  19. Diffraction-limited ultrabroadband terahertz spectroscopy

    NASA Astrophysics Data System (ADS)

    Baillergeau, M.; Maussang, K.; Nirrengarten, T.; Palomo, J.; Li, L. H.; Linfield, E. H.; Davies, A. G.; Dhillon, S.; Tignon, J.; Mangeney, J.

    2016-05-01

    Diffraction is the ultimate limit at which details of objects can be resolved in conventional optical spectroscopy and imaging systems. In the THz spectral range, spectroscopy systems increasingly rely on ultra-broadband radiation (extending over more 5 octaves) making a great challenge to reach resolution limited by diffraction. Here, we propose an original easy-to-implement wavefront manipulation concept to achieve ultrabroadband THz spectroscopy system with diffraction-limited resolution. Applying this concept to a large-area photoconductive emitter, we demonstrate diffraction-limited ultra-broadband spectroscopy system up to 14.5 THz with a dynamic range of 103. The strong focusing of ultrabroadband THz radiation provided by our approach is essential for investigating single micrometer-scale objects such as graphene flakes or living cells, and besides for achieving intense ultra-broadband THz electric fields.

  20. Teaching the Rovibronic Spectroscopy of Molecular Iodine

    ERIC Educational Resources Information Center

    Williamson, J. Charles

    2007-01-01

    The rovibronic spectroscopy of molecular iodine provides a clearer understanding of the electronic potential parameters of various systems to the undergraduate students. The technique also helps them to test the various other quantum mechanical concepts.

  1. Soil chemical insights provided through vibrational spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Vibrational spectroscopy techniques provide a powerful approach to study environmental materials and processes. These multifunctional analysis tools can be used to probe molecular vibrations of solid, liquid, and gaseous samples for characterizing materials, elucidating reaction mechanisms, and exam...

  2. Diffraction-limited ultrabroadband terahertz spectroscopy

    PubMed Central

    Baillergeau, M.; Maussang, K.; Nirrengarten, T.; Palomo, J.; Li, L. H.; Linfield, E. H.; Davies, A. G.; Dhillon, S.; Tignon, J.; Mangeney, J.

    2016-01-01

    Diffraction is the ultimate limit at which details of objects can be resolved in conventional optical spectroscopy and imaging systems. In the THz spectral range, spectroscopy systems increasingly rely on ultra-broadband radiation (extending over more 5 octaves) making a great challenge to reach resolution limited by diffraction. Here, we propose an original easy-to-implement wavefront manipulation concept to achieve ultrabroadband THz spectroscopy system with diffraction-limited resolution. Applying this concept to a large-area photoconductive emitter, we demonstrate diffraction-limited ultra-broadband spectroscopy system up to 14.5 THz with a dynamic range of 103. The strong focusing of ultrabroadband THz radiation provided by our approach is essential for investigating single micrometer-scale objects such as graphene flakes or living cells, and besides for achieving intense ultra-broadband THz electric fields. PMID:27142959

  3. Sensors Based on Spectroscopy of Guided Waves

    NASA Astrophysics Data System (ADS)

    Homola, Jiří

    The last two decades have witnessed remarkable progress in the develpment of affinity biosensors and their applications in areas such as environmental protection, biotechnology, medical diagnostics, drug screening, food safety, and security. An affinity biosensor consists of a transducer and a biological recognition element which is able to interact with a selected analyte. Various optical methods have been exploited in biosensors including fluorescence spectroscopy, interferometry (reflectometric white light interferometry, modal interferometry in optical waveguide structures), and spectroscopy of guided modes of optical waveguides. Optical biosensors based on spectroscopy of guided modes of optical waveguides - grating coupler, resonant mirror, and surface plasmon resonance (SPR) - rely on the measurement of binding-induced refractive index changes and thus are label-free technologies. This paper reviews fundamentals of optical sensors based on spectroscopy of guided modes of optical waveguides and their applications.

  4. Medical diagnostics using terahertz pulsed spectroscopy

    NASA Astrophysics Data System (ADS)

    Zaytsev, Kirill I.; Kudrin, Konstantin G.; Koroleva, Svetlana A.; Fokina, Irina N.; Volodarskaya, Svetlana I.; Novitskaya, Ekaterina V.; Perov, Artem N.; Karasik, Valeriy E.; Yurchenko, Stanislav O.

    2014-03-01

    The paper contains recent results of studying the ability of human body disease diagnosis with terahertz time-domain spectroscopy. In vitro skin cancer samples (squamous cell carcinoma, epithelioid cell melanoma, infiltrating carcinoma) were studied experimentally with terahertz pulsed spectrometer. The parametrical in vitro images of skin cancers are presented. The ability to make early tooth cariosity diagnosis with terahertz time-domain spectroscopy was also shown experimentally. The results of studying the in vitro tooth samples are presented and discussed.

  5. Photoacoustic spectroscopy of Entamoeba histolytica strains

    NASA Astrophysics Data System (ADS)

    Acosta-Avalos, D.; Alvarado-Gil, J. J.; Silva, E. F.; Orozco, E.; de Menezes, L. F.; Vargas, H.

    2005-06-01

    Pathogenic and non-pathogenic strains of E. histolytica are studied using photoacoustic spectroscopy. It is shown that the pathogenic strain presents a spectrum similar to that of iron sulfur proteins. The non-pathogenic strain does not show any relevant absorption at the studied wavelength range. The differences observed between the optical absorption spectra of both strains opens the possibility of using photoacoustic spectroscopy as a reliable and simple technique to identify different types of E. histolytica strains.

  6. Photoacoustic spectroscopy of man infecting protozoans

    NASA Astrophysics Data System (ADS)

    Acosta-Avalos, D.; Alvarado-Gil, J. J.; Vargas, H.

    1998-08-01

    In this paper the fundamentals of photothermal spectroscopy are presented, special emphasis is done in the obtention of the optical absorption spectra. It is shown that this spectroscopy can be used successfully for the monitoring of protozoans that could infect the human. The usefulness of the technique is illustrated in the special case of Leishmania, where it is possible to find that the stage when the protozoan infect vertebrate cells show important differences in relation to the protozoans infecting insects.

  7. Spectroscopy and terahertz imaging for sigillography applications

    NASA Astrophysics Data System (ADS)

    Mounaix, P.; Younus, A.; Delagnes, J. C.; Abraham, E.; Canioni, L.; Fabre, M.

    2011-02-01

    Sigillography is the science that studies the manifold aspects of the seals. A seal can be defined as an imprint obtained on a malleable medium by imprinting an incised matrix, which transfers on it the characteristic signs of a person or an institution. We use THz spectroscopy and imaging for non-destructive evaluation of natural seals. Using a time domain THz spectroscopy and imaging system, THz transmission images are generated in the 0.1-3 THz range.

  8. Meson Spectroscopy at CLAS and CLAS12

    SciTech Connect

    Carlos Salgado

    2011-10-01

    We report on meson spectroscopy using the CLAS at Jefferson Lab. We study photo-production of exotic mesons and strangeonia on the largest data sample ever to be produced at photon energies of about 5 GeV. We also describe an experiment to continue meson spectroscopy at CLAS12 (CLAS energy upgrade) using electroproduction at very low Q2 ('quasireal photons') up to photon energies of 10 GeV.

  9. Cancer diagnosis by infrared spectroscopy: methodological aspects

    NASA Astrophysics Data System (ADS)

    Jackson, Michael; Kim, Keith; Tetteh, John; Mansfield, James R.; Dolenko, Brion; Somorjai, Raymond L.; Orr, F. W.; Watson, Peter H.; Mantsch, Henry H.

    1998-04-01

    IR spectroscopy is proving to be a powerful tool for the study and diagnosis of cancer. The application of IR spectroscopy to the analysis of cultured tumor cells and grading of breast cancer sections is outlined. Potential sources of error in spectral interpretation due to variations in sample histology and artifacts associated with sample storage and preparation are discussed. The application of statistical techniques to assess differences between spectra and to non-subjectively classify spectra is demonstrated.

  10. Photoacoustic spectroscopy of man infecting protozoans

    SciTech Connect

    Acosta-Avalos, D.; Alvarado-Gil, J. J.; Vargas, H.

    1998-08-28

    In this paper the fundamentals of photothermal spectroscopy are presented, special emphasis is done in the obtention of the optical absorption spectra. It is shown that this spectroscopy can be used successfully for the monitoring of protozoans that could infect the human. The usefulness of the technique is illustrated in the special case of Leishmania, where it is possible to find that the stage when the protozoan infect vertebrate cells show important differences in relation to the protozoans infecting insects.

  11. Raman spectroscopy for identification of wood species

    NASA Astrophysics Data System (ADS)

    Gerasimov, V. A.; Gurovich, A. M.; Kostrin, D. K.; Selivanov, L. M.; Simon, V. A.; Stuchenkov, A. B.; Paltcev, A. V.; Uhov, A. A.

    2016-08-01

    This article discusses the application of Raman spectroscopy for identification of wood species. Use of Raman spectroscopy allows increasing the certainty of determining the type of wood compared to the analysis of spectra of diffuse reflectance. Raman spectrums of different wood samples when irradiated by laser radiation are shown. Ways to improve the determination reliability of wood species due to the modernization of the identification technique are discussed. The stages of data processing, allowing carrying out correct further analysis are described.

