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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. Electronic structure of the unique [4Fe-3S] cluster in O2-tolerant hydrogenases characterized by 57Fe Mossbauer and EPR spectroscopy.

    PubMed

    Pandelia, Maria-Eirini; Bykov, Dmytro; Izsak, Robert; Infossi, Pascale; Giudici-Orticoni, Marie-Thérèse; Bill, Eckhard; Neese, Frank; Lubitz, Wolfgang

    2013-01-01

    Iron-sulfur clusters are ubiquitous electron transfer cofactors in hydrogenases. Their types and redox properties are important for H(2) catalysis, but, recently, their role in a protection mechanism against oxidative inactivation has also been recognized for a [4Fe-3S] cluster in O(2)-tolerant group 1 [NiFe] hydrogenases. This cluster, which is uniquely coordinated by six cysteines, is situated in the proximity of the catalytic [NiFe] site and exhibits unusual redox versatility. The [4Fe-3S] cluster in hydrogenase (Hase) I from Aquifex aeolicus performs two redox transitions within a very small potential range, forming a superoxidized state above +200 mV vs. standard hydrogen electrode (SHE). Crystallographic data has revealed that this state is stabilized by the coordination of one of the iron atoms to a backbone nitrogen. Thus, the proximal [4Fe-3S] cluster undergoes redox-dependent changes to serve multiple purposes beyond classical electron transfer. In this paper, we present field-dependent (57)Fe-Mössbauer and EPR data for Hase I, which, in conjunction with spectroscopically calibrated density functional theory (DFT) calculations, reveal the distribution of Fe valences and spin-coupling schemes for the iron-sulfur clusters. The data demonstrate that the electronic structure of the [4Fe-3S] core in its three oxidation states closely resembles that of corresponding conventional [4Fe-4S] cubanes, albeit with distinct differences for some individual iron sites. The medial and distal iron-sulfur clusters have similar electronic properties as the corresponding cofactors in standard hydrogenases, although their redox potentials are higher. PMID:23267108

  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. Eu doping in multiferroic BiFeO3 ceramics studied by Mossbauer and EXAFS spectroscopy.

    PubMed

    Kothari, Deepti; Raghavendra Reddy, V; Gupta, Ajay; Meneghini, Carlo; Aquilanti, Giuliana

    2010-09-01

    Bismuth ferrite ceramics (BiFeO(3)) are multifunctional materials classified as multiferroics for their special magnetic and electric properties that can be modified by substitutional doping at the Bi and/or Fe sites. Understanding the relation between magnetoelectric response and structural/electronic modification upon doping is a relevant issue. In this work, the structure of Eu-doped multiferroic systems (Bi(1-x)Eu(x)FeO(3), x = 0, 0.5, 0.1, 0.15) as well as the valence state of Fe and Eu ions have been investigated combining Mossbauer and x-ray absorption fine structure (XAFS) spectroscopy techniques. The Eu(3+) doping at the Bi site results in better magnetic properties. High temperature (57)Fe Mossbauer data and Fe K-edge XAFS results show that FeO(6) octahedron distortions reduce with Eu(3+) doping. It is conclusively shown that the observed magnetic properties in BiFeO(3) with chemical substitution (Eu) are mainly due to the structural distortions and not due to Fe multiple valence. (151)Eu Mossbauer measurements show that the Eu(3+)(Bi(3+)) site is magnetically inactive in BiFeO(3). PMID:21403301

  7. Eu doping in multiferroic BiFeO3 ceramics studied by Mossbauer and EXAFS spectroscopy

    NASA Astrophysics Data System (ADS)

    Kothari, Deepti; Raghavendra Reddy, V.; Gupta, Ajay; Meneghini, Carlo; Aquilanti, Giuliana

    2010-09-01

    Bismuth ferrite ceramics (BiFeO3) are multifunctional materials classified as multiferroics for their special magnetic and electric properties that can be modified by substitutional doping at the Bi and/or Fe sites. Understanding the relation between magnetoelectric response and structural/electronic modification upon doping is a relevant issue. In this work, the structure of Eu-doped multiferroic systems (Bi1 - xEuxFeO3, x = 0, 0.5, 0.1, 0.15) as well as the valence state of Fe and Eu ions have been investigated combining Mossbauer and x-ray absorption fine structure (XAFS) spectroscopy techniques. The Eu3 + doping at the Bi site results in better magnetic properties. High temperature 57Fe Mossbauer data and Fe K-edge XAFS results show that FeO6 octahedron distortions reduce with Eu3 + doping. It is conclusively shown that the observed magnetic properties in BiFeO3 with chemical substitution (Eu) are mainly due to the structural distortions and not due to Fe multiple valence. 151Eu Mossbauer measurements show that the Eu3 + (Bi3 + ) site is magnetically inactive in BiFeO3.

  8. 57Fe Mössbauer spectroscopy used to develop understanding of a diamond preservation index model

    NASA Astrophysics Data System (ADS)

    Yambissa, M. T.; Forder, S. D.; Bingham, P. A.

    2016-12-01

    57Fe Mössbauer spectroscopy has provided precise and accurate iron redox ratios Fe2+/Fe3+ in ilmenite, FeTiO3, found within kimberlite samples from the Catoca and Camatxia kimberlite pipes from N.E. Angola. Ilmenite is one of the key indicator minerals for diamond survival and it is also one of the iron-bearing minerals with iron naturally occurring in one or both of the oxidation states Fe3+ and Fe2+. For this reason it is a good indicator for studying oxygen fugacities ( fO2) in mineral samples, which can then be related to iron redox ratios, Fe2+/Fe3+. In this paper we demonstrate that the oxidation state of the ilmenite mineral inclusion from sampled kimberlite rock is a key indicator of the oxidation state of the host kimberlite assemblage, which in turn determines the genesis of diamond, grade variation and diamond quality. Ilmenite samples from the two different diamondiferous kimberlite localities (Catoca and Camatxia) in the Lucapa graben, N.E. Angola, were studied using Mössbauer spectroscopy and X-Ray Diffractometry, in order to infer the oxidation state of their source regions in the mantle, oxygen partial pressure and diamond preservation conditions. The iron redox ratios, obtained using Mössbauer spectroscopy, show that the Catoca diamond kimberlite is more oxidised than kimberlite found in the Camatxia pipe, which is associated within the same geological tectonic structure. Here we demonstrate that57Fe Mössbauer spectroscopy can assist geologists and mining engineers to effectively evaluate and determine whether kimberlite deposits are economically feasible for diamond mining.

  9. 57FE Mössbauer spectroscopy studies of Tektites from Khon Kaen, Ne Thailand

    NASA Astrophysics Data System (ADS)

    Costa, B. F. O.; Klingelhöfer, G.; Alves, E. I.

    2014-01-01

    Room temperature 57Fe Mössbauer effect spectroscopy has been used to investigate the local Fe environment in a set of indochinite tektites from Thailand. A MIMOS II spectrometer in backscattering geometry has been used in the study, so that no sample preparation at all was required. The spectra have been analysed in terms of discrete spectral components using Voigt functions. The results are similar to those obtained with analysis done with quadrupole splitting distributions. In all cases the Mössbauer spectra show a broadened asymmetric quadrupole split doublet. The Fe 2+ sites have been distinguished in Fe with octahedral and tetrahedral coordination. The Fe3+ /Fe2+ and Fe2+ tetrahedral/octahedral ratios have been determined from the relative areas of the various spectral components. Their values have been discussed in the light of actual literature.

  10. Raman and Mossbauer spectroscopy and X-ray diffractometry studies on quenched copper-ferri-aluminates.

    PubMed

    Modi, Kunal B; Raval, Pooja Y; Shah, Suraj J; Kathad, Chetan R; Dulera, Sonal V; Popat, Mansi V; Zankat, Kiritsinh B; Saija, Kiran G; Pathak, Tushar K; Vasoya, Nimish H; Lakhani, Vinay K; Chandra, Usha; Jha, Prafulla K

    2015-02-16

    Four spinel ferrite compositions of the CuAl(x)Fe(2-x)O4, x = 0.0, 0.2, 0.4, 0.6, system prepared by usual double-sintering ceramic route and quenched (rapid thermal cooling) from final sintering temperature (1373 K) to liquid nitrogen temperature (80 K) were investigated by employing X-ray powder diffractometry, (57)Fe Mossbauer spectroscopy, and micro-Raman spectroscopy at 300 K. The Raman spectra collected in the wavenumber range of 100-1000 cm(-1) were analyzed in a systematic manner and showed five predicted modes for the spinel structure and splitting of A1g Raman mode into two/three energy values, attributed to peaks belonging to each ion (Cu(2+), Fe(3+), and Al(3+)) in the tetrahedral positions. The suppression of lower-frequency peaks was explained on the basis of weakening in magnetic coupling and reduction in ferrimagnetic behavior as well as increase in stress induced by square bond formation on Al(3+) substitution. The enhancement in intensity, random variation of line width, and blue shift for highest frequency peak corresponding to A1g mode were observed. The ferric ion (Fe(3+)) concentration for different compositions determined from Raman spectral analysis agrees well with that deduced by means of X-ray diffraction line-intensity calculations and Mossbauer spectral analysis. An attempt was made to determine elastic and thermodynamic properties from Raman spectral analysis and elastic constants from cation distribution. PMID:25594232

  11. Short-range order in iron alloys studied by 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2013-04-01

    The room temperature Mössbauer spectra of 57Fe were measured for dilute iron-based solid solutions FeD (D=Co, Cr, Mn, Mo, Ni, Pt, Re, Ti). Analysis of the obtained spectra gave clear evidence that the distribution of impurity atoms in the two first coordination shells of 57Fe nuclei is not homogenous and it cannot be described in terms of binomial distribution. Quantitatively, the effects were described in terms of the short-range order parameters.

  12. 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.

  13. Structural magnetic and Mossbauer study of 57Fe doped La2/3Ca1/3Mn1-xFexO3 (0≥x≥0.1) manganites

    NASA Astrophysics Data System (ADS)

    Sánchez, L. C.; Durango, D.; Arnache, O.

    2016-02-01

    We have studied the effect of 57Fe substitution on structural and magnetic properties of La2/3Ca1/3Mn1-xFexO3 (LCMFO; x=0, 5 and 10%) manganites. The powders were prepared by the solid state reaction method, and the final products were characterized by X-Ray Diffraction (XRD), Mössbauer Spectrometry and Magnetic Measurements. Only one single phase corresponding to the manganite phase was detected without the presence of impurities or iron phases. The hyperfine parameters of Mossbauer spectra (MS), taken at different temperatures for the doped samples, reveal the only presence of Fe3+ ions in octahedral coordination. At low temperatures, the MS spectra were fitted with a model of three components associated to three magnetic phases of iron (ferromagnetic and paramagnetic states). These ordered and not ordered magnetic phases are related to the effects of grain size distribution in LCMFO samples. Finally, significant changes were observed in the saturation magnetization, Curie temperature and coercivity field with increasing of iron doping level.

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 57 Fe Mössbauer spectroscopy studies of chondritic meteorites from the Atacama Desert, Chile: Implications for weathering processes

    NASA Astrophysics Data System (ADS)

    Munayco, P.; Munayco, J.; Valenzuela, M.; Rochette, P.; Gattacceca, J.; Scorzelli, R. B.

    2014-01-01

    Some terrestrial areas have climatic and geomorphologic features that favor the preservation, and therefore, accumulation of meteorites. The Atacama Desert in Chile is among the most important of such areas, known as dense collection areas. This desert is the driest on Earth, one of the most arid, uninhabitable locals with semi-arid, arid and hyper-arid conditions. The meteorites studied here were collected from within the dense collection area of San Juan at the Central Depression and Coastal Range of Atacama Desert. 57Fe Mössbauer spectroscopy was used for quantitative analysis of the degree of weathering of the meteorites, through the determination of the proportions of the various Fe-bearing phases and in particular the amount of oxidized iron in the terrestrial alteration products. The abundance of ferric ions in weathered chondrites can be related to specific precursor compositions and to the level of terrestrial weathering. The aim of the study was the identification, quantification and differentiation of the weathering products in the ordinary chondrites found in the San Juan area of Atacama Desert.

  2. 57Fe emission Mössbauer spectroscopy following dilute implantation of 57Mn into In 2O3

    NASA Astrophysics Data System (ADS)

    Mokhles Gerami, A.; Johnston, K.; Gunnlaugsson, H. P.; Nomura, K.; Mantovan, R.; Masenda, H.; Matveyev, Y. A.; Mølholt, T. E.; Ncube, M.; Shayestehaminzadeh, S.; Unzueta, I.; Gislason, H. P.; Krastev, P. B.; Langouche, G.; Naidoo, D.; Ólafsson, S.