  12. Applications of Raman spectroscopy in life science

    NASA Astrophysics Data System (ADS)

    Martin, Airton A.; T. Soto, Cláudio A.; Ali, Syed M.; Neto, Lázaro P. M.; Canevari, Renata A.; Pereira, Liliane; Fávero, Priscila P.

    2015-06-01

    Raman spectroscopy has been applied to the analysis of biological samples for the last 12 years providing detection of changes occurring at the molecular level during the pathological transformation of the tissue. The potential use of this technology in cancer diagnosis has shown encouraging results for the in vivo, real-time and minimally invasive diagnosis. Confocal Raman technics has also been successfully applied in the analysis of skin aging process providing new insights in this field. In this paper it is presented the latest biomedical applications of Raman spectroscopy in our laboratory. It is shown that Raman spectroscopy (RS) has been used for biochemical and molecular characterization of thyroid tissue by micro-Raman spectroscopy and gene expression analysis. This study aimed to improve the discrimination between different thyroid pathologies by Raman analysis. A total of 35 thyroid tissues samples including normal tissue (n=10), goiter (n=10), papillary (n=10) and follicular carcinomas (n=5) were analyzed. The confocal Raman spectroscopy allowed a maximum discrimination of 91.1% between normal and tumor tissues, 84.8% between benign and malignant pathologies and 84.6% among carcinomas analyzed. It will be also report the application of in vivo confocal Raman spectroscopy as an important sensor for detecting advanced glycation products (AGEs) on human skin.

  13. Rotational spectroscopy at the Jet Propulsion Laboratory

    NASA Technical Reports Server (NTRS)

    Drouin, Brian J.

    2005-01-01

    Environmental monitoring, atmospheric remote sensing and astrophysical studies promoted by NASA require a strong basis of spectroscopic information. The rotational spectroscopy capabilities at NASAs Jet Propulsion Laboratory (JPL) are currently maintained for the measurement of key mission priorities that enable modeling and retrieval of geophysical data from the atmosphere as well as validation of the space-borne instruments in the Earth Observing System, particularly the Microwave Limb Sounder. Rotational spectra are measured using a variety of spectroscopic techniques including pulsed-beam Fourier transform microwave spectroscopy (at CalTech); millimeter wavelength Stark spectroscopy; millimeter, submillimeter and THz FM spectroscopy; laser sideband spectroscopy and Fourier Transform far-infrared spectroscopy. Remote measurements of atmospheric rotational spectra are made using two limb-sounder instruments in the submillimeter and THz. Recent advances in the direct synthesis of THz radiation that enable more efficient laboratory science will be presented. Software for comprehensive and systematic study of different molecular systems is maintained at JPL, the software is freely available via http://spec.jpl.nasa.gov and is used by our group to create and sustain the JPL spectral line catalog also available online.

  14. Extraterrestrial Mössbauer Spectroscopy

    NASA Astrophysics Data System (ADS)

    Klingelhöfer, Göstar

    To understand the origin of the Solar system and the origin of Life itself is one of the longest standing goals of human thought. Our Sun and its planets have formed out of an interstellar cloud which collapsed due to gravitational forces, forming a disk shaped so-called protosolar nebula, with the young star in the centre. Such disk shaped and dust grain containing protosolar nebulae have been observed. One of them is surrounding the young star Beta pictoris [1, 2]. Silicates, carbon and metal grains, oxides and sulfides should have been present. One of the important elements with relatively high abundance is iron. It is believed that simple molecules, such as water (H2O), carbon monoxide (CO), and hydrocarbons, were formed in this protosolar nebula [3]. As we know very well, at least in one case - our own Solar system - a variety of different objects were formed: planets, asteroids, and comets. At least on one of these planets, the Earth, life has formed. Today comets are believed to be remnants of the protosolar nebula, and the Sun and the planets are processed bodies, whereas asteroids are supposed to be only partially processed. The process of birth and evolution of our Solar system can be investigated indirectly by studying all the different members of the planetary system by means of remote sensing and planetary robotic space missions. One of the key elements in the evolution of the Solar system, and life itself, is iron. The chemistry of iron is strongly coupled to the chemistry of abundant elements as hydrogen, oxygen, and carbon. For instance, the oxidation state of iron in surface rocks of the planets is an important aspect because according to theoretical studies, iron contained in a planetary body should be the more oxidized the farther away from the sun this body has formed. By studying the cosmic history of iron, we have the possibility of understanding the chemical evolution of matter and life itself. Here, Mössbauer spectroscopy is the obvious

  15. Ordering and oxygen content effects in YBa sub 2 (Cu sub 1 minus x Fe sub x ) sub 3 O sub 7 samples observed by high-temperature Moessbauer spectroscopy

    SciTech Connect

    Saitovitch, E.B.; Scorzelli, R.B.; Azevedo, I.S.; dos Santos, C.A. )

    1990-05-01

    We report here {ital in} {ital situ} high-temperature {sup 57}Fe Moessbauer measurements on YBa{sub 2}(Cu{sub 1{minus}{ital x}}Fe{sub {ital x}}){sub 3}O{sub 7} samples in controlled oxygen atmosphere, in air, or in vacuum. In these conditions, fundamental information can be obtained related to the thermal stability of the different Fe species, as well as the mechanism of oxygen loss.

  16. Practical Problems in the Cement Industry Solved by Modern Research Techniques

    ERIC Educational Resources Information Center

    Daugherty, Kenneth E.; Robertson, Les D.

    1972-01-01

    Practical chemical problems in the cement industry are being solved by such techniques as infrared spectroscopy, gas chromatography-mass spectrometry, X-ray diffraction, atomic absorption and arc spectroscopy, thermally evolved gas analysis, Mossbauer spectroscopy, transmission and scanning electron microscopy. (CP)

  17. Soft X-Ray and Vacuum Ultraviolet Based Spectroscopy of the Actinides

    SciTech Connect

    Tobin, J G

    2011-03-17

    The subjects of discussion included: VUV photoelectron spectroscopy, X-ray photoelectron spectroscopy, Synchrotron-radiation-based photoelectron spectroscopy, Soft x-ray absorption spectroscopy, Soft x-ray emission spectroscopy, Inverse photoelectron spectroscopy, Bremstrahlung Isochromat Spectroscopy, Low energy IPES, Resonant inverse photoelectron spectroscopy.

  18. Fast nuclear magnetic resonance correlation spectroscopy without diagonal peaks: the "2-1" correlation spectroscopy.

    PubMed

    Liu, Huili; Jiang, Bin; Liu, Maili; Mao, Xi-an

    2008-02-01

    A fast NMR experiment is proposed for measuring correlation spectroscopy (COSY) spectra with diagonal peaks completely removed or largely suppressed. This new pulse sequence is based on double quantum spectroscopy but with delayed detection, so that the double quantum coherence is effectively transferred to single quantum coherence. Therefore, the pulse sequence can be named "2-1" COSY.

  19. Raman spectroscopy: the gateway into tomorrow's virology.

    PubMed

    Lambert, Phelps J; Whitman, Audy G; Dyson, Ossie F; Akula, Shaw M

    2006-06-28

    In the molecular world, researchers act as detectives working hard to unravel the mysteries surrounding cells. One of the researchers' greatest tools in this endeavor has been Raman spectroscopy. Raman spectroscopy is a spectroscopic technique that measures the unique Raman spectra for every type of biological molecule. As such, Raman spectroscopy has the potential to provide scientists with a library of spectra that can be used to unravel the makeup of an unknown molecule. However, this technique is limited in that it is not able to manipulate particular structures without disturbing their unique environment. Recently, a novel technology that combines Raman spectroscopy with optical tweezers, termed Raman tweezers, evades this problem due to its ability to manipulate a sample without physical contact. As such, Raman tweezers has the potential to become an incredibly effective diagnostic tool for differentially distinguishing tissue, and therefore holds great promise in the field of virology for distinguishing between various virally infected cells. This review provides an introduction for a virologist into the world of spectroscopy and explores many of the potential applications of Raman tweezers in virology.

  20. Raman spectroscopy: the gateway into tomorrow's virology

    PubMed Central

    Lambert, Phelps J; Whitman, Audy G; Dyson, Ossie F; Akula, Shaw M

    2006-01-01

    In the molecular world, researchers act as detectives working hard to unravel the mysteries surrounding cells. One of the researchers' greatest tools in this endeavor has been Raman spectroscopy. Raman spectroscopy is a spectroscopic technique that measures the unique Raman spectra for every type of biological molecule. As such, Raman spectroscopy has the potential to provide scientists with a library of spectra that can be used to unravel the makeup of an unknown molecule. However, this technique is limited in that it is not able to manipulate particular structures without disturbing their unique environment. Recently, a novel technology that combines Raman spectroscopy with optical tweezers, termed Raman tweezers, evades this problem due to its ability to manipulate a sample without physical contact. As such, Raman tweezers has the potential to become an incredibly effective diagnostic tool for differentially distinguishing tissue, and therefore holds great promise in the field of virology for distinguishing between various virally infected cells. This review provides an introduction for a virologist into the world of spectroscopy and explores many of the potential applications of Raman tweezers in virology. PMID:16805914

  1. Raman and photothermal spectroscopies for explosive detection

    NASA Astrophysics Data System (ADS)

    Finot, Eric; Brulé, Thibault; Rai, Padmnabh; Griffart, Aurélien; Bouhélier, Alexandre; Thundat, Thomas

    2013-06-01

    Detection of explosive residues using portable devices for locating landmine and terrorist weapons must sat- isfy the application criteria of high reproducibility, specificity, sensitivity and fast response time. Vibrational spectroscopies such as Raman and infrared spectroscopies have demonstrated their potential to distinguish the members of the chemical family of more than 30 explosive materials. The characteristic chemical fingerprints in the spectra of these explosives stem from the unique bond structure of each compound. However, these spectroscopies, developed in the early sixties, suffer from a poor sensitivity. On the contrary, MEMS-based chemical sensors have shown to have very high sensitivity lowering the detection limit down to less than 1 picogram, (namely 10 part per trillion) using sensor platforms based on microcantilevers, plasmonics, or surface acoustic waves. The minimum amount of molecules that can be detected depends actually on the transducer size. The selectivity in MEMS sensors is usually realized using chemical modification of the active surface. However, the lack of sufficiently selective receptors that can be immobilized on MEMS sensors remains one of the most critical issues. Microcantilever based sensors offer an excellent opportunity to combine both the infrared photothermal spectroscopy in their static mode and the unique mass sensitivity in their dynamic mode. Optical sensors based on localized plasmon resonance can also take up the challenge of addressing the selectivity by monitoring the Surface Enhanced Raman spectrum down to few molecules. The operating conditions of these promising localized spectroscopies will be discussed in terms of reliability, compactness, data analysis and potential for mass deployment.

  2. Review of optical breast imaging and spectroscopy.

    PubMed

    Grosenick, Dirk; Rinneberg, Herbert; Cubeddu, Rinaldo; Taroni, Paola

    2016-09-01

    Diffuse optical imaging and spectroscopy of the female breast is an area of active research. We review the present status of this field and discuss the broad range of methodologies and applications. Starting with a brief overview on breast physiology, the remodeling of vasculature and extracellular matrix caused by solid tumors is highlighted that is relevant for contrast in optical imaging. Then, the various instrumental techniques and the related methods of data analysis and image generation are described and compared including multimodality instrumentation, fluorescence mammography, broadband spectroscopy, and diffuse correlation spectroscopy. We review the clinical results on functional properties of malignant and benign breast lesions compared to host tissue and discuss the various methods to improve contrast between healthy and diseased tissue, such as enhanced spectroscopic information, dynamic variations of functional properties, pharmacokinetics of extrinsic contrast agents, including the enhanced permeability and retention effect. We discuss research on monitoring neoadjuvant chemotherapy and on breast cancer risk assessment as potential clinical applications of optical breast imaging and spectroscopy. Moreover, we consider new experimental approaches, such as photoacoustic imaging and long-wavelength tissue spectroscopy. PMID:27403837

  3. Ultrafast Laser-Based Spectroscopy and Sensing: Applications in LIBS, CARS, and THz Spectroscopy

    PubMed Central

    Leahy-Hoppa, Megan R.; Miragliotta, Joseph; Osiander, Robert; Burnett, Jennifer; Dikmelik, Yamac; McEnnis, Caroline; Spicer, James B.

    2010-01-01

    Ultrafast pulsed lasers find application in a range of spectroscopy and sensing techniques including laser induced breakdown spectroscopy (LIBS), coherent Raman spectroscopy, and terahertz (THz) spectroscopy. Whether based on absorption or emission processes, the characteristics of these techniques are heavily influenced by the use of ultrafast pulses in the signal generation process. Depending on the energy of the pulses used, the essential laser interaction process can primarily involve lattice vibrations, molecular rotations, or a combination of excited states produced by laser heating. While some of these techniques are currently confined to sensing at close ranges, others can be implemented for remote spectroscopic sensing owing principally to the laser pulse duration. We present a review of ultrafast laser-based spectroscopy techniques and discuss the use of these techniques to current and potential chemical and environmental sensing applications. PMID:22399883

  4. Assessment of skin flap viability using visible diffuse reflectance spectroscopy and auto-fluorescence spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhu, Caigang; Chen, Shuo; Chui, Christopher Hoe-Kong; Liu, Quan

    2012-12-01

    The accurate assessment of skin flap viability is vitally important in reconstructive surgery. Early identification of vascular compromise increases the change of successful flap salvage. The ability to determine tissue viability intraoperatively is also extremely useful when the reconstructive surgeon must decide how to inset the flap and whether any tissue must be discarded. Visible diffuse reflectance and auto-fluorescence spectroscopy, which yield different sets of biochemical information, have not been used in the characterization of skin flap viability simultaneously to our best knowledge. We performed both diffuse reflectance and fluorescence measurements on a reverse MacFarlane rat dorsal skin flap model to identify the additional value of auto-fluorescence spectroscopy to the assessment of flap viability. Our result suggests that auto-fluorescence spectroscopy appears to be more sensitive to early biochemical changes in a failed flap than diffuse reflectance spectroscopy, which could be a valuable complement to diffuse reflectance spectroscopy for the assessment of flap viability.

  5. Photoacoustic Spectroscopy Analysis of Traditional Chinese Medicine

    NASA Astrophysics Data System (ADS)

    Chen, Lu; Zhao, Bin-xing; Xiao, Hong-tao; Tong, Rong-sheng; Gao, Chun-ming

    2013-09-01

    Chinese medicine is a historic cultural legacy of China. It has made a significant contribution to medicine and healthcare for generations. The development of Chinese herbal medicine analysis is emphasized by the Chinese pharmaceutical industry. This study has carried out the experimental analysis of ten kinds of Chinese herbal powder including Fritillaria powder, etc., based on the photoacoustic spectroscopy (PAS) method. First, a photoacoustic spectroscopy system was designed and constructed, especially a highly sensitive solid photoacoustic cell was established. Second, the experimental setup was verified through the characteristic emission spectrum of the light source, obtained by using carbon as a sample in the photoacoustic cell. Finally, as the photoacoustic spectroscopy analysis of Fritillaria, etc., was completed, the specificity of the Chinese herb medicine analysis was verified. This study shows that the PAS can provide a valid, highly sensitive analytical method for the specificity of Chinese herb medicine without preparing and damaging samples.

  6. Vibrational Spectroscopy and Dynamics of Water.

    PubMed

    Perakis, Fivos; Marco, Luigi De; Shalit, Andrey; Tang, Fujie; Kann, Zachary R; Kühne, Thomas D; Torre, Renato; Bonn, Mischa; Nagata, Yuki

    2016-07-13

    We present an overview of recent static and time-resolved vibrational spectroscopic studies of liquid water from ambient conditions to the supercooled state, as well as of crystalline and amorphous ice forms. The structure and dynamics of the complex hydrogen-bond network formed by water molecules in the bulk and interphases are discussed, as well as the dissipation mechanism of vibrational energy throughout this network. A broad range of water investigations are addressed, from conventional infrared and Raman spectroscopy to femtosecond pump-probe, photon-echo, optical Kerr effect, sum-frequency generation, and two-dimensional infrared spectroscopic studies. Additionally, we discuss novel approaches, such as two-dimensional sum-frequency generation, three-dimensional infrared, and two-dimensional Raman terahertz spectroscopy. By comparison of the complementary aspects probed by various linear and nonlinear spectroscopic techniques, a coherent picture of water dynamics and energetics emerges. Furthermore, we outline future perspectives of vibrational spectroscopy for water researches.

  7. Circular dichroism spectroscopy of membrane proteins.

    PubMed

    Miles, A J; Wallace, B A

    2016-09-21

    Circular dichroism (CD) spectroscopy is a well-established technique for studying the secondary structures, dynamics, folding pathways, and interactions of soluble proteins, and is complementary to the high resolution but generally static structures produced by X-ray crystallography, NMR spectroscopy, and cryo electron microscopy. CD spectroscopy has special relevance for the study of membrane proteins, which are difficult to crystallise and largely ignored in structural genomics projects. However, the requirement for membrane proteins to be embedded in amphipathic environments such as membranes, lipid vesicles, detergent micelles, bicelles, oriented bilayers, or nanodiscs, in order for them to be soluble or dispersed in solution whilst maintaining their structure and function, necessitates the use of different experimental and analytical approaches than those employed for soluble proteins. This review discusses specialised methods for collecting and analysing membrane protein CD data, highlighting where protocols for soluble and membrane proteins diverge.

  8. Broadband single-molecule excitation spectroscopy

    PubMed Central

    Piatkowski, Lukasz; Gellings, Esther; van Hulst, Niek F.

    2016-01-01

    Over the past 25 years, single-molecule spectroscopy has developed into a widely used tool in multiple disciplines of science. The diversity of routinely recorded emission spectra does underpin the strength of the single-molecule approach in resolving the heterogeneity and dynamics, otherwise hidden in the ensemble. In early cryogenic studies single molecules were identified by their distinct excitation spectra, yet measuring excitation spectra at room temperature remains challenging. Here we present a broadband Fourier approach that allows rapid recording of excitation spectra of individual molecules under ambient conditions and that is robust against blinking and bleaching. Applying the method we show that the excitation spectra of individual molecules exhibit an extreme distribution of solvatochromic shifts and distinct spectral shapes. Importantly, we demonstrate that the sensitivity and speed of the broadband technique is comparable to that of emission spectroscopy putting both techniques side-by-side in single-molecule spectroscopy. PMID:26794035

  9. Mobile Raman spectroscopy in astrobiology research.

    PubMed

    Vandenabeele, Peter; Jehlička, Jan

    2014-12-13

    Raman spectroscopy has proved to be a very useful technique in astrobiology research. Especially, working with mobile instrumentation during fieldwork can provide useful experiences in this field. In this work, we provide an overview of some important aspects of this research and, apart from defining different types of mobile Raman spectrometers, we highlight different reasons for this research. These include gathering experience and testing of mobile instruments, the selection of target molecules and to develop optimal data processing techniques for the identification of the spectra. We also identify the analytical techniques that it would be most appropriate to combine with Raman spectroscopy to maximize the obtained information and the synergy that exists with Raman spectroscopy research in other research areas, such as archaeometry and forensics.