    2016-12-01

    Emission Mössbauer spectroscopy has been utilised to characterize dilute 57Fe impurities in In 2O3 following implantation of 57Mn ( T 1/2 = 1.5 min.) at the ISOLDE facility at CERN. From stoichiometry considerations, one would expect Fe to adopt the valence state 3 + , substituting In 3+, however the spectra are dominated by spectral lines due to paramagnetic Fe2+. Using first principle calculations in the framework of density functional theory (DFT), the density of states of dilute Fe and the hyperfine parameters have been determined. The hybridization between the 3d-band of Fe and the 2p band of oxygen induces a spin-polarized hole on the O site close to the Fe site, which is found to be the cause of the Fe2+ state in In 2O3. Comparison of experimental data to calculated hyperfine parameters suggests that Fe predominantly enters the 8b site rather than the 24d site of the cation site in the Bixbyite structure of In 2O3. A gradual transition from an amorphous to a crystalline state is observed with increasing implantation/annealing temperature.

  3. 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.

  4. 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.

  5. Iron-oxide aerogel and xerogel catalyst formulations: Characterization by 57Fe Mössbauer and XAFS spectroscopies

    NASA Astrophysics Data System (ADS)

    Huggins, Frank E.; Bali, Sumit; Huffman, Gerald P.; Eyring, Edward M.

    2010-06-01

    Iron in various iron-oxide aerogel and xerogel catalyst formulations (≥85% Fe 2O 3; ≤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 57Fe Mössbauer 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 Mössbauer 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 Mössbauer effective thickness (recoilless absorption effect per unit mass of iron) parameter, χeff/ 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. Mössbauer 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 the Hägg carbide, χ-Fe 5C

  6. 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

  7. Hyperfine fields at 57Fe in dilute iron-based alloys determined by Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2015-04-01

    The room temperature Mössbauer spectra of 57Fe were measured for several dilute iron-based alloys, Fe1-xDx (D = Co, Cr, Mn, Mo, Pt, Re, Ta, V, W), annealed at 1270 K for 2 h before the measurements. The analysis of the spectra shows that the effective hyperfine field B at 57Fe nuclei depends on the concentration x of the minority component of the alloys under consideration and the dependence is different for iron nuclei having unlike numbers of impurities in their neighbourhood. The latter is at variance with previously published data, which suggest that the general B(x) dependence is common for all impurity configurations present in the vicinity of iron nuclei.

  8. Provenance study of obsidians from the archaeological site of La Maná (Ecuador) by electron spin resonance (ESR), SQUID magnetometry and 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Duttine, M.; Scorzelli, R. B.; Poupeau, G.; Bustamante, A.; Bellido, A. V.; Lattini, R. M.; Guillaume-Gentil, N.

    2007-02-01

    Obsidians from major Ecuadorian sources (outcrops) were analyzed by electron spin resonance, SQUID magnetometry and 57Fe Mössbauer spectroscopy. If the last technique allows to discriminate obsidians from the Quiscatola source, an association of ESR with SQUID magnetometry permits to differentiate obsidians from the sources of Cotopaxi volcano, from the Quiscatola and Mullumica-Callejones sources of the Chacana caldera and to infer that the 12 analyzed obsidians from the pre-Hispanic site of La Maná come from the Mullumica-Callejones source.

  9. 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.

  10. 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.

  11. Synthesis and vibrational spectroscopy of 57Fe-labeled models of [NiFe] hydrogenase: first direct observation of a nickel–iron interaction† †Electronic supplementary information (ESI) available: Experimental procedures, spectral data, computational chemistry details, animated vibrational modes as GIFs. See DOI: 10.1039/c4cc04572f Click here for additional data file. Click here for additional data file.

    PubMed Central

    Pelmenschikov, Vladimir; Wang, Hongxin; Meier, Florian; Gee, Leland B.; Yoda, Yoshitaka; Kaupp, Martin; Rauchfuss, Thomas B.

    2014-01-01

    A new route to iron carbonyls has enabled synthesis of 57Fe-labeled [NiFe] hydrogenase mimic (OC)3 57Fe(pdt)Ni(dppe). Its study by nuclear resonance vibrational spectroscopy revealed Ni–57Fe vibrations, as confirmed by calculations. The modes are absent for [(OC)3 57Fe(pdt)Ni(dppe)]+, which lacks Ni–57Fe bonding, underscoring the utility of the analyses in identifying metal–metal interactions. PMID:25237680

  12. 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.

  13. 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.

  14. 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...

  15. Synchrotron Mossbauer spectroscopy using high-speed shutters.

    SciTech Connect

    Toellner, T. S.; Alp, E. E.; Graber, T.; Henning, R. W.; Shastri, S. D.; Shenoy, G.; Sturhahn, W.

    2011-03-01

    A new method of performing Moessbauer spectroscopy with synchrotron radiation is demonstrated that involves using a high-speed periodic shutter near the focal spot of a microfocused X-ray beam. This fast microshuttering technique operates without a high-resolution monochromator and has the potential to produce much higher signal rates. It also offers orders of magnitude more suppression of unwanted electronic charge scattering. Measurement results are shown that prove the principle of the method and improvements are discussed to deliver a very pure beam of Moessbauer photons (E/{Delta}E {approx_equal} 10{sup 12}) with previously unavailable spectral brightness. Such a source will allow both Moessbauer spectroscopy in the energy domain with the many advantageous characteristics of synchrotron radiation and new opportunities for measurements using X-rays with ultra-high energy resolution.

  16. 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.

  17. Remarkable improvement of the signal-to-noise ratio of 57Mn/ 57Fe in-beam Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2011-02-01

    In-beam Mössbauer spectroscopy utilizing unstable 57Mn beams is a powerful method to extract physical and chemical properties at the atomic scale. A parallel plate avalanche counter (PPAC), optimized to detect conversion electrons generated by the Mössbauer effect, can be employed to suppress higher-energy background γ rays. However, β rays are emitted by the 57Mn parent nuclei of 57Fe, which can significantly degrade the spectrum quality. In the present work, we have developed a new anti-coincidence-detection system with a thin plastic scintillation counter (0.5 mmt), which can be used to detect β rays and reject them from the recorded PPAC events. To demonstrate the anti-coincidence system, we carried out Mössbauer spectroscopy utilizing 57Mn nuclei that were implanted into a non-magnetic aluminum metal plate at room temperature. Using the anti-coincidence method, we obtained a typical Mössbauer spectrum of high quality, despite a very low number of implanted 57Mn atoms, of ˜5 × 10 9. The signal to noise ratio of the obtained spectrum was increased remarkably, and the relative peak height above the baseline increased from 10% to 220% using the anti-coincidence method. The developed detection system is applicable to investigation of in situ properties, and avoids the potentially problematic agglomeration of probes in a sample.

  18. 57Fe-labeled octamethylferrocenium tetrafluoroborate. X-ray crystal structures of conformational isomers, hyperfine interactions, and spin-lattice relaxation by Moessbauer spectroscopy.

    PubMed

    Schottenberger, Herwig; Wurst, Klaus; Griesser, Ulrich J; Jetti, Ram K R; Laus, Gerhard; Herber, Rolfe H; Nowik, Israel

    2005-05-11

    X-ray structure determinations of two different single crystals of octamethylferrocenium tetrafluoroborate (OMFc(+)BF(4)(-)) revealed conformational polymorphism with ligand twist angles of 180 degrees and 108 degrees , respectively. Their concomitant occurrence could be explained by the small lattice energy difference of 3.2 kJ mol(-1). Temperature-dependent Moessbauer spectroscopy of (57)Fe-labeled OMFc(+)BF(4)(-) over the range 90 < T < 370 K did not show the anomalous sudden increase in the motion of the metal atom as observed in neutral OMFc. Broadened absorption curves characteristic of relaxation spectra were obtained with an isomer shift of 0.466(6) mm s(-1) at 90 K. The temperature dependence of the isomer shift corresponded to an effective vibrating mass of 79 +/- 10 Da and, in conjunction with the temperature dependence of the recoil-free fraction, to a Moessbauer lattice temperature of 89 K. The spin relaxation rate could be better described by an Orbach rather than a Raman process. At 400 K, a reversible solid-solid transition to a plastic crystalline mesophase was noted. PMID:15869302

  19. 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.

  20. The road to Fe16N2 formation in N + implanted 57Fe enriched films

    NASA Astrophysics Data System (ADS)

    Leroy, E.; Djega-Mariadassou, C.; Bernas, H.; Kaitasov, O.; Krishnan, R.; Tessier, M.

    1995-07-01

    20 keV N+ ions have been implanted on 57Fe enriched Fe films and RF deposited on glass and NaCl substrates with various fluences up to 3.0×1016 N+/cm2. Conversion electron Mossbauer spectroscopy and transmission electron microscopy measurements performed at room temperature on the as-implanted samples reveal the presence of α-Fe, α'-martensite, and ɛ-Fe3-xN phases. α″-Fe16N2 is only detected after a subsequent annealing at 220 °C; α'-martensite with a low nitrogen content appears as the precursor of α″, The additional nitrogen content needed for this process is supplied by the ɛ phase.

  1. 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.

  2. 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

  3. 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.

  4. Novel melting investigations of iron at high-pressure using synchrotron Mossbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Jackson, J. M.; Sturhahn, W.; Lerche, M.; Zhao, J.; Sinogeikin, S. V.; Lakshtanov, D. L.; Bass, J. D.; Murakami, M.

    2005-12-01

    Seismological observations show that Earth's iron-dominated core consists of a solid inner region surrounded by a liquid outer core. The melting temperature of iron at high-pressure therefore provides a bound on the temperature regime of the core. Previously, melting studies of iron metal at high-pressures were performed by shock-compression, resistive- and laser-heating in diamond anvil cells using visual observations or synchrotron x-ray diffraction, and theoretical methods. However, the melting curve of iron is still controversial, especially at very high pressures. Here we present a novel method of detecting the solid-liquid phase boundary of iron at high-pressure using 57Fe synchrotron Mössbauer spectroscopy (SMS). Focused synchrotron radiation with 1 meV bandwidth passes through a laser-heated sample inside a diamond anvil cell. The characteristic SMS time signature is observed by fast detectors and vanishes suddenly when melting occurs. This process is described by the Lamb-Mössbauer factor f = exp(-k2), where k is the wave number of the resonant x-rays and is the mean-square displacement of the iron atoms. We will discuss our melting results in comparison with previous data and also discuss future applications of this method to the study of melting of Earth materials under pressure. In addition to the detection of melt, the Lamb-Mössbauer factor is related to the phonon density of states (PDOS) of the material investigated. Results thus far indicate that the phonon density of states of fcc-structured iron softens with increasing temperature at high-pressure. We propose that the softening of the PDOS is related to a reduction of the shear modulus. This behavior that occurs at high-pressure near the melting point of iron should be considered when extrapolating the behavior of iron to the outermost inner core conditions.

  5. Metal valences in electron-doped (Sr,La){sub 2}FeTaO{sub 6} double perovskite: A {sup 57}Fe Moessbauer spectroscopy study

    SciTech Connect

    Rautama, E.-L.; Linden, J.; Yamauchi, H.; Karppinen, M.

    2007-02-15

    Substitution of divalent Sr by trivalent La is found to affect the valence states of both of the two B-site cations, Fe and Ta, in the double perovskite oxide (Sr{sub 1-} {sub x} La {sub x} ){sub 2}FeTaO{sub 6}. Moreover, it improves the degree of order of these cations. From {sup 57}Fe Moessbauer spectra the average Fe valence was found to decrease with increasing La substitution level, x. However, the valence of Fe decreased less than expected if the valence of Ta was assumed to remain constant. Hence, we conclude that also the valence of Ta decreases. - Graphical abstract: Both the degree of order and the valence states of Fe and Ta are controlled in the (Sr{sub 1-} {sub x} La {sub x} ){sub 2}FeTaO{sub 6} double perovskite oxide through aliovalent La{sup III}-for-Sr{sup II} substitution.

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

    DOE PAGESBeta

    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

  7. 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.

  8. 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.

  9. The 57Fe hyperfine interactions in the iron bearing phases in different fragments of Chelyabinsk LL5 meteorite: a comparative study using Mössbauer spectroscopy with a high velocity resolution

    NASA Astrophysics Data System (ADS)

    Maksimova, A. A.; Oshtrakh, M. I.; Petrova, E. V.; Grokhovsky, V. I.; Semionkin, V. A.

    2015-04-01

    A comparative study of the 57Fe hyperfine interactions in iron bearing phases of Chelyabinsk LL5 ordinary chondrite fragments with different lithology was carried out using Mössbauer spectroscopy with a high velocity resolution. The obtained values of hyperfine parameters for the same iron bearing phases in different fragments demonstrated small variations. These differences were related to small variations in the Fe local microenvironments in both M1 and M2 sites in olivine and pyroxene, to deviation from stoichiometry in troilite with increase in Fe vacancies and to differences in Ni concentrations in α-Fe(Ni, Co) and γ-Fe(Ni, Co) phases in the metal grains. The obtained differences may indicate a breccia structure of Chelyabinsk LL5 ordinary chondrite.