  10. Nuclear-spectroscopy problems studied with neutrons

    SciTech Connect

    Raman, S.

    1982-01-01

    Nuclear spectroscopy with neutrons continues to have a major impact on the progress of nuclear science. Neutrons, being uncharged, are particularly useful for the study of low energy reactions. Recent advances in time-of-flight spectroscopy, as well as in the gamma ray spectroscopy following neutron capture, have permitted precision studies of unbound and bound nuclear levels and related phenomena. By going to new energy domains, by using polarized beams and targets, through the invention of new kinds of detectors, and through the general improvement in beam quantity and quality, new features of nuclear structure and reactions have been obtained that are not ony interesting per se but are also grist for old and new theory mills. The above technical advances have opened up new opportunities for further discoveries.

  11. Alpha Coincidence Spectroscopy studied with GEANT4

    SciTech Connect

    Dion, Michael P.; Miller, Brian W.; Tatishvili, Gocha; Warren, Glen A.

    2013-11-02

    Abstract The high-energy side of peaks in alpha spectra, e.g. 241Am, as measured with a silicon detector has structure caused mainly by alpha-conversion electron and to some extent alphagamma coincidences. We compare GEANT4 simulation results to 241Am alpha spectroscopy measurements with a passivated implanted planar silicon detector. A large discrepancy between the measurements and simulations suggest that the GEANT4 photon evaporation database for 237Np (daughter of 241Am decay) does not accurately describe the conversion electron spectrum and therefore was found to have large discrepancies with experimental measurements. We describe how to improve the agreement between GEANT4 and alpha spectroscopy for actinides of interest by including experimental measurements of conversion electron spectroscopy into the photon evaporation database.

  12. RF Spectroscopy on a Homogeneous Fermi Gas

    NASA Astrophysics Data System (ADS)

    Yan, Zhenjie; Mukherjee, Biswaroop; Patel, Parth; Struck, Julian; Zwierlein, Martin

    2016-05-01

    Over the last two decades RF spectroscopy has been established as an indispensable tool to probe a large variety of fundamental properties of strongly interacting Fermi gases. This ranges from measurement of the pairing gap over tan's contact to the quasi-particle weight of Fermi polarons. So far, most RF spectroscopy experiments have been performed in harmonic traps, resulting in an averaged response over different densities. We have realized an optical uniform potential for ultracold Fermi gases of 6 Li atoms, which allows us to avoid the usual problems connected to inhomogeneous systems. Here we present recent results on RF spectroscopy of these homogeneous samples with a high signal to noise ratio. In addition, we report progress on measuring the contact of a unitary Fermi gas across the normal to superfluid transition.

  13. Broadband single-molecule excitation spectroscopy

    NASA Astrophysics Data System (ADS)

    Piatkowski, Lukasz; Gellings, Esther; van Hulst, Niek F.

    2016-01-01

    Over the past 25 years, single-molecule spectroscopy has developed into a widely used tool in multiple disciplines of science. The diversity of routinely recorded emission spectra does underpin the strength of the single-molecule approach in resolving the heterogeneity and dynamics, otherwise hidden in the ensemble. In early cryogenic studies single molecules were identified by their distinct excitation spectra, yet measuring excitation spectra at room temperature remains challenging. Here we present a broadband Fourier approach that allows rapid recording of excitation spectra of individual molecules under ambient conditions and that is robust against blinking and bleaching. Applying the method we show that the excitation spectra of individual molecules exhibit an extreme distribution of solvatochromic shifts and distinct spectral shapes. Importantly, we demonstrate that the sensitivity and speed of the broadband technique is comparable to that of emission spectroscopy putting both techniques side-by-side in single-molecule spectroscopy.

  14. Circular dichroism spectroscopy of membrane proteins.

    PubMed

    Miles, A J; Wallace, B A

    2016-09-21

    Circular dichroism (CD) spectroscopy is a well-established technique for studying the secondary structures, dynamics, folding pathways, and interactions of soluble proteins, and is complementary to the high resolution but generally static structures produced by X-ray crystallography, NMR spectroscopy, and cryo electron microscopy. CD spectroscopy has special relevance for the study of membrane proteins, which are difficult to crystallise and largely ignored in structural genomics projects. However, the requirement for membrane proteins to be embedded in amphipathic environments such as membranes, lipid vesicles, detergent micelles, bicelles, oriented bilayers, or nanodiscs, in order for them to be soluble or dispersed in solution whilst maintaining their structure and function, necessitates the use of different experimental and analytical approaches than those employed for soluble proteins. This review discusses specialised methods for collecting and analysing membrane protein CD data, highlighting where protocols for soluble and membrane proteins diverge. PMID:27347568

  15. Raman spectroscopy at the tritium laboratory Karlsruhe

    SciTech Connect

    Schloesser, M.; Bornschein, B.; Fischer, S.; Kassel, F.; Rupp, S.; Sturm, M.; James, T.M.; Telle, H.H.

    2015-03-15

    Raman spectroscopy is employed successfully for analysis of hydrogen isotopologues at the Tritium Laboratory Karlsruhe (TLK). Raman spectroscopy is based on the inelastic scattering of photons off molecules. Energy is transferred to the molecules as rotational/vibrational excitation being characteristic for each type of molecule. Thus, qualitative analysis is possible from the Raman shifted light, while quantitative information can be obtained from the signal intensities. After years of research and development, the technique is now well-advanced providing fast (< 10 s), precise (< 0.1%) and true (< 3%) compositional analysis of gas mixtures of hydrogen isotopologues. In this paper, we summarize the recent achievements in the further development on this technique, and the various applications for which it is used at TLK. Raman spectroscopy has evolved as a versatile, highly accurate key method for quantitative analysis complementing the port-folio of analytic techniques at the TLK.

  16. Evaluating minerals of environmental concern using spectroscopy

    USGS Publications Warehouse

    Swayze, G.A.; Clark, R.N.; Higgins, C.T.; Kokaly, R.F.; Eric, Livo K.; Hoefen, T.M.; Ong, C.; Kruse, F.A.

    2006-01-01

    Imaging spectroscopy has been successfully used to aid researchers in characterizing potential environmental impacts posed by acid-rock drainage, ore-processing dust on mangroves, and asbestos in serpentine mineral deposits and urban dust. Many of these applications synergistically combine field spectroscopy with remote sensing data, thus allowing more-precise data calibration, spectral analysis of the data, and verification of mapping. The increased accuracy makes these environmental evaluation tools efficient because they can be used to focus field work on those areas most critical to the research effort. The use of spectroscopy to evaluate minerals of environmental concern pushes current imaging spectrometer technology to its limits; we present laboratory results that indicate the direction for future designs of imaging spectrometers.

  17. Study of virus by Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Moor, K.; Kitamura, H.; Hashimoto, K.; Sawa, M.; Andriana, B. B.; Ohtani, K.; Yagura, T.; Sato, H.

    2013-02-01

    Problem of viruses is very actual for nowadays. Some viruses, which are responsible for human of all tumors, are about 15 %. Main purposes this study, early detection virus in live cell without labeling and in the real time by Raman spectroscopy. Micro Raman spectroscopy (mRs) is a technique that uses a Raman spectrometer to measure the spectra of microscopic samples. According to the Raman spectroscopy, it becomes possible to study the metabolites of a live cultured cell without labeling. We used mRs to detect the virus via HEK 293 cell line-infected adenovirus. We obtained raman specters of lives cells with viruses in 24 hours and 7 days after the infection. As the result, there is some biochemical changing after the treatment of cell with virus. One of biochemical alteration is at 1081 cm-1. For the clarification result, we use confocal fluorescent microscopy and transmission electron microscopy (TEM).

  18. Estimating atomic sizes with Raman spectroscopy.

    PubMed

    Wang, Dingdi; Guo, Wenhao; Hu, Juanmei; Liu, Fang; Chen, Lisheng; Du, Shengwang; Tang, Zikang

    2013-01-01

    We demonstrate a technique to determine the Van der Waals radius of iodine atoms using Raman spectroscopy. The iodine diatomic molecules are diffused into the nano-scale channels of a zeolite single crystal. We found their polarized Raman spectroscopy, which corresponds to iodine molecule's vibrational motion along the direction of molecular axis, is significantly modified by the interaction between the iodine molecules and the rigid frame of the crystal's nano-channels. From the number of excitable vibration quantum states of the confined iodine molecules determined from Raman spectra and the size of the nano-channels, we estimate the iodine atomic radius to be 2.10±0.05 Å. It is the first time that atomic sizes, which are far beyond the optical diffraction limit, have be resolved optically using Raman spectroscopy with the help of nano-scale structures.

  19. Crystal chemistry of natural and synthetic trioctahedral micas: Exploring the limits of geometric crystal chemical models

    NASA Astrophysics Data System (ADS)

    Mercier, Patrick H. J.

    Seventy-five synthetic powder trioctahedral mica samples (between Mg, Co, Ni, and Fe end members, with different degrees of oxidation, vacancy and Al/Si contents, and including an OH/F substitution series) were studied by room-temperature powder X-ray diffraction. The iron-bearing samples were studied by 57Fe Mossbauer spectroscopy. Subsets of the samples were also characterized by scanning electron microscopy combined with energy dispersive spectroscopy, optical microscopy, X-ray fluorescence spectroscopy, and gas chromatography. Lattice parameters (refined under the 1M stacking polytype, space group C2/m) were determined for all powder samples and iron site populations ([4]Fe 3+, [6]Fe2+, and [6]Fe 2+) were obtained from Mossbauer spectroscopy. The relation (c/a)cosbeta* = 113 was found to hold exactly (within experimental error) for all synthetic powders whereas it does not hold in general for synthetic and natural 1M single-crystals. The above relation is predicted to hold for geometric home-octahedral sheets (having equal M1 and M2 site bond lengths) and not to hold for geometric meso-octahedral sheets (having unequal M1 and M2 site bond lengths). The counter-rotation of the M2 site of 1M single-crystals exactly (within experimental error) follows the geometric meso-octahedral sheet model, which, assuming a uniform octahedral sheet height and site-specific M1 and M2 bond lengths, predicts site-specific flattening angles and a counter-rotation angle for the M2 site which is uniquely determined by the bond length difference between the M1 and M2 sites. A geometric meso-octahedral 2:1 layer silicate was shown to require corrugated tetrahedral sheets composed of bond-distorted tetrahedra. Key geometric meso-octahedral distortions in 1M single-crystals were identified and elucidated: (i) intra-layer top-bottom displacements within a TOT layer; and (ii) a tetrahedral bending angle between the apical bond and the pyramidal base formed by the three basal bonds. Plots

  20. A Brief History of Spectroscopy on EBIT

    SciTech Connect

    Beiersdorfer, P

    2007-02-28

    In the autumn of 1986, the first electron beam ion trap, EBIT, was put into service as a light source for the spectroscopy of highly charged ions. On the occasion of the twentieth anniversary of EBIT, we review its early uses for spectroscopy, from the first measurements of x rays from L-shell xenon ions in 1986 to its conversion to SuperEBIT in 1992 and rebirth as EBIT-I in 2001. Together with their sibling, EBIT-II, these machines have been used at Livermore to perform a multitude of seminal studies of the physics of highly charged ions.

  1. Applications of Raman spectroscopy to library heritage.

    PubMed

    Bicchieri, M; Nardone, M; Sodo, A

    2001-01-01

    This work reports some different applications of Raman spectroscopy, a high sensitive non-destructive technique, to the conservation of Library Heritage. By Raman spectroscopy we were able to detect the chemical mechanisms leading to cellulose degradation, identifying the different functional groups formed during the paper ageing. This kind of information is fundamental to choose a suited restoration treatment. A second reported application is the identification of pigments used to decorate paper and parchments. We report some results obtained from analysis of a XV and a XIII century illuminations.

  2. Coherent Raman spectroscopy for supersonic flow measurments

    NASA Technical Reports Server (NTRS)

    She, C. Y.

    1986-01-01

    In collaboration with NASA/Langley Research Center, a truly nonintrusive and nonseeding method for measuring supersonic molecular flow parameters was proposed and developed at Colorado State University. The feasibility of this Raman Doppler Velocimetry (RDV), currently operated in a scanning mode, was demonstrated not only in a laboratory environment at Colorado State University, but also in a major wind tunnel at NASA/Langley Research Center. The research progress of the RDV development is summarized. In addition, methods of coherent Rayleigh-Brillouin spectroscopy and single-pulse coherent Raman spectroscopy are investigated, respectively, for measurements of high-pressure and turbulent flows.

  3. Spectroscopy of element 115 decay chains

    SciTech Connect

    Rudolph, Dirk; Forsberg, U.; Golubev, P.; Sarmiento, L. G.; Yakushev, A.; Andersson, L.-L.; Di Nitto, A.; Duehllmann, Ch. E.; Gates, J. M.; Gregorich, K. E.; Gross, Carl J; Hessberger, F. P.; Herzberg, R.-D; Khuyagbaatar, J.; Kratz, J. V.; Rykaczewski, Krzysztof Piotr; Schaedel, M.; Aberg, S.; Ackermann, D.; Block, M.; Brand, H.; Carlsson, B. G.; Cox, D.; Derkx, X.; Eberhardt, K.; Even, J.; Fahlander, C.; Gerl, J.; Jaeger, E.; Kindler, B.; Krier, J.; Kojouharov, I.; Kurz, N.; Lommel, B.; Mistry, A.; Mokry, C.; Nitsche, H.; Omtvedt, J. P.; Papadakis, P.; Ragnarsson, I.; Runke, J.; Schaffner, H.; Schausten, B.; Thoerle-Pospiech, P.; Torres, T.; Traut, T.; Trautmann, N.; Tuerler, A.; Ward, A.; Ward, D. E.; Wiehl, N.

    2013-01-01

    A high-resolution a, X-ray and -ray coincidence spectroscopy experiment was conducted at the GSI Helmholtzzentrum fu r Schwerionenforschung. Thirty correlated a-decay chains were detected following the fusion-evaporation reaction 48Ca + 243Am. The observations are consistent with previous assignments of similar decay chains to originate from element Z = 115. The data includes first candidates of fingerprinting the decay step Mt --> Bh with characteristic X rays. For the first time, precise spectroscopy allows the derivation of excitation schemes of isotopes along the decay chains starting with elements Z > 112. Comprehensive Monte-Carlo simulations accompany the data analysis. Nuclear structure models provide a first level interpretation.

  4. Absorption spectroscopy: technique provides extremely high sensitivity.

    PubMed

    Provencal, R A; Paul, J B; Michael, E; Saykally, R J

    1998-06-01

    Technology associated with cavity ringdown laser absorption spectroscopy is reviewed. The technique is used to study general trace analysis, free radicals in flames and chemical reactors, molecular ions in electrical discharges, biological molecules and water clusters in supersonic jets, and vibrational overtones of stable molecules. Its specific enough to detect about 1-ppm fractional absorption by a gaseous sample in about 10 microseconds. The use of mirrors in ringdown sepctroscopy is explained. Other topics include the generation of pulsed infrared rays and the adaptation of ringdown spectroscopy for use with narrow-bandwidth continuous-wave lasers. PMID:11541906

  5. Raman spectroscopies in shock-compressed materials

    SciTech Connect

    Schmidt, S.C.; Moore, D.S.; Shaner, J.W.

    1983-01-01

    Spontaneous Raman spectroscopy, stimulated Raman scattering and coherent anti-Stokes Raman scattering have been used to measure temperatures and changes in molecular vibrational frequencies for detonating and shocked materials. Inverse Raman and Raman induced Kerr effect spectroscopies have been suggested as diagnostic probes for determining and phenomenology of shock-induced chemical reactions. The practicality, advantages, and disadvantages of using Raman scattering techniques as diagnostic probes of microscopic phenomenology through and immediately behind the shock front of shock-compressed molecular systems are discussed.

  6. Trap-assisted decay spectroscopy with ISOLTRAP

    NASA Astrophysics Data System (ADS)

    Kowalska, M.; Naimi, S.; Agramunt, J.; Algora, A.; Beck, D.; Blank, B.; Blaum, K.; Böhm, Ch.; Borgmann, Ch.; Breitenfeldt, M.; Fraile, L. M.; George, S.; Herfurth, F.; Herlert, A.; Kreim, S.; Lunney, D.; Minaya-Ramirez, E.; Neidherr, D.; Rosenbusch, M.; Rubio, B.; Schweikhard, L.; Stanja, J.; Zuber, K.

    2012-10-01

    Penning traps are excellent high-precision mass spectrometers for radionuclides. The high-resolving power used for cleaning isobaric and even isomeric contaminants can be exploited to improve decay-spectroscopy studies by delivering purified samples. An apparatus allowing trap-assisted decay spectroscopy has been coupled to the ISOLTRAP mass spectrometer at ISOLDE/CERN. The results from studies with stable and radioactive ions show that the setup can be used to perform decay studies on purified short-lived nuclides and to assist mass measurements.

  7. Laser-induced breakdown spectroscopy in Asia

    NASA Astrophysics Data System (ADS)

    Wang, Zhen-Zhen; Deguchi, Yoshihiro; Zhang, Zhen-Zhen; Wang, Zhe; Zeng, Xiao-Yan; Yan, Jun-Jie

    2016-12-01

    Laser-induced breakdown spectroscopy (LIBS) is an analytical detection technique based on atomic emission spectroscopy to measure the elemental composition. LIBS has been extensively studied and developed due to the non-contact, fast response, high sensitivity, real-time and multi-elemental detection features. The development and applications of LIBS technique in Asia are summarized and discussed in this review paper. The researchers in Asia work on different aspects of the LIBS study in fundamentals, data processing and modeling, applications and instrumentations. According to the current research status, the challenges, opportunities and further development of LIBS technique in Asia are also evaluated to promote LIBS research and its applications.

  8. Identification of residues by infrared spectroscopy

    SciTech Connect

    Barber, T.E.; Ayala, N.L.; Jin, Hong; Drumheller, C.T.