  10. Evaluation of fine-particle catalysts: Activity testing results and phase identification using Mossbauer spectroscopy

    SciTech Connect

    Stohl, F.V.; Diegert, K.V.; Goodnow, D.; Rao, K.R.P.M.; Huggins, F.; Huffman, G.P.

    1994-10-01

    To evaluate and compare the activities/selectivities of fine- particle size catalysts being developed in the DOE/PETC Advanced Research (AR) Coal Liquefaction program by using standard coal liquefaction activity test procedures. Previously reported results have described the standard test procedure that was developed at Sandia to evaluate fine-particle size iron catalysts being developed in DOE/PETC`s AR Coal Liquefaction Program. This test uses DECS-17 Blind Canyon Coal, phenanthrene as the reaction solvent, and a factorial experimental design that enables evaluation of a catalyst over ranges of temperature (350 to 400{degrees}C), time (20 to 60 minutes), and catalyst loading (0 to 1 wt% on a dmmf coal basis). Testing has been performed on Pacific Northwest Laboratories` (PNL) 6-line ferrihydrite catalyst. Results showed that this catalyst is more active than the University of Pittsburgh`s sulfated iron oxide catalyst that was evaluated previously. PNL has also produced two additional batches of catalyst in an effort to optimize their preparation procedures for larger batches. Sandia has observed significant differences in activities among these three catalysts; these differences might be due to particle size effects, the type of drying procedure, or the amount of moisture present. Mossbauer characterization of the iron phases in the coal, catalyst precursors, and tetrahydrofuran (THF) insoluble material from liquefaction reactions has been performed on the University of Pittsburgh`s catalyst and the first PNL catalyst that was tested at Sandia. The Mossbauer results were obtained at the University of Kentucky and will be presented. Future work will include testing additional catalysts being developed in the AR Coal Liquefaction Program, developing procedures to characterize reaction products, and determining the kinetics of the reactions.

  11. Phase evolution in {sup 57}Fe/Al multilayers studied through dc magnetization, conversion electron Moessbauer spectroscopy, and transmission electron microscopy

    SciTech Connect

    Jani, Snehal; Lakshmi, N.; Venugopalan, K.; Sebastian, Varkey; Reddy, V. R.; Gupta, Ajay; Lalla, N. P.

    2008-12-15

    Fe/Al multilayer thin films with an overall atomic concentration ratio of Fe:Al=1:2 have been prepared by ion-beam sputtering. Phase formation and microstructural evolution with thermal annealing have been studied by x-ray reflectivity, cross-sectional transmission electron microscopy, dc magnetization, and conversion electron Moessbauer spectroscopy. These studies show that although the starting composition is Al rich, the intermixing of Fe and Al at the interfaces leads to the formation of a magnetic Fe{sub 3}Al-like region at the interface. Thus, the magnetic contribution in the as-deposited multilayer structure (MLS) is not only from pure Fe but also from an Fe{sub 3}Al-like region formed at the interface. On annealing the MLS, a stable nonmagnetic MLS consisting of intermetallic B2Fe{sub 50}Al{sub 50} separated by thin Al layers is formed. Further annealing only induces better ordering of Fe{sub 50}Al{sub 50} and does not destroy the MLS.

  12. 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

  13. [Application of Mossbauer spectroscopy to the study of hemoglobinopathies. Preliminary experience].

    PubMed

    Abreu, M S; Sanchís, M E; Peñalver, J A; Kanter, F

    1989-10-01

    37Fe Moessbauer spectroscopy has been applied to the study of iron deposits in patients with altered iron metabolism. Haematological parameters were also studied in order to analyse their relationship with Moessbauer results. Within the aim of this research, 12 samples of packed red blood cells were analysed: 6 with beta-thalassaemia major, 2 with S-beta-thalassaemia, 1 with sickle cell anaemia and 3 from normal subjects used as control for Moessbauer spectroscopy. Moessbauer spectra of 6 red blood cells samples showed that besides the two components, i.e., oxy and deoxy haemoglobin present in samples of normal subjects, appears a third component with Moessbauer parameters corresponding to ferritin-like iron. Correlation of % transferrin saturation (TS %) with ferritin-like iron (r = 0.90, p less than 0.05) as well as between TS % and the ratio ferritin-like iron/Hb iron (r = 0.91, p less than 0.05) was found. A tendency to correlation of serum ferritin (SF) with ferritin-like iron (r = 0.90, p less than 0.05) as well as between TS % and the ratio ferritin-like iron/Hb iron (r = 0.91, p less than 0.05) was found. A tendency to correlation of SF with ferritin-like iron (r = 0.78) and with the ratio ferritin-like iron/Hb iron, was also observed. It can be concluded that Moessbauer spectroscopy could be a useful technique in the study of this kind of pathology. PMID:2617381

  14. 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.

  15. 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 ° .

  16. 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.

  17. 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.

  18. 57Fe Mössbauer study of Lu2Fe3Si5 iron silicide superconductor

    DOE PAGESBeta

    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

  19. Mossbauer spectrometer radiation detector

    NASA Technical Reports Server (NTRS)

    Singh, J. J. (Inventor)

    1973-01-01

    A Mossbauer spectrometer with high efficiencies in both transmission and backscattering techniques is described. The device contains a sodium iodide crystal for detecting radiation caused by the Mossbauer effect, and two photomultipliers to collect the radiation detected by the crystal. When used in the transmission technique, the sample or scatterer is placed between the incident radiation source and the detector. When used in a backscattering technique, the detector is placed between the incident radiation source and the sample of scatterer such that the incident radiation will pass through a hole in the crystal and strike the sample. Diagrams of the instrument are provided.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 57Fe Mössbauer study of Lu2Fe3Si5 iron silicide superconductor

    DOE PAGESBeta

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

    2015-03-28

    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). Furthermore, 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. 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. As a result, neither abnormal behavior of the hyperfine parameters at or near Tc, nor phonon softening were observed.« less

  6. 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.

  7. Mössbauer spectroscopy monitoring the spin transition of a FeII 1D chain with a fluorinated 4-R-1,2,4-triazole

    NASA Astrophysics Data System (ADS)

    Railliet, Antoine P.; Naik, Anil D.; Rotaru, Aurelian; Garcia, Yann

    2014-04-01

    The spin transition properties of [Fe(fletrz)3](BF4)2•2H2O are described. Fletrz (4-(2'-fluoroethyl)-4H-1,2,4-triazole) is a novel fluorine substituted 1,2,4-triazole ligand which forms 1D chain upon self-assembly with FeII ions. This coordination polymer exhibits reversible abrupt thermochromic spin transition that has been probed by SQUID magnetometry, variable temperature 57Fe Mossbauer spectroscopy (77-300 K) and differential scanning calorimetry (100-300 K).

  8. 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.

  9. 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.

  10. 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.

  11. The electronic structure of the H-cluster in the [FeFe]-hydrogenase from Desulfovibrio desulfuricans: a Q-band 57Fe-ENDOR and HYSCORE study.

    PubMed

    Silakov, Alexey; Reijerse, Eduard J; Albracht, Simon P J; Hatchikian, E Claude; Lubitz, Wolfgang

    2007-09-19

    The active site of the (57)Fe-enriched [FeFe]-hydrogenase (i.e., the "H-cluster") from Desulfovibrio desulfuricans has been examined using advanced pulse EPR methods at X- and Q-band frequencies. For both the active oxidized state (H(ox)) and the CO inhibited form (H(ox)-CO) all six (57)Fe hyperfine couplings were detected. The analysis shows that the apparent spin density extends over the whole H-cluster. The investigations revealed different hyperfine couplings of all six (57)Fe nuclei in the H-cluster of the H(ox)-CO state. Four large 57Fe hyperfine couplings in the range 20-40 MHz were found (using pulse ENDOR and TRIPLE methods) and were assigned to the [4Fe-4S](H) (cubane) subcluster. Two weak (57)Fe hyperfine couplings below 5 MHz were identified using Q-band HYSCORE spectroscopy and were assigned to the [2Fe](H) subcluster. For the H(ox) state only two different 57Fe hyperfine couplings in the range 10-13 MHz were detected using pulse ENDOR. An (57)Fe line broadening analysis of the X-band CW EPR spectrum indicated, however, that all six (57)Fe nuclei in the H-cluster are contributing to the hyperfine pattern. It is concluded that in both states the binuclear subcluster [2Fe](H) assumes a [Fe(I)Fe(II)] redox configuration where the paramagnetic Fe(I) atom is attached to the [4Fe-4S](H) subcluster. The (57)Fe hyperfine interactions of the formally diamagnetic [4Fe-4S](H) are due to an exchange interaction between the two subclusters as has been discussed earlier by Popescu and Münck [Popescu, C.V.; Münck, E., J. Am. Chem. Soc. 1999, 121, 7877-7884]. This exchange coupling is strongly enhanced by binding of the extrinsic CO ligand. Binding of the dihydrogen substrate may induce a similar effect, and it is therefore proposed that the observed modulation of the electronic structure by the changing ligand surrounding plays an important role in the catalytic mechanism of [FeFe]-hydrogenase. PMID:17722921

  12. The 57Fe Synchrotron Mössbauer Source at the ESRF.

    PubMed

    Potapkin, Vasily; Chumakov, Aleksandr I; Smirnov, Gennadii V; Celse, Jean Philippe; Rüffer, Rudolf; McCammon, Catherine; Dubrovinsky, Leonid

    2012-07-01

    The design of a (57)Fe Synchrotron Mössbauer Source (SMS) for energy-domain Mössbauer spectroscopy using synchrotron radiation at the Nuclear Resonance beamline (ID18) at the European Synchrotron Radiation Facility is described. The SMS is based on a nuclear resonant monochromator employing pure nuclear reflections of an iron borate ((57)FeBO(3)) crystal. The source provides (57)Fe resonant radiation at 14.4 keV within a bandwidth of 15 neV which is tunable in energy over a range of about ±0.6 µeV. In contrast to radioactive sources, the beam of γ-radiation emitted by the SMS is almost fully resonant and fully polarized, has high brilliance and can be focused to a 10 µm × 5 µm spot size. Applications include, among others, the study of very small samples under extreme conditions, for example at ultrahigh pressure or combined high pressure and high temperature, and thin films under ultrahigh vacuum. The small cross section of the beam and its high intensity allow for rapid collection of Mössbauer data. For example, the measuring time of a spectrum for a sample in a diamond anvil cell at ∼100 GPa is around 10 min, whereas such an experiment with a radioactive point source would take more than one week and the data quality would be considerably less. The SMS is optimized for highest intensity and best energy resolution, which is achieved by collimation of the incident synchrotron radiation beam and thus illumination of the high-quality iron borate crystal within a narrow angular range around an optimal position of the rocking curve. The SMS is permanently located in an optics hutch and is operational immediately after moving it into the incident beam. The SMS is an in-line monochromator, i.e. the beam emitted by the SMS is directed almost exactly along the incident synchrotron radiation beam. Thus, the SMS can be easily utilized with all existing sample environments in the experimental hutches of the beamline. Owing to a very strong

  13. 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.

  14. Effects of Variable Temperature on Mossbauer Data Acquisition: Laboratory-based and MER A Results

    NASA Technical Reports Server (NTRS)

    Rothstein, Y.; Sklute, E. C.; Dyar, M. D.; Schaefer, M. W.

    2005-01-01

    Mossbauer spectrometers on the Spirit and Opportunity rovers have played a valuable role in identifying mineralogy at both the Gusev and Meridiani landing sites. Key to the application of Mossbauer results is the issue of how accurately the peak positions, on which the mineral identifications are based, can be determined. Remote Mossbauer spectroscopy has by necessity some unusual experimental constraints that may influence the confidence with which peak positions can be fit. We present here an analysis of the effects of variable temperature and short duration run times on spectral resolution.

  15. A 57Fe Mössbauer characterization of Fe-biopolymer complexes and their relevance to biological molecules

    NASA Astrophysics Data System (ADS)

    Bhatia, Subhash C.; Cardelino, Beatriz H.; Ravi, Natarajan

    2005-09-01

    57Fe Mössbauer spectroscopy is used to study the interactions, geometry, and the coordination characteristics of the Fe-complexes of biopolymers such as chitosan, glucosamine, and chondritin sulfate. In addition, a computational effort is undertaken for predicting the geometries and energies of the metal complexes by the Density Functional Theory (DFT) methods as implemented in the Gaussian 2003 quantum mechanical program. Both experimental and computational results suggest that the structure of the metal complexes resemble closely the structure of the active sites of metalloenzymes in 2+ or 3+ oxidation states and is at least tetracoordinated and can possibly have six ligands.