    1997-12-31

    Mid-infrared spectroscopy of surfaces can be a very powerful technique for the qualitative and quantitative analysis of surface residues. The goal of this work was to study the application of diffuse reflectance mid-infrared spectroscopy to the identification of pesticide, herbicide, and explosive residues on surfaces. A field portable diffuse reflectance spectrometer was used to collect the mid-infrared spectra of clean surfaces and contaminated surfaces. These spectra were used as calibration sets to develop automated data analysis to classify or to identify residues on samples. In this presentation, the instrumentation and data process algorithms will be discussed.

  9. Spectroscopy of element 115 decay chains.

    PubMed

    Rudolph, D; Forsberg, U; Golubev, P; Sarmiento, L G; Yakushev, A; Andersson, L-L; Di Nitto, A; Düllmann, Ch E; Gates, J M; Gregorich, K E; Gross, C J; Heßberger, F P; Herzberg, R-D; Khuyagbaatar, J; Kratz, J V; Rykaczewski, K; Schädel, M; Åberg, S; Ackermann, D; Block, M; Brand, H; Carlsson, B G; Cox, D; Derkx, X; Eberhardt, K; Even, J; Fahlander, C; Gerl, J; Jäger, E; Kindler, B; Krier, J; Kojouharov, I; Kurz, N; Lommel, B; Mistry, A; Mokry, C; Nitsche, H; Omtvedt, J P; Papadakis, P; Ragnarsson, I; Runke, J; Schaffner, H; Schausten, B; Thörle-Pospiech, P; Torres, T; Traut, T; Trautmann, N; Türler, A; Ward, A; Ward, D E; Wiehl, N

    2013-09-13

    A high-resolution α, x-ray, and γ-ray coincidence spectroscopy experiment was conducted at the GSI Helmholtzzentrum für Schwerionenforschung. Thirty correlated α-decay chains were detected following the fusion-evaporation reaction 48Ca + 243Am. The observations are consistent with previous assignments of similar decay chains to originate from element Z=115. For the first time, precise spectroscopy allows the derivation of excitation schemes of isotopes along the decay chains starting with elements Z>112. Comprehensive Monte Carlo simulations accompany the data analysis. Nuclear structure models provide a first level interpretation.

  10. The ROSPHERE γ-ray spectroscopy array

    NASA Astrophysics Data System (ADS)

    Bucurescu, D.; Căta-Danil, I.; Ciocan, G.; Costache, C.; Deleanu, D.; Dima, R.; Filipescu, D.; Florea, N.; Ghiţă, D. G.; Glodariu, T.; Ivaşcu, M.; Lică, R.; Mărginean, N.; Mărginean, R.; Mihai, C.; Negret, A.; Niţă, C. R.; Olăcel, A.; Pascu, S.; Sava, T.; Stroe, L.; Şerban, A.; Şuvăilă, R.; Toma, S.; Zamfir, N. V.; Căta-Danil, G.; Gheorghe, I.; Mitu, I. O.; Suliman, G.; Ur, C. A.; Braunroth, T.; Dewald, A.; Fransen, C.; Bruce, A. M.; Podolyák, Zs.; Regan, P. H.; Roberts, O. J.

    2016-11-01

    The ROmanian array for SPectroscopy in HEavy ion REactions (ROSPHERE) has been designed as a multi-detector setup dedicated to γ-ray spectroscopy studies at the Bucharest 9 MV Tandem accelerator. Consisting of up to 25 detectors (either Compton suppressed HPGe detectors or fast LaBr3(Ce) scintillator detectors) together with a state of the art plunger device, ROSPHERE is a powerful tool for lifetime measurements using the Recoil Distance Doppler Shift (RDDS) and the in-beam Fast Electronic Scintillation Timing (FEST) methods. The array's geometry, detectors, electronics and data acquisition system are described. Selected results from the first experimental campaigns are also presented.

  11. Explosive detection using infrared laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Hildenbrand, J.; Herbst, J.; Wöllenstein, J.; Lambrecht, A.

    2009-01-01

    Stand-off and extractive explosive detection methods for short distances are investigated using mid-infrared laser spectroscopy. A quantum cascade laser (QCL) system for TATP-detection by open path absorption spectroscopy in the gas phase was developed. In laboratory measurements a detection limit of 5 ppm*m was achieved. For explosives with lower vapor pressure an extractive hollow fiber based measurement system was investigated. By thermal desorption gaseous TATP or TNT is introduced into a heated fiber. The small sample volume and a fast gas exchange rate enable fast detection. TNT and TATP detection levels below 100 ng are feasible even in samples with a realistic contaminant background.

  12. Large Area X-Ray Spectroscopy Mission

    NASA Technical Reports Server (NTRS)

    Tananbaum, H.

    1997-01-01

    The Large Area X-ray Spectroscopy (LAXS) mission concept study continues to evolve strongly following the merging of the LAXS mission with the Next Generation X-ray Observatory (NGXO, PI: Nick White) into the re-named High Throughput X-ray Spectroscopy (HTXS) Mission. HTXS retains key elements of the LAXS proposal, including the use of multiple satellites for risk-reduction and cost savings. A key achievement of the program has been the recommendation by the Structure and Evolution of the Universe (SEUS) (April 1997) for a new start for the HTXS mission in the 2000-2004 timeframe.

  13. Applications of Raman spectroscopy to library heritage.

    PubMed

    Bicchieri, M; Nardone, M; Sodo, A

    2001-01-01

    This work reports some different applications of Raman spectroscopy, a high sensitive non-destructive technique, to the conservation of Library Heritage. By Raman spectroscopy we were able to detect the chemical mechanisms leading to cellulose degradation, identifying the different functional groups formed during the paper ageing. This kind of information is fundamental to choose a suited restoration treatment. A second reported application is the identification of pigments used to decorate paper and parchments. We report some results obtained from analysis of a XV and a XIII century illuminations. PMID:11836947

  14. Spectroscopy of element 115 decay chains.

    PubMed

    Rudolph, D; Forsberg, U; Golubev, P; Sarmiento, L G; Yakushev, A; Andersson, L-L; Di Nitto, A; Düllmann, Ch E; Gates, J M; Gregorich, K E; Gross, C J; Heßberger, F P; Herzberg, R-D; Khuyagbaatar, J; Kratz, J V; Rykaczewski, K; Schädel, M; Åberg, S; Ackermann, D; Block, M; Brand, H; Carlsson, B G; Cox, D; Derkx, X; Eberhardt, K; Even, J; Fahlander, C; Gerl, J; Jäger, E; Kindler, B; Krier, J; Kojouharov, I; Kurz, N; Lommel, B; Mistry, A; Mokry, C; Nitsche, H; Omtvedt, J P; Papadakis, P; Ragnarsson, I; Runke, J; Schaffner, H; Schausten, B; Thörle-Pospiech, P; Torres, T; Traut, T; Trautmann, N; Türler, A; Ward, A; Ward, D E; Wiehl, N

    2013-09-13

    A high-resolution α, x-ray, and γ-ray coincidence spectroscopy experiment was conducted at the GSI Helmholtzzentrum für Schwerionenforschung. Thirty correlated α-decay chains were detected following the fusion-evaporation reaction 48Ca + 243Am. The observations are consistent with previous assignments of similar decay chains to originate from element Z=115. For the first time, precise spectroscopy allows the derivation of excitation schemes of isotopes along the decay chains starting with elements Z>112. Comprehensive Monte Carlo simulations accompany the data analysis. Nuclear structure models provide a first level interpretation. PMID:24074079

  15. Metal Atom Lability in Polynuclear Complexes

    PubMed Central

    Eames, Emily V.; Sánchez, Raúl Hernández

    2013-01-01

    The asymmetric oxidation product [(PhL)Fe3(µ-Cl)]2 [PhLH6 = MeC(CH2NHPh-o-NHPh)3], where each trinuclear core is comprised of an oxidized diiron unit [Fe2]5+ and an isolated trigonal pyramidal ferrous site, reacts with MCl2 salts to afford heptanuclear bridged structures of the type (PhL)2Fe6M(µ-Cl)4(thf)2, where M = Fe or Co. Zero-field, 57Fe Mössbauer analysis revealed the Co resides within the trinuclear core subunits, not at the octahedral, halide-bridged MCl4(thf)2 position indicating Co migration into the trinuclear subunits has occurred. Reaction of [(PhL)Fe3(µ-Cl)]2 with CoCl2 (2 or 5 equivalents) followed by precipitation via addition of acetonitrile afforded trinuclear products where one or two irons, respectively, can be substituted within the trinuclear core. Metal atom substitution was verified by 1H NMR, 57Fe Mossbauer, single crystal X-ray diffraction, X-ray fluorescence, and magnetometry analysis. Spectroscopic analysis revealed that the Co atom(s) substitute into the oxidized dimetal unit ([M2]5+), while the M2+ site remains iron-substituted. Magnetic data acquired for the series are consistent with this analysis revealing the oxidized dimetal unit comprises a strongly coupled S = 1 unit ([FeCo]5+) or S = ½ ([Co2]5+) that is weakly antiferromagnetically coupled to the high spin (S = 2) ferrous site. The kinetic pathway for metal substitution was probed via reaction of [(PhL)Fe3(µ-Cl)]2 with isotopically enriched 57FeCl2(thf)2, the results of which suggest rapid equilibration of 57Fe into both the M2+ site and oxidized diiron site, achieving a 1:1 mixture. PMID:23642178

  16. Reflectance spectra of sulfate-and carbonate-bearing Fe(3+)-doped montmorillonites as Mars soil analogs

    NASA Technical Reports Server (NTRS)

    Bishop, Janice L.; Pieters, Carle M.; Burns, Roger G.

    1993-01-01

    Ferric smectites and ferrihydrite may be common alteration products of igneous lithologies on Mars, and experiments involving montmorillonite enriched with Fe(3+) support the likelihood of ferric smectites on Mars. Mossbauer spectroscopy has been used to identify ferrihydrite (Fe4(O,OH,H2O)12) as the primary ferric material in Fe(3+)-doped montmorillonite. Ferrihydrite is especially interesting due to its role as a precursor in the formation of hematite and goethite. Reflectance spectroscopy in the visible and infrared regions are coupled with Mossbauer spectroscopy in this study to characterize the ferric material in montmorillonites containing Fe(3+), as well as carbonates or sulfates, in the interlayer region.

  17. X-ray spectroscopy: Enlightened state

    NASA Astrophysics Data System (ADS)

    McCusker, James K.

    2014-07-01

    Determining the sequence of events following photon absorption by a molecule can be a surprisingly challenging task. An innovative use of time-resolved X-ray spectroscopy has revealed an important insight into the ultrafast excited-state dynamics of a well-known inorganic chromophore.

  18. Surface enhanced Raman spectroscopy on copper hydrosols.

    PubMed

    Angebranndt, M J; Winefordner, J D

    1992-06-01

    Surface enhanced Raman spectroscopy (SERS) allows the detection of trace quantities of molecular species adsorbed onto a surface. The potential use of silver colloids as substrates for analytical SERS measurements is demonstrated. Detection limits and other analytical figures of merit for pyridine, p-aminobenzoic acid and p-nitrobenzoic acid are presented.

  19. Planar diode multiplier chains for THz spectroscopy

    NASA Technical Reports Server (NTRS)

    Maiwald, Frank W.; Drouin, Brian J.; Pearson, John C.; Mehdi, Imran; Lewena, Frank; Endres, Christian; Winnewisser, Gisbert

    2005-01-01

    High-resolution laboratory spectroscopy is utilized as a diagnostic tool to determine noise and harmonic content of balanced [9]-[11] and unbalanced [12]-[14] multiplier designs. Balanced multiplier designs suppress unintended harmonics more than -20dB. Much smaller values were measured on unbalanced multipliers.

  20. Results and Frontiers in Lattice Baryon Spectroscopy

    SciTech Connect

    John Bulava; Robert Edwards; George Fleming; K.Jimmy Juge; Adam C. Lichtl; Nilmani Mathur; Colin Morningstar; David Richards; Stephen J. Wallace

    2007-06-16

    The Lattice Hadron Physics Collaboration (LHPC) baryon spectroscopy effort is reviewed. To date the LHPC has performed exploratory Lattice QCD calculations of the low-lying spectrum of Nucleon and Delta baryons. These calculations demonstrate the effectiveness of our method by obtaining the masses of an unprecedented number of excited states with definite quantum numbers. Future work of the project is outlined.

  1. Results and Frontiers in Lattice Baryon Spectroscopy

    SciTech Connect

    Bulava, John; Morningstar, Colin; Edwards, Robert; Richards, David; Fleming, George; Juge, K. Jimmy; Lichtl, Adam C.; Mathur, Nilmani; Wallace, Stephen J.

    2007-10-26

    The Lattice Hadron Physics Collaboration (LHPC) baryon spectroscopy effort is reviewed. To date the LHPC has performed exploratory Lattice QCD calculations of the low-lying spectrum of Nucleon and Delta baryons. These calculations demonstrate the effectiveness of our method by obtaining the masses of an unprecedented number of excited states with definite quantum numbers. Future work of the project is outlined.

  2. Monitoring enzymatic ATP hydrolysis by EPR spectroscopy.

    PubMed

    Hacker, Stephan M; Hintze, Christian; Marx, Andreas; Drescher, Malte

    2014-07-14

    An adenosine triphosphate (ATP) analogue modified with two nitroxide radicals is developed and employed to study its enzymatic hydrolysis by electron paramagnetic resonance spectroscopy. For this application, we demonstrate that EPR holds the potential to complement fluorogenic substrate analogues in monitoring enzymatic activity.

  3. Ir Spectroscopy and Nickel (II) Hexammines

    ERIC Educational Resources Information Center

    Reedijk, J.; And Others

    1975-01-01

    Describes an experiment, for the general chemistry laboratory, intended to introduce the student to infrared spectroscopy. After being introduced to the theory of molecular vibrations on an elementary level, each student receives a list of 5-7 nickel (II) ammines to be prepared, analyzed and characterized by infrared spectoscopy. (MLH)

  4. Laser spectroscopy and dynamics of transient species

    SciTech Connect

    Clouthier, D.J.

    1993-12-01

    The goal of this program is to study the vibrational and electronic spectra and excited state dynamics of a number of transient sulfur and oxygen species. A variety of supersonic jet techniques, as well as high resolution FT-IR and intracavity dye laser spectroscopy, have been applied to these studies.

  5. Terahertz homodyne self-mixing transmission spectroscopy

    SciTech Connect

    Mohr, Till Breuer, Stefan; Blömer, Dominik; Patel, Sanketkumar; Schlosser, Malte; Birkl, Gerhard; Elsäßer, Wolfgang; Simonetta, Marcello; Deninger, Anselm; Giuliani, Guido

    2015-02-09

    A compact homodyne self-mixing terahertz spectroscopy concept is experimentally investigated and confirmed by calculations. This method provides amplitude and phase information of the terahertz radiation emitted by a photoconductive antenna in a transmission experiment where a rotating chopper wheel serves as a feedback mirror. As a proof-of-principle experiment the frequency-dependent refractive index of Teflon is measured.

  6. Spectroscopy of Sound Transmission in Solid Samples

    ERIC Educational Resources Information Center

    Campbell, Dean J.; Peterson, Joshua P.; Fitzjarrald, Tamara J.

    2013-01-01

    These laboratory experiments are designed to familiarize students with concepts of spectroscopy by using sound waves. Topics covered in these experiments include the structure of nitinol alloys and polymer chain stiffness as a function of structure and temperature. Generally, substances that are stiffer or have higher symmetry at the molecular…

  7. Raman Spectroscopy Cell-based Biosensors

    PubMed Central

    Notingher, Ioan

    2007-01-01

    One of the main challenges faced by biodetection systems is the ability to detect and identify a large range of toxins at low concentrations and in short times. Cell-based biosensors rely on detecting changes in cell behaviour, metabolism, or induction of cell death following exposure of live cells to toxic agents. Raman spectroscopy is a powerful technique for studying cellular biochemistry. Different toxic chemicals have different effects on living cells and induce different time-dependent biochemical changes related to cell death mechanisms. Cellular changes start with membrane receptor signalling leading to cytoplasmic shrinkage and nuclear fragmentation. The potential advantage of Raman spectroscopy cell-based systems is that they are not engineered to respond specifically to a single toxic agent but are free to react to many biologically active compounds. Raman spectroscopy biosensors can also provide additional information from the time-dependent changes of cellular biochemistry. Since no cell labelling or staining is required, the specific time dependent biochemical changes in the living cells can be used for the identification and quantification of the toxic agents. Thus, detection of biochemical changes of cells by Raman spectroscopy could overcome the limitations of other biosensor techniques, with respect to detection and discrimination of a large range of toxic agents. Further developments of this technique may also include integration of cellular microarrays for high throughput in vitro toxicological testing of pharmaceuticals and in situ monitoring of the growth of engineered tissues.

  8. Photoelectron Spectroscopy of U Oxide at LLNL

    SciTech Connect

    Tobin, J G; Yu, S; Chung, B W; Waddill, G D

    2010-03-02

    In our laboratory at LLNL, an effort is underway to investigate the underlying complexity of 5f electronic structure with spin-resolved photoelectron spectroscopy using chiral photonic excitation, i.e. Fano Spectroscopy. Our previous Fano measurements with Ce indicate the efficacy of this approach and theoretical calculations and spectral simulations suggest that Fano Spectroscopy may resolve the controversy concerning Pu electronic structure and electron correlation. To this end, we have constructed and commissioned a new Fano Spectrometer, testing it with the relativistic 5d system Pt. Here, our preliminary photoelectron spectra of the UO{sub 2} system are presented. X-ray photoelectron spectroscopy has been used to characterize a sample of UO{sub 2} grown on an underlying substrate of Uranium. Both AlK{alpha} (1487 eV) and MgK{alpha} (1254 eV) emission were utilized as the excitation. Using XPS and comparing to reference spectra, it has been shown that our sample is clearly UO{sub 2}.

  9. Charmed baryon spectroscopy from CLEO at CESR

    SciTech Connect

    Alam, M. Sajjad

    1999-02-17

    Charmed baryon spectroscopy has been unfolding since the discovery of the first charmed baryon in 1975. The Cornell Electron Storage Ring (CESR) has now established itself as a charmed particle factory. In this report, we present results on charmed baryon production at CESR using the CLEO detector.