  16. Search for resonant absorption of solar axions emitted in M1 transition in 57Fe nuclei

    NASA Astrophysics Data System (ADS)

    Derbin, A. V.; Egorov, A. I.; Mitropol'Sky, I. A.; Muratova, V. N.; Semenov, D. A.; Unzhakov, E. V.

    2009-08-01

    A search for resonant absorption of 14.4 keV solar axions by a 57Fe target was performed. The Si(Li) detector placed inside the low-background setup was used to detect the γ-quanta appearing in the deexcitation of the 14.4 keV nuclear level: A+57Fe→57Fe*→57Fe+ γ. The new upper limit for the hadronic axion mass has been obtained of m A ≤159 eV (95% c.l.) ( S=0.5, z=0.56).

  17. 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.

  18. 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.

  19. Electric field gradient at 57Fe in scandium and systematics of the electric field gradient at impurities in transition-metal hosts

    NASA Astrophysics Data System (ADS)

    Nair, N. V.; Nair, K. Vijayakumaran

    1986-05-01

    The electric field gradient (EFG) at 57Fe probe atoms in hcp transition-metal scandium is measured using Mössbauer spectroscopy, with 57Fe as a dilute impurity in pure scandium metal. The quadrupole splitting obtained is 0.26(2) mm/s and the corresponding EFG is 1.3(1)×1017 V/cm2 at the probe site in scandium. The ratio eqel/eqion is in fairly good agreement with the universal correlation proposed by Raghavan et al. The results are compared with the theoretical value of the EFG calculated using the conduction-electron charge-shift model. Also, a systematic scheme, which can be used to determine eqel and the sign of EFG in transition-metal hosts, is proposed.

  20. 57Fe-Mössbauer study of electrically conducting barium iron vanadate glass after heat treatment

    NASA Astrophysics Data System (ADS)

    Kubuki, Shiro; Sakka, Hiroshi; Tsuge, Kanako; Homonnay, Zoltán; Sinkó, Katalin; Kuzmann, Ernő; Yasumitsu, Hiroki; Nishida, Tetsuaki

    2008-07-01

    Local structure and thermal durability of semiconducting xBaO·(90 - x)V2O5 · 10Fe2O3 glasses ( x = 20, 30 and 40), NTA glass TM, before and after isothermal annealing were investigated by 57Fe-Mössbauer spectroscopy and differential thermal analysis (DTA). An identical isomer shift (mathit{δ}) of 0.39 ± 0.01 mm s - 1 and a systematic increase in the quadrupole splitting ( Δ) were observed from 0.70 ± 0.02 to 0.80 ± 0.02 mm s - 1 with an increasing BaO content, showing an increase in the local distortion of FeIIIO4 tetrahedra. From the slope of the straight line in the T g Δ plot of NTA glass TM, it proved that FeIII plays a role of network former. Large Debye temperature ( Θ D) values of 1000 and 486 K were respectively obtained for 20BaO · 70V2O5 · 10Fe2O3 glass before and after isothermal annealing at 400°C for 60 min, respectively. This result also suggests that FeIII atoms constitute the glass network composed of tetrahedral FeO4, tetrahedral VO4 and pyramidal VO5 units. The electric conductivity of 20BaO · 70V2O5 · 10Fe2O3 glass increased from 1.6 × 10 - 5 to 5.8 × 10 - 2 S cm - 1 after isothermal annealing at 450°C for 2,000 min. These results suggest that the drastic increase in the electric conductivity caused by heat treatment is closely related to the structural relaxation of the glass network structure.

  1. 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.

  2. 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

  3. 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

  4. Specific features of magnetic states of impurity iron ions in the perovskite La0.75Sr0.25Co0.98 57Fe0.02O3

    NASA Astrophysics Data System (ADS)

    Pokatilov, V. S.; Rusakov, V. S.; Makarova, A. O.; Pokatilov, V. V.; Matsnev, M. E.

    2016-02-01

    Single-phase polycrystalline La0.75Sr0.25Co0.98 57Fe0.02O3 samples have been prepared by solidstate ceramic technology. The samples have the rhombohedral structure (space group Rbar 3c). The studies of perovskite La0.75Sr0.25Co0.98 57Fe0.02O3 by Mössbauer spectroscopy on impurity 57Fe nuclei in the temperature range of 5-293 K have revealed the existence of a superparamagnetic relaxation in the temperature range of 100-210 K. The parameters of hyperfine interactions (hyperfine magnetic fields, line shifts, and quadrupole shifts) and the anisotropy energy have been measured, and the frequencies of magnetic moment relaxation of iron ions have been estimated.

  5. Equilibrium Iron Isotope Fractionation Factors of Minerals: Reevaluation from the Data of Nuclear Inelastic Resonant X-ray Scattering and Mossbauer Spectroscopy

    SciTech Connect

    Polyakov, Dr. V. B.; Clayton, R. N.; Horita, Juske; Mineev, S. D.

    2007-01-01

    We have critically reevaluated equilibrium iron isotope fractionation factors for oxide and sulfide minerals using recently acquired data obtained by Moessbauer spectroscopy and inelastic nuclear resonant X-ray scattering (INRXS) synchrotron radiation. Good agreement was observed in the iron {beta}-factors of metallic iron ({alpha}-Fe) and hematite calculated using both Moessbauer- and INRXS-derived data, which supports the validity and reliability of the calculations. Based on this excellent agreement, we suggest the use of the present data on the iron {beta}-factors of hematite as a reference. The previous Moessbauer-derived iron {beta}-factor for magnetite has been modified significantly based on the Fe-sublattice density of states obtained from the INRXS experiments. This resolves the disagreement between naturally observed iron isotope fractionation factors for mineral pairs involving magnetite and those obtained from the calculated {beta}-factors. The correctness of iron {beta}-factor for pyrite has been corroborated by the good agreement with experimental data of sulfur isotope geothermometers of pyrite-galena and pyrite-sphalerite. A good correlation between the potential energy of the cation site, the oxidation state of iron and the iron {beta}-factor value has been established. Specifically, ferric compounds, which have a higher potential energy of iron than ferrous compounds, have higher {beta}-factors. A similar dependence of b-factors on the oxidation state and potential energy could be extended to other transition metals. Extremely low values of INRXS-derived iron {beta}-factors for troilite and Fe{sub 3}S significantly widen the range of iron b-factors for covalently bonded compounds.

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

    DOE PAGESBeta

    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

  7. 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

  8. Vibration DOS of 57Fe and Zn doped rutile Sn(Sb) oxides

    NASA Astrophysics Data System (ADS)

    Nomura, Kiyoshi; Rykov, Alexandre; Németh, Zoltán; Yoda, Yoshitaka

    2012-03-01

    Sn oxides co-doped with Zn, Sb and 57Fe were prepared by sol-gel method, and especially the doping effect of non-magnetic Zn ions was studied. The bulk saturation magnetization is in accordance with the intensity of the magnetic component in Mössbauer spectra. The nuclear inelastic scattering (NIS) spectra of these compounds were measured in SPring 8. The vibration density of states (VDOS) of 57Fe doped Sn(Sb) oxides showed that the softening peaks around 15-20 meV appeared by doping less than 10% Zn ions. The clusters of non-magnetic ZnFe2O4 may be most probably formed under the limit of XRD detections. The results suggest that the strengthening of ferromagnetism, which appears in the dilute Zn doping, may occur due to the spin arrangement of dilute Fe3 + through magnetic defects rather than the formation of magnetic iron oxides.

  9. Level Densities and Radiative Strength Functions in 56FE and 57FE

    SciTech Connect

    Tavukcu, E

    2002-12-10

    Understanding nuclear level densities and radiative strength functions is important for pure and applied nuclear physics. Recently, the Oslo Cyclotron Group has developed an experimental method to extract level densities and radiative strength functions simultaneously from the primary {gamma} rays after a light-ion reaction. A primary {gamma}-ray spectrum represents the {gamma}-decay probability distribution. The Oslo method is based on the Axel-Brink hypothesis, according to which the primary {gamma}-ray spectrum is proportional to the product of the level density at the final energy and the radiative strength function. The level density and the radiative strength function are fit to the experimental primary {gamma}-ray spectra, and then normalized to known data. The method works well for heavy nuclei. The present measurements extend the Oslo method to the lighter mass nuclei {sup 56}Fe and {sup 57}Fe. The experimental level densities in {sup 56}Fe and {sup 57}Fe reveal step structure. This step structure is a signature for nucleon pair breaking. The predicted pairing gap parameter is in good agreement with the step corresponding to the first pair breaking. Thermodynamic quantities for {sup 56}Fe and {sup 57}Fe are derived within the microcanonical and canonical ensembles using the experimental level densities. Energy-temperature relations are considered using caloric curves and probability density functions. The differences between the thermodynamics of small and large systems are emphasized. The experimental heat capacities are compared with the recent theoretical calculations obtained in the Shell Model Monte Carlo method. Radiative strength functions in {sup 56}Fe and {sup 57}Fe have surprisingly high values at low {gamma}-ray energies. This behavior has not been observed for heavy nuclei, but has been observed in other light- and medium-mass nuclei. The origin of this low {gamma}-ray energy effect remains unknown.

  10. Structural, electrical, magnetic and 57Fe Mössbauer study of polycrystalline multiferroic DyFeO3

    NASA Astrophysics Data System (ADS)

    Reddy, S. Shravan Kumar; Raju, N.; Reddy, Ch. Gopal; Reddy, P. Yadagiri; Reddy, K. Rama; Reddy, V. Raghavendra

    2015-12-01

    Structural, Raman spectroscopy, leakage current density, temperature dependent magnetization and Mössbauer measurements of polycrystalline DyFeO3 (DFO) prepared through sol-gel route are reported in this paper. Phase purity and structure of the prepared sample is confirmed from x-ray diffraction and Raman spectroscopy measurements. The room temperature leakage current density (J-E) measurements indicate that Ohmic contribution and space charge limited conduction are the dominating mechanisms at low and high applied electric fields respectively. Signatures of Fe3+ spin reorientation transition (TSR) and the antiferromagnetic ordering of Dy3+ ions are observed from the temperature dependent (10-350 K) magnetization data. The M-H data measured at 2 K shows the field induced metamagnetic transition. Internal hyperfine field obtained from temperature dependent (5-300 K) 57Fe Mössbauer measurements is observed to decrease below the TSR and further found to increase till 5 K indicating the contribution of Dy3+ magnetic ordering on the hyperfine field of Fe nucleus.

  11. 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.

  12. 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. PMID:12433425

  13. 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.

  14. 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.

  15. 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.

  16. Multiple superhyperfine fields in a {DyFe2Dy} coordination cluster revealed using bulk susceptibility and (57)Fe Mössbauer studies.

    PubMed

    Peng, Yan; Mereacre, Valeriu; Anson, Christopher E; Powell, Annie K

    2016-08-01

    A [DyFeDy(μ3-OH)2(pmide)2(p-Me-PhCO2)6] coordination cluster, where pmideH2 = N-(2-pyridylmethyl)iminodiethanol, has been synthesized and the magnetic properties studied. The dc magnetic measurements reveal dominant antiferromagnetic interactions between the metal centres. The ac measurements reveal zero-field quantum tunnelling of the magnetisation (QTM) which can be understood, but not adequately modelled, in terms of at least three relaxation processes when appropriate static (dc) fields are applied. To investigate this further, (57)Fe Mössbauer spectroscopy was used and well-resolved nuclear hyperfine structures could be observed, showing that on the Mössbauer time scale, without applied field or else with very small applied fields, the iron nuclei experience three or more superhyperfine fields arising from the slow magnetisation reversal of the strongly polarized fields of the Dy(III) ions. PMID:27424877

  17. 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.

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

    DOE PAGESBeta

    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

  19. 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.

  20. New limit on the mass of 14.4-keV solar axions emitted in an M1 transition in 57Fe nuclei

    NASA Astrophysics Data System (ADS)

    Derbin, A. V.; Muratova, V. N.; Semenov, D. A.; Unzhakov, E. V.

    2011-04-01

    Axions of energy 14.4 keV that originated from the M1 transition in 57Fe nuclei in the Sun were sought by using the resonance-absorption reaction A+57Fe57Fe* → 57Fe+ γ (14.4 keV). Asectioned Si(Li) detector arranged in a low-background facility was used to record photons from this reaction. This resulted in setting a new limit on the axion couplings to nucleons, |-1.19 g {/AN 0} + g {/AN 3}| ≤ 3.0×10-6. Within the hadronic-axion model, the respective constraint on the axion mass is m A ≤ 145 eV (at a 95% C.L.).

  1. Neutron Cross section Covariances in the Resonance region: 50,53Cr, 54,57Fe and 60Ni

    SciTech Connect

    Oblozinsky, P.; Cho,Y.-S.; Mattoon,C.M.; Mughabghab,S.F.

    2010-11-23

    We evaluated covariances in the neutron resonance region for capture and elastic scattering cross sections on minor structural materials, {sup 50,53}Cr, {sup 54,57}Fe and {sup 60}Ni. Use was made of the recently developed covariance formalism based on kernel approximation along with data in the Atlas of Neutron Resonances. Our results of most interest for advanced fuel cycle applications, elastic scattering cross section uncertainties at energies around 100 keV, are on the level of about 7-10%.

  2. 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}.

  3. 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. PMID:25554878

  4. 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.

  5. Optical (diffuse reflectance) and Mossbauer spectroscopic study of nontronite and related Fe-bearing smectites

    USGS Publications Warehouse

    Sherman, David M.; Vergo, N.

    1988-01-01

    Near-ultraviolet to near-infrared optical (diffuse reflectance) spectra of several nontronites and related Fe-bearing smectites [(Fe2+,Fe3+)-bearing saponite and (Fe2+,Fe3+)-bearing montmorillonite] are presented and interpreted. Mossbauer spectra at 298 K are also presented to help interpret the optical spectra. The optical spectra of nontronites are dominated by the ligand field transitions of Fe3+ in octahedral coordination sites. In addition to the ligand field transitions of single Fe3+ cations, a broad absorption band centered near 22000 cm-1 is observed that may be due to the simultaneous excitation of two Fe3+ cations to the 4T1g (4G) state. Alternatively, this band may represent excitations to the 2A2g and 2T1g ligand field states. For most samples, the amount of tetrahedrally coordinated Fe3+ was below that detectable by Mossbauer spectroscopy (1-3% of total Fe). However, the optical spectra of all of the nontronites show an absorption band near 23000 cm-1. This band is assigned to the 6A1 ??? 4E,4A1 transition of tetrahedrally coordinated Fe3+. The optical spectra of mixed-valence Fe-bearing smectites show a broad absorption band at 14000-15000 cm-1 owing to Fe2+ ??? Fe3+ charge transfer. -from Authors

  6. The influence of particle size and structure on the Mossbauer spectra of iron carbides formed during Fischer-Tropsch synthesis

    SciTech Connect

    Gatte, R.R.; Phillips, J.

    1986-01-01

    Characterization of the active and stable phase of iron-based Fischer-Tropsch catalysts has been a topic of investigation for several years. Yet, a great deal of controversy still surrounds the identity of the phase(s) present during synthesis. This stems from the fact that neither X-ray nor Mossbauer studies have proven capable of unambiguously characterizing the metastable carbides formed. Investigations of the metastable, octahedral carbides (as they have been termed) have been going on for many years, dating back to at least 1949. The iron structure has been assigned as HCP (or 'nearly' HCP) with the carbon atoms occupying the octahedral holes. The most notable of these are the epsilon and epsilon' carbides. X-ray results have, however, been rather unsatisfactory for many reasons. For instance, the commercial catalysts studied contained many metallic additives and in most cases the small crystallite sizes gave rise to broad, poorly resolved lines. In recent years, emphasis has shifted toward the use of Mossbauer spectroscopy for in-situ studies of the carburization behavior. It is shown that if spectra are collected for a single sample over a range of temperatures, and if relaxation effects are properly accounted for, the Mossbauer results can give not only accurate identification of the phase(s) present but also quantitative particle size information and qualitative information regarding particle structure and the nature of particle/support interaction.

  7. Mossbauer Spectra of Weathered H5 Ordinary Chondrites from Reg EL Acfer, Algeria

    NASA Astrophysics Data System (ADS)

    Berry, F.; Oates, G.; Bland, P.; Pillinger, C. T.

    1992-07-01

    Approximately 380 meteorite specimens have been retrieved from the Acfer region of the Sahara desert, Algeria. To date, 26 of these have been classified H5 (Bischoff et al., 1990, 1991, 1992). Being the most common meteorite type and having a tightly constrained mineralogy (Mason, 1965), H5 chondrites are ideal candidates for investigating terrestrial weathering products in meteorites. Arid climate, uniform topography, and lack of a concentration/movement mechanism makes it likely that meteorites throughout Reg el Acfer were weathered by a common mechanism. Jull et al. (1991) showed a correlation in meteorites from Roosevelt County between terrestrial ^14C ages and a qualitative weathering scale. An aim of the present study is to provide a quantitative measure of weathering for the Acfer region that might allow an estimate of terrestrial age, as well as information on pairing. Meteorite Specimens: Approximately 1 g of sample was used, prepared by grinding under acetone to prevent oxidation during crushing, until a homogenized powder was produced. Mossbauer spectra were recorded at 298 degrees K with a microprocessor controlled Mossbauer spectrometer using a ^57Co/Rh source. Drive velocity was calibrated with the same source and a metallic iron foil. Results: The H5 chondrite Acfer 146 (Bischoff, forthcoming Meteoritical Bulletin) was found on 19/11/90 at coordinates 27 degrees 38'N, 4 degrees 05'E. This meteorite gave a spectrum dominated by quadrupole split absorption characteristics of Fe^2+ in a forsteritic olivine structure. A sample of the outer crust showed the additional presence of Fe^3+. XRD was insensitive to the unequivocal identification of the phases present in the two samples and given that the Mossbauer parameters of the hydrolyzed Fe^3+ species and ferric oxyhydroxides are very similar it is not possible at this stage to identify the oxidized phase. Clearly, however, the results demonstrate the sensitivity of Mossbauer spectroscopy to the products

  8. {sup 57}Fe and {sup 119}Sn Moessbauer Effect Study of Fe-Sn-B Amorphous Alloys

    SciTech Connect

    Miglierini, M.; Rusakov, V. S.

    2010-07-13

    Ribbons of Fe{sub 100-x}Sn{sub 5}B{sub x} (x = 15, 17, 20) metallic glass are studied using {sup 57}Fe and {sup 119}Sn Moessbauer spectrometry. The obtained Moessbauer spectra are evaluated by distributions of hyperfine magnetic fields in addition to crystalline components. The as-quenched alloys are XRD amorphous for x =15 and 17 whereas for x =20, traces of quenched-in crystallites are revealed. Progress of crystallization is followed on samples annealed for 30 min at temperatures that cover the first crystallization peak. The evolution of crystalline fraction as well as average values of hyperfine magnetic fields and isomer shifts are discussed as a function of the alloy composition and temperature of annealing.

  9. 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

  10. 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}.

  11. 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).

  12. 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.

  13. 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.

  14. 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.

  15. 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. PMID:25079128

  16. Structural and 57Fe Mössbauer study of EuCr1 - x Fe x O3 nanocrystalline particles

    NASA Astrophysics Data System (ADS)

    Widatallah, H. M.; Al-Shahumi, T. M. H.; Gismelseed, A. M.; Klencsár, Z.; Al-Rawas, A. D.; Al-Omari, I. A.; Elzain, M. E.; Yousif, A. A.; Pekala, M.

    2012-03-01

    A structural and Mössbauer study of mechanosynthesized EuCr1 - xFexO3 nanocrystalline particles (˜20-30 nm) is presented. The lattice parameters increase with increasing x-value leading to an increasingly distorted structure. The crystallite sizes range between 20 nm and 30 nm. Magnetic and 57Fe Mössbauer measurements show the samples with x < 0.7 to be paramagnetic and those with x ≥ 0.7 to be partially superparamagnetic at 298 K. The 78 K Mössbauer spectra of the samples with x = 0.3-1.0 are composed of well-resolved two sextets that are explicable in terms of the structural model that we recently have proposed for the EuCrO3 nanoparticles according to which the transition metal ions and Eu3 + partly exchange their usual sites in the perovskite-related structure (Widatallah et al. J Phys D Appl Phys 44:265403, 2011). Consequently, the two sextets obtained at 78 K refer to Fe3 + ions at the usual B-octahedral site and the A-dodecahedral site usually occupied by Eu3 + .

  17. Phenomenological simulation and density functional theory prediction of 57 Fe Mössbauer parameters: application to magnetically coupled diiron proteins

    NASA Astrophysics Data System (ADS)

    Rodriguez, Jorge H.

    2013-04-01

    The use of phenomenological spin Hamiltonians and of spin density functional theory for the analysis and interpretation of Mössbauer spectra of antiferromagnetic or ferromagnetic diiron centers is briefly discussed. The spectroscopic parameters of the hydroxylase component of methane monooxygenase (MMOH), an enzyme that catalyzes the conversion of methane to methanol, have been studied. In its reduced diferrous state (MMOH Red ) the enzyme displays 57Fe Mössbauer and EPR parameters characteristic of two ferromagnetically coupled high spin ferrous ions. However, Mössbauer spectra recorded for MMOH Red from two different bacteria, Methylococcus capsulatus (Bath) and Methylosinus trichosporium OB3b, display slightly different electric quadrupole splittings (Δ E Q ) in apparent contradiction to their essentially identical active site crystallographic structures and biochemical functions. Herein, the Mössbauer spectral parameters of MMOH Red have been predicted and studied via spin density functional theory. The somewhat different Δ E Q recorded for the two bacteria have been traced to the relative position of an essentially unbound water molecule within their diiron active sites. It is shown that the presence or absence of the unbound water molecule mainly affects the electric field gradient at only one iron ion of the binuclear active sites.

  18. Mössbauer spectra and electric properties of 57Fe-enriched BiFeO3 thin films

    NASA Astrophysics Data System (ADS)

    Tanaka, Kiyotaka; Fujita, Yuya; Okamura, Soichiro; Yoshida, Yutaka

    2014-09-01

    57Fe-enriched BiFeO3 (BFO) thin films are fabricated on Pt/Ti/SiO2/Si substrates from a stoichiometric precursor solution by chemical solution deposition process. The microstructure of the thin films is controlled by a changing the sintering time at 550 °C. The polycrystalline thin film fabricated at 550 °C for 5 min shows well-saturated polarization-electric field (P-E) hysteresis loops and the remnant polarization Pr and coercive field Ec at room temperature are 52 µC/cm2 and 365 kV/cm, respectively, at an applied electric field of 1200 kV/cm. The Mössbauer spectra show that the BFO thin film has the valence state of Fe3+ only, consisting of antiferromagnetic and paramagnetic components. The paramagnetic component with an area fraction from 11 to 18%, which is not amorphous or Bi2Fe4O9, seems to distribute in the surface shell of the grains and the grain boundaries. This component must strongly influence the ferroelectric properties at room temperature.

  19. Search for 14.4 keV solar axions from M1 transition of 57Fe with CUORE crystals

    NASA Astrophysics Data System (ADS)

    CUORE Collaboration

    2013-05-01

    We report the results of a search for axions from the 14.4 keV M1 transition from 57Fe in the core of the sun using the axio-electric effect in TeO2 bolometers. The detectors are 5 × 5 × 5 cm3 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 kgṡd 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 cṡkg-1ṡd-1 is established at 95% C.L., which translates into lower bounds fA >= 3.12 × 105 GeV 95% C.L. (DFSZ model) and fA >= 2.41 × 104 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 mA <= 19.2 eV and mA <= 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.

  20. 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.

  1. 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.

  2. 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.

  3. Mossbauer effect studies in iron containing nonmagnetic impurities

    NASA Technical Reports Server (NTRS)

    Singh, J. J.

    1977-01-01

    Mossbauer parameters of dilute quaternary (Fe-XYZ) alloys where X, Y, Z, are Al, Ge, and La, respectively were studied. A comparison between the computed and the observed values indicates that changes in effective hyperfine field, outer peak widths and the isomer shift predicted on the basis of binary alloys of the individual impurities are equal, within experimental errors, to those obtained in quaternary (Fe-XYZ) alloys. The effects of simultaneously present dilute impurities are shown to be additive, independent of their respective electronic configurations.

  4. Characteristic temperatures of the Mossbauer fraction and thermal-shift measurements in iron and iron salts.

    NASA Technical Reports Server (NTRS)

    Lafleur, L. D.; Goodman, C.

    1971-01-01

    Measurement of Mossbauer spectra in metallic iron, sodium nitroprusside, sodium ferrocyanide, and potassium ferrocyanide absorbers between 78 and 293 K. The temperature dependences of the Mossbauer fraction and the resonant velocity were fitted to Einstein and Debye lattice-vibration models. The characteristic temperatures of the models fitted to the Mossbauer fraction are consistently lower than those fitted to the resonant velocity showing the sensitivity of the Mossbauer fraction to low-frequency modes of vibration. The characteristic temperatures obtained from the resonant velocity are higher for the salts than for the metal, indicating the presence of higher-frequency modes in the salts. This interpretation is verified semiquantitatively by comparing the thermal-shift Debye temperatures of the salts to their infrared absorption frequencies. The Mossbauer fraction of potassium ferrocyanide shows a weaker temperature dependence than that expected for a harmonic solid, which suggests that potassium ferrocyanide is anharmonic in the temperature range studied.