  10. Fabrication methods for compact atomic spectroscopy

    NASA Astrophysics Data System (ADS)

    Hawkins, Aaron R.; Hulbert, John F.; Carroll, Brandon T.; Wu, Bin; Schmidt, Holger

    2008-02-01

    Atomic spectroscopy relies on photons to probe the energy states of atoms, typically in a gas state. In addition to providing fundamental scientific information, this technique can be applied to a number of photonic devices including atomic clocks, laser stabilization references, slow light elements, and eventually quantum communications components. Atomic spectroscopy has classically been done using bulk optics and evacuated transparent vapor cells. Recently, a number of methods have been introduced to dramatically decrease the size of atomic spectroscopy systems by integrating optical functionality. We review three of these techniques including: 1) photonic crystal fiber based experiments, 2) wafer bonded mini-cells containing atomic vapors and integrated with lasers and detectors, and 3) hollow waveguides containing atomic vapors fabricated on silicon substrates. In the context of silicon photonics, we will emphasize the hollow waveguide platform. At the heart of these devices is the anti-resonant reflecting optical waveguide (ARROW). ARROW fabrication techniques will be described for both hollow and solid core designs. Solid-core waveguides are necessary to direct light on and off the silicon chip while confining atomic vapors to hollow-core waveguides. We will also discuss the methods and challenges of attaching rubidium vapor reservoirs to the chip. Experimental results for optical spectroscopy of rubidium atoms on a chip will be presented.

  11. Raman Spectroscopy of Bone and Cartilage

    NASA Astrophysics Data System (ADS)

    Morris, Michael

    This chapter will reviews the Raman spectroscopy of the subject tissues. After a brief introduction to the structure, biology, and function of these tissues, we will describe the spectra and band assignments of the tissues and then summarize applications to studies of tissue development, mechanical function and competence, and pathology. Both metabolic diseases and genetic disorders will be covered.

  12. Using GPU Programming for Inverse Spectroscopy

    SciTech Connect

    David Gerts; N. Fredette; H. Wimberly

    2010-07-01

    The Idaho National Laboratory (INL) has developed a detector that relies heavily on computationally expensive inverse spectroscopy algorithms to determine probabilistic three dimensional mappings of the source and its intensity. This inverse spectroscopy algorithm applies to material accountability due to the potential to determine where nuclear sources are present as a function of time and space. And yet because the novel algorithm can become prohibitively expensive on a standard desktop PC, the INL has incorporated new hardware from the commercial graphics community. General programming for graphics processing units (GPUs) is not a new concept. However, the application of GPUs to evidence theory-based inverse spectroscopy is both novel and particularly apropos. Improvements while using a (slightly upgraded) standard PC are approximately three orders of magnitude, making a ten hour computation in less than four seconds. This significantly changes the concept of prohibitively expensive calculations and makes application to materials accountability possible in near real time. Indeed, the sensor collection time is now expected to dominate the time required to determine the source and its intensity, instead of the inverse spectroscopy method.

  13. A New Spin on Photoemission Spectroscopy

    SciTech Connect

    Jozwiak, Chris

    2008-12-01

    The electronic spin degree of freedom is of general fundamental importance to all matter. Understanding its complex roles and behavior in the solid state, particularly in highly correlated and magnetic materials, has grown increasingly desirable as technology demands advanced devices and materials based on ever stricter comprehension and control of the electron spin. However, direct and efficient spin dependent probes of electronic structure are currently lacking. Angle Resolved Photoemission Spectroscopy (ARPES) has become one of the most successful experimental tools for elucidating solid state electronic structures, bolstered by-continual breakthroughs in efficient instrumentation. In contrast, spin-resolved photoemission spectroscopy has lagged behind due to a lack of similar instrumental advances. The power of photoemission spectroscopy and the pertinence of electronic spin in the current research climate combine to make breakthroughs in Spin and Angle Resolved Photoemission Spectroscopy (SARPES) a high priority . This thesis details the development of a unique instrument for efficient SARPES and represents a radical departure from conventional methods. A custom designed spin polarimeter based on low energy exchange scattering is developed, with projected efficiency gains of two orders of magnitude over current state-of-the-art polarimeters. For energy analysis, the popular hemispherical analyzer is eschewed for a custom Time-of-Flight (TOF) analyzer offering an additional order of magnitude gain in efficiency. The combined instrument signifies the breakthrough needed to perform the high resolution SARPES experiments necessary for untangling the complex spin-dependent electronic structures central to today's condensed matter physics.

  14. Axillary lymph node analysis using Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Smith, Jenny; Christie-Brown, Jonathan; Sammon, Alastair; Stone, Nicholas

    2004-07-01

    Raman Spectroscopy is an optical diagnostic technique applied in this study to classify axillary lymph nodes from breast cancer patients as positive or negative for metastases. The mapping technique in this study is 81% sensitive and 97% specific for the correct classification of positive lymph nodes. Raman spectral images of lymph node sections are constructed to facilitate interpretation of tissue features.

  15. Recent progress in in vivo ESR spectroscopy.

    PubMed

    Takeshita, Keizo; Ozawa, Toshihiko

    2004-09-01

    The generation of free radicals and redox status is related to various diseases and injuries that are related to radiation, aging, ischemia-reperfusion, and other oxidative factors. In vivo electron spin resonance (ESR) spectroscopy is noninvasive and detects durable free radicals in live animals. ESR spectrometers for in vivo measurements operate at a lower frequency (approximately 3.5 GHz, approximately 1 GHz, 700 MHz, and approximately 300 MHz) than usual (9-10 GHz). Several types of resonators have been designed to minimize the dielectric loss of electromagnetic waves caused by water in animal bodies. In vivo ESR spectroscopy and its imaging have been used to analyze radical generation, redox status, partial pressure of oxygen and other conditions in various disease and injury models related to oxidative stress with probes, such as nitroxyl radicals. Through these applications, the clarification of the mechanisms related to oxidative diseases (injuries) and the accumulation of basic data for radiological cancer therapy are now ongoing. In vivo ESR measurement is performed in about 10 laboratories worldwide, including ours. To introduce in vivo ESR spectroscopy to life scientists, this article reviews the recent progress of in vivo ESR spectroscopy in instrumentation and its application to the life sciences.

  16. Gamma ray spectroscopy in astrophysics. [conferences

    NASA Technical Reports Server (NTRS)

    Cline, T. L. (Editor); Ramaty, R. (Editor)

    1978-01-01

    Experimental and theoretical aspects of gamma ray spectroscopy in high energy astrophysics are discussed. Line spectra from solar, stellar, planetary, and cosmic gamma rays are examined as well as HEAO investigations, the prospects of a gamma ray observatory, and follow-on X-ray experiments in space.

  17. Fourier Transform Infrared Spectroscopy Part III. Applications.

    ERIC Educational Resources Information Center

    Perkins, W. D.

    1987-01-01

    Discusses the use of the FT-IR spectrometer in analyses that were previously avoided. Examines some of the applications of this spectroscopy with aqueous solutions, circular internal reflection, samples with low transmission, diffuse reflectance, infrared emission, and the infrared microscope. (TW)

  18. Variational method for lattice spectroscopy with ghosts

    SciTech Connect

    Burch, Tommy; Hagen, Christian; Gattringer, Christof; Glozman, Leonid Ya.; Lang, C.B.

    2006-01-01

    We discuss the variational method used in lattice spectroscopy calculations. In particular we address the role of ghost contributions which appear in quenched or partially quenched simulations and have a nonstandard euclidean time dependence. We show that the ghosts can be separated from the physical states. Our result is illustrated with numerical data for the scalar meson.

  19. Pear quality characteristics by Vis / NIR spectroscopy.

    PubMed

    Machado, Nicácia P; Fachinello, José C; Galarça, Simone P; Betemps, Débora L; Pasa, Mateus S; Schmitz, Juliano D

    2012-09-01

    Recently, non-destructive techniques such as the Vis / NIR spectroscopy have been used to evaluate the characteristics of maturation and quality of pears. The study aims to validate the readings by the Vis / NIR spectroscopy as a non-destructive way to assess the qualitative characteristics of pear cultivars 'Williams', 'Packams' and 'Carrick', produced according to Brazilian conditions. The experiment was conducted at the Pelotas Federal University, UFPel, in Pelotas / RS, and the instrument used to measure the fruit quality in a non-destructive way was the NIR- Case spectrophotometer (SACMI, Imola, Italy). To determine pears' soluble solids (SS) and pulp firmness (PF), it was established calibration equations for each variety studied, done from the evaluations obtained by a non-destructive method (NIR-Case) and a destructive method. Further on, it was tested the performance of these readings by linear regressions. The results were significant for the soluble solids parameter obtained by the Vis / NIR spectroscopy; however, it did not achieve satisfactory results for the pear pulp firmness of these cultivars. It is concluded that the Vis / NIR spectroscopy, using linear regression, allows providing reliable estimates of pears' quality levels, especially for soluble solids.

  20. Fourier transform stimulated emission pumping spectroscopy

    NASA Astrophysics Data System (ADS)

    Felker, P. M.; Henson, B. F.; Corcoran, T. C.; Connell, L. L.; Hartland, G. V.

    1987-12-01

    Theoretical and experimental results that demonstrate a new technique of non-linear interferometry based on stimulated emission pumping spectroscopy (SEPS) are presented. It is shown that splittings between the initial and final states in SEP processes can be measured by the method. Advantages and disadvantages of the technique relative to spectral domain SEPS are discussed.