  5. Cross sections of the 57Fe(n,α)54Cr and 63Cu(n,α)60Co reactions in the MeV region

    NASA Astrophysics Data System (ADS)

    Gledenov, Yu. M.; Sedysheva, M. V.; Stolupin, V. A.; Zhang, Guohui; Han, Jinhua; Wang, Zhimin; Fan, Xiao; Liu, Xiang; Chen, Jinxiang; Khuukhenkhuu, G.; Szalanski, P. J.

    2014-06-01

    Cross sections of the 57Fe(n,α)54Cr reaction are measured for the first time, and those of the 63Cu(n,α)60Co reaction are measured in the megaelectron volt region by the direct experimental method. Experiments were performed at the 4.5-MV Van de Graaff Accelerator of Peking University. Monoenergetic neutrons (5.0, 5.5, 6.0, and 6.5 MeV) were produced through the 2H(d,n)3He reaction with a deuterium gas target. Measurements were carried out using a double-section-gridded ionization chamber and back-to-back double 57Fe and 63Cu samples. Foreground and background were measured in separate runs. A 238U sample and a BF3 long counter were utilized for absolute neutron flux calibration and for neutron flux normalization, respectively. Present results are compared with talys-1.4 code predictions, existing measurements, and evaluations.

  6. 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.

  7. Calibration of modern density functional theory methods for the prediction of 57Fe Mössbauer isomer shifts: meta-GGA and double-hybrid functionals.

    PubMed

    Römelt, Michael; Ye, Shengfa; Neese, Frank

    2009-02-01

    Five density functionals including GGA (generalized gradient approximation) (BP86), meta-GGA (TPSS), hybrid meta-GGA (TPSSh), hybrid (B3LYP), and double-hybrid functionals (B2PLYP) were calibrated for the prediction of 57Fe Mössbauer isomer shifts on a set of 20 iron-containing molecules. The influence of scalar relativistic effects and the basis set dependence of the predictions were investigated. PMID:19102678

  8. 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

  9. 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

  10. A versatile Mossbauer spectrometer and its applications in vibration measurement

    NASA Technical Reports Server (NTRS)

    Singh, J. J.; Howser, L. M.

    1972-01-01

    A Fe-57 Mossbauer spectrometer, equally efficient in transmission and reflection geometries, is described. The radiation detector consists of a 1.524- by 5.08 by 5.08-cm rectangular NaI(Tl) crystal with a hole 1.524 cm in diameter. The front and back faces of the crystal are covered with beryllium windows 0.0127 cm thick and 3.81 cm in diameter. The energy of the radiation accepted for counting ranges from 6.3 keV conversion X-rays to the 14.4 keV reemitted gamma rays. The spectrometer was used to measure various types of low frequency (10 Hz) and low amplitude (0.254 mm) periodic motion of steel specimens.

  11. Applications of the Mossbauer effect: Applications in other fields. Volume 5

    SciTech Connect

    Kagan, Y.M.; Lyubutin, I.S.

    1985-01-01

    This book explores the many areas in which the Mossbauer effect has had a great impact. Collected in several volumes, these findings show how nuclear gamma resonance has resolved many questions in the physical and chemical sciences, metallurgy, geology, biology, medicine, and engineering - ranging in intricacy from the measurements of nuclear parameters to the study of the basic structural properties of materials. Topics considered include molecular orbital approach to interpretation of Mossbauer quadrupole splitting in model bisimidazole-ironporphyrins; the study of low-temperature reduction of methemoglobin of insects; electron relaxation and EFG orientation in crocidolite; coherent excitation of Mossbauer nuclei by synchrotron radiation; suppression of conversion electron yield in the Bragg scattering of Mossbauer rays; and properties of the oriented transformer tin.

  12. Modified apparatus for low temperature/high pressure Mossbauer absorber studies.

    PubMed

    Liu, C M; Ingalls, R

    1978-12-01

    A method is described in which a system designed to study Mossbauer sources as a function of pressure and temperature is modified to include absorbers as well. This is accomplished by coupling the Mossbauer source, mounted inside a cryostat, to an external transducer by means of a bellows. In addition, a simple modification has converted an existing helium Dewar to a dynamic gas flow cryostat. Temperature can be continuously varied from 300 to 20 K at pressures up to 200 kilobars. PMID:18699030

  13. Test of level density models from reactions of {sup 6}Li on {sup 58}Fe and {sup 7}Li on {sup 57}Fe

    SciTech Connect

    Oginni, B. M.; Grimes, S. M.; Voinov, A. V.; Adekola, A. S.; Brune, C. R.; Carter, D. E.; Heinen, Z.; Jacobs, D.; Massey, T. N.; O'Donnell, J. E.; Schiller, A.

    2009-09-15

    The reactions of {sup 6}Li on {sup 58}Fe and {sup 7}Li on {sup 57}Fe have been studied at 15 MeV beam energy. These two reactions produce the same compound nucleus, {sup 64}Cu. The charged particle spectra were measured at backward angles. The data obtained have been compared with Hauser-Feshbach model calculations. The level density parameters of {sup 63}Ni and {sup 60}Co have been obtained from the particle evaporation spectra. We also find contributions from the break up of the lithium projectiles to the low energy region of the {alpha} spectra.

  14. {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.

  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. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. The (Na,Li)FeGe2O6 clinopyroxene-type series: a temperature-dependent single-crystal X-ray diffraction and 57Fe Mössbauer spectroscopic study

    NASA Astrophysics Data System (ADS)

    Redhammer, Günther J.; Tippelt, Gerold

    2016-01-01

    Pyroxene-type compounds along the solid solution series LiFeGe2O6 ( P21/ c space group symmetry) and NaFeGe2O6 ( C2/ c) have been synthesized at 1273-1373 K and investigated by single-crystal X-ray diffraction at 298 K and between 105 and 298 K for Li0.4Na0.6FeGe2O6 in order to study structural variations associated with the chemical- and temperature-driven P21/ c ⇔ C2/ c phase transition. 57Fe Mössbauer spectroscopy, differential thermal analysis, and determination of thermal expansion coefficients from high-temperature powder X-ray diffraction data complete the investigations. The C2/ c phase is stabilized with increasing Na+ content and temperature, and the phase boundary is found at 789 K in pure LiFeGe2O6, decreasing to 109 K in the compound Li0.3Na0.7FeGe2O6. From the available data, a T- X structural phase diagram is constructed. The P21/ c ⇔ C2/ c phase transition is accompanied by distinct variations in lattice parameters, rearrangements in M2 site coordination as well as changes in tetrahedral site chain kinking. Also, chemical strain and the thermal expansion tensor change in size and orientation with Li+ by Na+ replacement. The study will provide a detailed description of the observed variations in bond lengths, bond angles, and distortion parameters.

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

    PubMed

    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 (57)Fe-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)(57)Fe plane was studied using (57)Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)(57)Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe-CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)(57)Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)(57)Fe(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

  4. 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.

  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

    DOE PAGESBeta

    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

  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. 57Fe Moessbauer Spectroscopic Investigations on the Brownmillerite Series Ca2(Fe2-xAlx)O5

    SciTech Connect

    Redhammer, G.J.; Roth, G.

    2005-04-26

    Several compounds along the Brownmillerite solid solution series Ca2Fe2-xAlxO5 with 0.0 {<=} x {<=} 1.34 have been synthesized by slow cooling from the melt and subsequent quenching. These samples were studied by Moessbauer spectroscopy at different absorber temperatures. Samples up to x = 1.00 are antiferromagnetically ordered at room temperature and can be evaluated by one octahedral and one tetrahedral magnetically split subspectra. With increasing temperature or increasing Al3+-content, respectively, the local magnetic fields decrease and finally collapse (TN = 518 K for x = 0.0 and TN = 298 K for x = 1.06, respectively). Despite the change of space group symmetry, quadrupole splittings at both positions increase almost linearly with increasing Al3+-content. This can be referred to structural changes reported. Even at low Al3+-contents, there always is a distribution of Fe3+ and Al3+ over the tetrahedral and octahedral positions in contrast to earlier results. Fe3+ prefers the octahedral and Al3+ prefers the tetrahedral positions.

  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. 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.

  11. 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

  12. 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.

  13. Sensitivity of the CUORE detector to 14.4 keV solar axions emitted by the M1 nuclear transition of 57Fe

    NASA Astrophysics Data System (ADS)

    Li, Dawei; Creswick, Richard J.; Avignone, Frank T., III; Wang, Yuanxu

    2016-02-01

    In this paper we present a calculation of the sensitivity of the CUORE detector to the monoenergetic 14.4 keV solar axions emitted by the M1 nuclear transition of 57Fe in the Sun and detected by inverse coherent Bragg-Primakoff conversion in single-crystal TeO2 bolometers. The expected counting rate is calculated using density functional theory for the electron charge density of TeO2 and realistic background and energy resolution of CUORE. Monte Carlo simulations for 5y × 741 kg=3705 kg y of exposure are analyzed using time correlation of individual events with the theoretical time-dependent counting rate. We find an expected model-independent limit on the product of the axion-photon coupling and the axion-nucleon coupling gaγγgaNeff < 1.105 × 10-16 /GeV for axion masses less than 500 eV with 95% confidence level.

  14. Equilibrium and pre-equilibrium processes in the {sup 55}Mn({sup 6}Li,xp) and {sup 57}Fe({alpha},xp) reactions

    SciTech Connect

    Voinov, A. V.; Grimes, S. M.; Brune, C. R.; Massey, T. N.; Buerger, A.; Goergen, A.; Guttormsen, M.; Larsen, A. C.; Siem, S.; Kalbach, C.

    2011-05-15

    Spectra of outgoing neutrons and protons from the {sup 6}Li + {sup 55}Mn reaction and protons from the {alpha} + {sup 57}Fe reaction have been measured with beams of 15-MeV {sup 6}Li ions and 30-MeV {alpha} particles. These reactions proceed through the same {sup 61}Ni nucleus at the same excitation energy, thus allowing the difference in reaction mechanisms to be studied. It is shown that spectra from the first reaction measured at backward angles are due to emission from a traditional compound nucleus reaction, in which the intermediate nucleus has reached statistical equilibrium; the spectra from the second reaction contain a significant fraction of pre-equilibrium emission at all angles. Level density parameters of the residual nucleus {sup 60}Co have been obtained from the first reaction. Both emission spectra and angular distributions have been measured for the second reaction. It was found that the pre-equilibrium component exhibits a forward-peaked angular distribution, as expected, but with a steeper slope than predicted and with an unusual slight rise at angles above 120 deg. The backward-angle rise is explained qualitatively by the dominance of the multistep compound mechanism at backward angles.

  15. 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.

  16. 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.

  17. 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.

  18. Mossbauer studies of complex materials: energy versus time domain.

    SciTech Connect

    Planckaert, N.; Callens, R.; Demeter, J.; Laenens, B.; Sturhahn, W.; Kharlamova, S.; Temst, K.; Vantomme, A.

    2009-06-01

    We present a critical comparison between conventional Moessbauer spectroscopy on the one hand and energy and time resolved nuclear resonant scattering on the other hand. The three Moessbauer techniques are evaluated by the characterization of the complex magnetic structure of an Fe{sub 3}Al alloy. It is shown how the different scattering processes and detection schemes, which are involved in the respective configurations, determine the specific strengths of the three techniques and how they are optimally suited for the characterization of materials of varying complexity and reduced sizes.

  19. 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.

  20. Low-temperature system for simultaneous counting of conversion electrons and backscattered γ-rays in Mossbauer effect experiment

    NASA Astrophysics Data System (ADS)

    Ruskov, Todor; Passage, Güner; Rastanawi, Abdallah; Radev, Rumen

    1994-12-01

    A system for simultaneous detection of conversion electrons, emitted after resonant exciting of 57Fe, and resonant backscattered γ-rays and X-rays, accompanying the conversion electrons, is described. The system includes a helium proportional counter, for detection of conversion electrons, and a toroidal "Keisch-type" proportional counter, connected to the vacuum part of a helium cryostat.

  1. 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.

  2. Mineralogy at Gusev Crater from the Mossbauer spectrometer on the Spirit Rover

    NASA Technical Reports Server (NTRS)

    Morris, R. V.; Klingelhofer, G.; Bernhardt, B.; Schroder, C.; Rodionov, D. S.; De Souza, P. A. Jr; Yen, A.; Gellert, R.; Evlanov, E. N.; Foh, J.; Kankeleit, E.; Gutlich, P.; Ming, D. W.; Renz, F.; Wdowiak, T.; Squyres, S. W.; Arvidson, R. E.

    2004-01-01

    Mossbauer spectra measured on Mars by the Spirit rover during the primary mission are characterized by two ferrous iron doublets (olivine and probably pyroxene) and a ferric iron doublet (tentatively associated to nanophase ferric iron oxide). Two sextets resulting from nonstoichiometric magnetite are also present, except for a coating on the rock Mazatzal, where a hematite-like sextet is present. Greater proportions of ferric-bearing phases are associated with undisturbed soils and rock surfaces as compared to fresh rock surfaces exposed by grinding. The ubiquitous presence of olivine in soil suggests that physical rather than chemical weathering processes currently dominate at Gusev crater.

  3. 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.

  4. Hyperfine interactions in soybean and lupin oxy-leghemoglobins studied using Mössbauer spectroscopy with a high velocity resolution

    NASA Astrophysics Data System (ADS)

    Kumar, A.; Alenkina, I. V.; Zakharova, A. P.; Oshtrakh, M. I.; Semionkin, V. A.

    2015-04-01

    A comparative study of monomeric soybean and lupin leghemoglobins in the oxy-form was carried out using Mössbauer spectroscopy with a high velocity resolution at 90 K. The 57Fe hyperfine parameters of measured spectra were evaluated and compared with possible structural differences in the heme Fe(II)-O 2 bond.

  5. 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

  6. Two Martian Winters at Gusev Crater and Meridiani Planum: New Results From the MER Mossbauer Spectrometers

    NASA Technical Reports Server (NTRS)

    Klingelhoefer, Goestar; Morris, Richard V.; Schroeder, Christian; Rodionov, Daniel S.; Yen, Albert S.; Ming, Douglas W.; Cohen, Barbara A.; Fleischer, Iris; Mittlefehldt, David W.; McCoy, Tim; de Souza, Paulo Jr.

    2006-01-01

    After sol 511 of its mission in Gusev Crater, Spirit traversed from the top of Husband Hill to its current Winter Haven on Low Ridge. M ssbauer analyses of several rock and soil targets along the traverse yielded further evidence for the wide-spread occurrence of aqueous processes in the Columbia Hills. The rock Independence was found on the flank of Husband Hill. It has low total Fe with about 24-30 % of its iron in ilmenite. This assemblage implies alteration under aqueous conditions; some phases were altered and elements such as Fe were leached out, while less soluble Fe-bearing phases such as ilmenite remain. The soil target Dead_Sea_Samra was found in subsurface soil revealed when the wheels dug into soil during the traverse from Husband Hill to Home Plate. Its M ssbauer spectrum shows a high abundance of ferric sulfate, similar to the Paso Robles soil targets found on Husband Hill. At its current location at Winter Haven Spirit investigated the target Halley which appears to be part of a wider-spread indurated layer underlying basaltic soil. This target shows the highest abundance of hematite in all Gusev soil and rock targets investigated to date. Opportunity at Meridiani Planum traversed from the 300 m diameter buried Erebus Crater towards 800 m Victoria Crater. The main components of Meridiani Planum jarosite-bearing outcrop rocks, basaltic soil, and a hematite lag remain remarkably constant in M ssbauer spectra throughout the traverse. Cobbles (rock fragments greater than 1 cm) show variability however. A meteorite (Barberton) has been identified based on kamacite peaks in the M ssbauer spectrum. Other cobbles show Mossbauer spectra similar to jarosite-bearing outcrops, or to basaltic rock, or mixtures thereof, suggesting an origin as impact breccias. Some cobbles were investigated at the edge of the annulus of Victoria Crater from which they may have been excavated. Mossbauer spectra reveal a basaltic signature, dominated by olivine and pyroxene. In

  7. 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.

  8. Spatial spin-modulated structure and hyperfine interactions of 57Fe nuclei in multiferroics BiFe1- x T x O3 ( T = Sc, Mn; x = 0, 0.05)

    NASA Astrophysics Data System (ADS)

    Rusakov, V. S.; Pokatilov, V. S.; Sigov, A. S.; Matsnev, M. E.; Gapochka, A. M.; Kiseleva, T. Yu.; Komarov, A. E.; Shatokhin, M. S.; Makarova, A. O.

    2016-01-01

    The results of the Mössbauer studies on 57Fe nuclei in multiferroics BiFe1- x T x O3 ( T = Sc, Mn; x = 0, 0.05) in the temperature range of 5.2-300 K have been presented. The Mössbauer spectra have been analyzed in terms of the model of an incommensurate spatial spin-modulated structure of cycloid type. Information has been obtained about the effect of the substitution of Sc and Mn atoms for Fe atoms on the hyperfine parameters of the spectrum: the shift and the quadrupole shift of the Mössbauer line, the isotropic and anisotropic contributions to the hyperfine magnetic field, and also the parameter of anharmonicity of the spatial spin-modulated structure.

  9. Structural transitions in La 0.95 Ba 0.05 Mn 0.98 57 Fe 0.02 O 3 under heat treatment

    NASA Astrophysics Data System (ADS)

    Sedykh, V.; Rusakov, V.

    2014-04-01

    Structural transitions in polycrystalline Ba-doped lanthanum manganite La0.95Ba0.05Mn0.98Fe0.02O3 + δ have been investigated under different cooling conditions after vacuum annealing (fast and slow cooling) by Mössbauer spectroscopy and X-ray diffraction (XRD) analysis. A rhombohedral structure of the synthesized La0.95Ba0.05Mn0.98Fe0.02O3 + δ sample transfers into a mixture of the orthorhombic PnmaI, PnmaII* and PnmaII phases (common space group Pnma) with a stoichiometric oxygen composition under vacuum annealing. The further vacuum annealing leads to fluctuations in a partial relation of the orthorhombic phases on fast cooling. This unusual behavior of the structural transitions are discussed.

  10. In situ x-ray reflectivity and grazing incidence x-ray diffraction study of L 1(0) ordering in (57)Fe/Pt multilayers.

    PubMed

    Raghavendra Reddy, V; Gupta, Ajay; Gome, Anil; Leitenberger, Wolfram; Pietsch, U

    2009-05-01

    In situ high temperature x-ray reflectivity and grazing incidence x-ray diffraction measurements in the energy dispersive mode are used to study the ordered face-centered tetragonal (fct) L 1(0) phase formation in [Fe(19 Å)/Pt(25 Å)]( × 10) multilayers prepared by ion beam sputtering. With the in situ x-ray measurements it is observed that (i) the multilayer structure first transforms to a disordered FePt and subsequently to an ordered fct L 1(0) phase, (ii) the ordered fct L 1(0) FePt peaks start to appear at 320 °C annealing, (iii) the activation energy of the interdiffusion is 0.8 eV and (iv) ordered fct FePt grains have preferential out-of-plane texture. The magneto-optical Kerr effect and conversion electron Mössbauer spectroscopies are used to study the magnetic properties of the as-deposited and 400 °C annealed multilayers. The magnetic data for the 400 °C annealed sample indicate that the magnetization is at an angle of ∼50° from the plane of the film. PMID:21825468

  11. 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

  12. 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.

  13. A study of the domain structure of ferrites in the vicinity of the compensation point by Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Aliev, Sh. M.; Kamilov, I. K.; Aliev, M. Sh.; Ibaev, Zh. G.

    2016-02-01

    A single-crystal sample of gadolinium ferrite garnet Gd3Fe5O12 was studied by Mössbauer spectroscopy near compensation point T cm ( T cm = 286 K). The relative intensities of absorption lines in 57Fe Mössbauer spectra allow it to be concluded that the domain sizes in ferrite grow with the temperature approaching T cm, with domain structure in the sample disappearing at compensation point T cm.

  14. Mössbauer spectroscopy of Fe/S proteins.

    PubMed

    Pandelia, Maria-Eirini; Lanz, Nicholas D; Booker, Squire J; Krebs, Carsten

    2015-06-01

    Iron-sulfur (Fe/S) clusters are structurally and functionally diverse cofactors that are found in all domains of life. (57)Fe Mössbauer spectroscopy is a technique that provides information about the chemical nature of all chemically distinct Fe species contained in a sample, such as Fe oxidation and spin state, nuclearity of a cluster with more than one metal ion, electron spin ground state of the cluster, and delocalization properties in mixed-valent clusters. Moreover, the technique allows for quantitation of all Fe species, when it is used in conjunction with electron paramagnetic resonance (EPR) spectroscopy and analytical methods. (57)Fe-Mössbauer spectroscopy played a pivotal role in unraveling the electronic structures of the "well-established" [2Fe-2S](2+/+), [3Fe-4S](1+/0), and [4Fe-4S](3+/2+/1+/0) clusters and -more-recently- was used to characterize novel Fe/S clustsers, including the [4Fe-3S] cluster of the O2-tolerant hydrogenase from Aquifex aeolicus and the 3Fe-cluster intermediate observed during the reaction of lipoyl synthase, a member of the radical SAM enzyme superfamily. PMID:25498248

  15. 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.

  16. Nuclear forward scattering vs. conventional Mossbauer studies of atomically tailored Eu-based materials.

    SciTech Connect

    Konjhodzic, A.; Adamczyk, A.; Hasan, Z.; Alp, E. E.; Sturhahn, W.; Zhao, J.; Carroll, J. J.; Vagizov, F.; Univ. of Philadelphia; Youngstown State Univ.

    2006-01-01

    With the decrease in size of devices, rapid characterization of nano-devices is an inevitable necessity. It is shown that Moessbauer spectroscopy using synchrotron radiation from the advanced photon source provides such a tool of investigation. Results are presented and compared for conventional Moessbauer and Nuclear Forward Scattering for {sup 151}Eu-doped magnesium sulfide as an example, especially at low concentrations.

  17. 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.

  18. 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.

  19. The structure and stability of CaFe layered double hydroxides with various Ca:Fe ratios studied by Mössbauer spectroscopy, X-ray diffractometry and microscopic analysis

    NASA Astrophysics Data System (ADS)

    Sipiczki, M.; Kuzmann, E.; Homonnay, Z.; Megyeri, J.; Pálinkó, I.; Sipos, P.

    2013-07-01

    The effects of the Ca(II)/Fe(III) ratios on the structure and Fe microenvironments have been studied in layered double hydroxides comprising of Ca(II) and Fe(III) (CaFe-LDH) prepared by the co-precipitation method. The Ca(II)/Fe(III) ratios were varied systematically from 2 to 6 and for characterisation 57Fe Mössbauer spectroscopy, powder X-ray diffractometry and scanning electron microscopy were applied. XRD patterns of the samples at all Ca(II)/Fe(III) ratios exhibited reflections corresponding to CaFe-LDH and 57Fe Mössbauer measurements revealed that Fe(III) was in a high-spin, somewhat disordered octahedral environment. Above the Ca(II)/Fe(III) ratio of 2 the reflections of Ca(OH)2 also appeared. This phase was found to stabilise the LDH phase, while the phase-pure LDH decomposed on ageing.

  20. Attempt to measure magnetic hyperfine fields in metallic thin wires under spin Hall conditions using synchrotron-radiation Mössbauer spectroscopy

    SciTech Connect

    Mibu, K. Tanaka, M. A.; Mitsui, T.; Masuda, R.; Kitao, S.; Kobayashi, Y.; Seto, M.; Yoda, Y.

    2015-05-07

    Measurement of the magnetic hyperfine fields in metallic thin wires under spin Hall conditions was attempted using the emerging technique, synchrotron-radiation Mössbauer spectroscopy. A Mössbauer probe layer of {sup 57}Fe (0.2 nm), {sup 57}Fe (0.6 nm), or {sup 119}Sn (0.6 nm) was embedded as an electron spin detector near the surfaces of V, Au, Pt, and {sup 56}Fe wires. The magnitudes of the magnetic hyperfine fields at the {sup 57}Fe and {sup 119}Sn nuclear sites that could be enhanced by non-equilibrium conduction-electron spin polarization were measured both without and with the application of an electric current along the wire. Changes in the Mössbauer spectra were not clearly observed, indicating that the magnetic hyperfine field induced by non-equilibrium spin polarization is smaller than the detection limit at least for the measured systems and conditions.

  1. 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.

  2. Mössbauer spectroscopy study of iron corrosion underneath painting system

    NASA Astrophysics Data System (ADS)

    Nigam, R. K.; Hajela, B. P.; Sengupta, S.; Srivastava, B. C.; Gupta, K. M.

    1986-02-01

    The effect of pigments on the development of corrosion products between the painting system and metal surface when exposed to marine environments has been discussed. The pigments studied were; Red Mud Zinc chromate, Zinc chromate, Red oxide Zinc Phosphate, Manganese Phosphate Barium chromate and Basic Lead Silico Chromate. Mossbauer Spectroscopy revealed that the upper rust layer in all the cases consisted of γ-Fe203, γ-FeOOH and α-FeOOH. The lower rust layer immediately in contact with the metal surface consisted of an asymmetrical doublet due to γ-FeOOH.

  3. 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. PMID:23955030

  4. Application of emission ( 57Co) Mössbauer spectroscopy in bioscience

    NASA Astrophysics Data System (ADS)

    Kamnev, Alexander A.

    2005-06-01

    Cobalt is an essential trace element with a broad range of physiological and biochemical functions. However, biochemical speciation of cobalt and structural investigations of cobalt-containing complexes with biomacromolecules are challenging, as the participation of cobalt in physiological processes is limited by its very low concentrations. Emission Mössbauer spectroscopy (EMS), with the radioactive 57Co isotope as the most widely used nuclide, is several orders of magnitude more sensitive than its 57Fe absorption variant which has had a rich history of applications in bioscience. Nevertheless, owing to specific difficulties related to the necessity of using radioactive 57Co in samples under study, applications of EMS in biological fields have so far been sparse. In this communication, the EMS applicability to studying biological objects as well as some specific aspects of the EMS methodology are considered in order to draw attention to the unique structural information which can be obtained non-destructively in situ. Chemical consequences (after-effects) of the nuclear transition ( 57Co→ 57Fe), which provide additional information on the electron acceptor properties of the proximate chemical microenvironment of the metal ions, are also considered. The data presented demonstrate that EMS is a sensitive tool for monitoring the chemical state and coordination of cobalt species in biological matter and in biomacromolecular complexes (metalloenzymes), providing valuable structural information at the atomic level.

  5. 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

  6. 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.

  7. Magnetic Texturing of Xenon-Irradiated Iron Films Studied by Magnetic Orientation Mössbauer Spectroscopy

    NASA Astrophysics Data System (ADS)

    Müller, G. A.; Lieb, K. P.; Carpene, E.; Zhang, K.; Schaaf, P.; Faupel, J.; Krebs, H. U.

    2004-11-01

    Modifications of magnetic properties upon heavy-ion irradiation have been recently investigated for films of ferromagnetic 3d-elements (Fe, Ni, Co) and alloys (permendur, permalloy), in relation to changes of their microstructure. Here we report on Xe-ion irradiation of a highly textured iron film prepared via pulsed-laser deposition on a MgO(100) single crystal and containing a thin 57Fe marker layer for magnetic orientation Mössbauer spectroscopy (MOMS). We compare the results with those obtained for a polycrystalline Fe/Si(100) sample produced by electron evaporation and premagnetized before Xe-irradiation in a 300 Oe external field. Characterization of the samples also included magneto-optical Kerr effect (MOKE), Rutherford backscattering spectroscopy (RBS) and X-ray diffraction (XRD).

  8. 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.

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

    PubMed Central

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

    2013-01-01

    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%-57Fe-enriched [Fe4S4Cl4]= and 10%-57Fe and 90%-54Fe 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. PMID:23955030

  10. 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.

  11. 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.

  12. A weak magnetism observed in SnO2 doped with Fe by means of Perturbed Gamma-Gamma Angular Correlation and Mössbauer Spectroscopy

    NASA Astrophysics Data System (ADS)

    Ramos, J. M.; Carbonari, A. W.; Martucci, T.; Costa, M. S.; Cabrera-Pasca, G. A.; Macedo, M. A. V.; Saxena, R. N.

    Nano-structured samples of SnO2 doped with Fe prepared by the sol-gel method were studied by the Perturbed Gamma-Gamma Angular Correlation (PAC) Spectroscopy using 111In (111Cd) probe nuclei as well as by 57Fe Mšssbauer spectroscopy. The samples were prepared from very pure metallic Sn and Fe. Carrier-free 111In nuclei were introduced during the sol-gel process of sample preparation for PAC measurements. The PAC measurements were carried out after annealing the samples at different temperatures and the results show a combined electric quadrupole and magnetic dipole interaction for probe nuclei that do not occupy the regular Sn sites. The hyperfine parameters revealed weak magnetic interactions.

  13. Carbon monoxide hydrogenation over rhenium-iron oxide catalysts and their characterization by soft X-ray spectroscopy

    SciTech Connect

    Komlyama, M.; Tsunoda, T.; Ogino, Y.

    1986-03-01

    Rhenium-iron oxide catalysts, prepared by the conventional impregnation technique and activated by reduction under various conditions, gave higher selectivities to oxygenates (mainly alcohols) in carbon monoxide hydrogenation than the control iron oxide (magnetite) catalysts. Bulk-sensitive soft X-ray spectroscopy (SXS) along with X-ray diffraction and Mossbauer spectroscopy found that in rhenium-iron oxide catalysts iron oxide is in the form of an intermediate phase represented as (1 - x)Fe/sub 3/O/sub 4/.xFe/sub 8/3/O/sub 4/; between Fe/sub 3/O/sub 4/ and ..gamma..-Fe/sub 2//O/sub 3/. The extent of the formation of this intermediate phase was correlated with the oxygenate selectivities of the rhenium-iron oxide catalysts. The usefulness of SXS in characterizing bulk of solid catalysts was demonstrated.

  14. Characterization of Maghsail meteorite from Oman by Mössbauer spectroscopy, X-ray diffraction and petrographic microscopy

    NASA Astrophysics Data System (ADS)

    Al-Rawas, A. D.; Gismelseed, A. M.; Al-Kathiri, A. F.; Elzain, M. E.; Yousif, A. A.; Al-Kathiri, S. B.; Widatallah, H. M.; Abdalla, S. B.

    2008-09-01

    The meteorite found at Maghsail (16 55 70 N 53 46 69 E) west of Salalah Oman, has been studied by 57Fe Mössbauer spectroscopy, X-diffractometry and petrographic microscopy. In the polished section the meteorite exhibits a porphyritic texture consisting of pyroxene and olivine phenocrysts in a fine to medium grained ground mass in addition to minor phases possibly skeletal chromite, troilite and minute amount of iron oxides. X-ray diffraction supports the existence of these compounds. The Mössbauer spectra of powdered material from the core of the rock at 298 K and 78 K exhibit a mixture of magnetic and paramagnetic components. The paramagnetic components are assigned to the silicate minerals olivine and pyroxene. On the other hand, the magnetic spectra reveal the presence of troilite and iron oxides. The petrographic analyses indicate that the iron oxides are terrestrial alteration products.

  15. Characterization of the firing conditions of archaeological Marajoara pottery by Mössbauer spectroscopy and X-ray diffraction

    NASA Astrophysics Data System (ADS)

    Munayco, P.; Scorzelli, R. B.

    2013-08-01

    Here we report on a study of samples from fragments of Marajoara ceramics using 57Fe Mössbauer spectroscopy and XRD. The Mössbauer spectra were measured at room temperature (RT) and at liquid helium temperature (4.2 K). Despite a certain variability of the Mössbauer spectra, dominant features could be established, which allowed the samples to be classified into characteristic types (Möss-types) according to their Mössbauer patterns. The different Möss-types were defined on account of the presence and intensity or the absence of certain components, mainly in the RT spectra. The analysis is complemented by data obtained by X-ray diffraction.

  16. 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

  17. Mössbauer spectroscopy and the structure of interfaces on the atomic scale in metallic nanosystems

    NASA Astrophysics Data System (ADS)

    Uzdin, V. M.

    2007-10-01

    A microscopic model of the formation of an alloy on the interface has been constructed, which takes into account the exchange of atoms with the substrate atoms and the “floating up” of the latter into the upper layers in the process of epitaxial growth. The self-consistent calculations of atomic magnetic moments of spatially inhomogeneous structures obtained in this case are used for the interpretation of data of Mössbauer spectroscopy. The proposed scenario of mixing leads to the appearance of a preferred direction in the sample and the asymmetry of interfaces in the direction of epitaxial growth. In the multilayer M 1/ M 2 ( M 1,2 = Fe, Cr, V, Sn, or Ag) systems, this asymmetry makes it possible to understand the difference in the magnetic behavior of M 1-on M 2 and M 2-on- M 1 interfaces which has been observed experimentally. The correlation between the calculated distributions of magnetic moments and the measured distributions of hyperfine fields at iron atoms confirms the assumption about their proportionality for a broad class of metallic multilayer systems. However, a linear decrease of hyperfine fields at the 57Fe nuclei with increasing number of impurity atoms among the nearest and next-nearest neighbors is not confirmed for Fe/Cr systems, although is correct in Fe/V superlattices. In the Fe/Cr multilayer systems, the experimentally measured value of magnetoresistance grows with increasing fraction of the “floated up” atoms of 57Fe. Thus, it is the bulk scattering by impurity atoms that gives the basic contribution to the effect of giant magnetoresistance. The problem of the influence of mixing and adsorption of hydrogen in the vanadium layers on the state of the spin-density wave in V/Cr superlattices has been considered.

  18. 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.

  19. Local atomic arrangement in mechanosynthesized Co x Fe1-x-y Ni y alloys studied by Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Pikula, Tomasz

    2014-07-01

    Mechanosynthesized Co x Fe1-x-y Ni y alloys were examined using X-ray diffraction (XRD) and Mössbauer spectroscopy. In order to explain the shape of hyperfine magnetic field (HMF) distributions for the alloys, a local environment model based on a multinomial distribution was proposed. The model was in agreement with the XRD data and confirmed that the studied alloys were disordered solid solutions. It was successfully applied to describe the samples with bcc and fcc crystalline lattice type within the relatively broad range of components concentration. The results showed that the change of the crystalline lattice type does not cause an abrupt change of the HMF value. Moreover, a mean number of unpaired spins for the first coordination sphere may be used as a parameter to describe the HMF value experienced by 57Fe nucleus. Finally, a set of the most probable atomic configurations and their corresponding contributions to the HMF distribution were obtained.

  20. 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…

  1. 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.

  2. 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.

  3. Electrochemical synthesis for the control of {gamma}-Fe{sub 2}O{sub 3} nanoparticle size. Morphology, microstructure, and magnetic behavior

    SciTech Connect

    Pascal, C.; Pascal, J.L.; Favier, F.; Moubtassim, M.L.E.; Payen, C.

    1999-01-01

    The electrochemical synthesis of nanoparticles of {gamma}-Fe{sub 2}O{sub 3} was performed in an organic medium. The size was directly controlled by the imposed current density, and the resulting particles were stabilized as a colloidal suspension by the use of cationic surfactants. The size distributions of the particles were narrow, with the average sizes varying from 3 to 8 nm. The amorphous character of the nanoparticles was clearly established by X-ray powder diffraction and TEM analysis. The microstructure of this phase could nevertheless be spectroscopically related to maghemite, {gamma}-Fe{sub 2}O{sub 3}. {sup 57}Fe Mossbauer spectroscopy and magnetization measurements indicated that the dry powders exhibit superparamagnetic behavior at room temperature.

  4. Mössbauer and Kerr microscopy investigation of crystallization in FeCoB ribbons

    NASA Astrophysics Data System (ADS)

    Reddy, V. Raghavendra; Hussain, Zaineb; Babu, Hari; Shrivastava, Namrata; Gupta, Ajay

    2016-05-01

    The present work reports the crystallization study of amorphous FeCoB ribbons using x-ray diffraction, 57Fe Mössbauer spectroscopy in transmission mode and magneto-optical Kerr (MOKE) microscopy. Annealing at 673 K is found to result in crystallization. From the Mossbauer measurements it is observed that the Fe magnetic moments are in the plane of sample for as-cast ribbon; α-FeCo, (Fe0.5Co0.5)2B and Fe2B phases are formed after crystallization. MOKE microscopy revealed that wide 180° domain walls & narrow fingerprint domains are observed before crystallization and fine domains are observed after crystallization. The results are explained in terms of the presence of internal stresses and their annealing with thermal heat treatment.

  5. Moessbauer Spectroscopy of Mineral Separates from SNC Meteorites

    NASA Technical Reports Server (NTRS)

    Dyar, M. D.

    2003-01-01

    Numerous workers have recently focused attention on the issue of the oxygen fugacity (f(sub O2)) of martian samples. Estimates of fO2 based on Fe-Ti oxides and D(sub Eu)/D(sub Gd) and D(sub Eu)/D(sub Sm) ratios suggest a range of fO2 values for SNC meteorites from IW+2.5 - IW+3.5 for Shergotty to IW- 2.0 - IW+0.2 for QUE94201. Fe(3+)/Fe(2+) is also a function of f(sub O2), and synchrotron micro-XANES values for olivine, pyroxene, and feldspar Fe(3+) have been reported. However, the relationship between the reported Fe(3+) values and the other methods for estimating f(sub O2) is not clear, and further measurements of Fe(3+)/Fe(2+) by a more conventional technique have been needed. Accordingly, in this project, new Mossbauer spectroscopy data on mineral separates handpicked from 10 SNC meteorites are reported.

  6. 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.

  7. 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)

  8. 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)

  9. 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

  10. Magnetic structure of Sr{sub 2}Fe{sub 2}O{sub 5} brownmillerite by single-crystal Mössbauer spectroscopy

    SciTech Connect

    Waerenborgh, J.C.; Auckett, J.E.; Ling, C.D.; Kharton, V.V.

    2013-09-15

    In order to determine orientation of the Fe{sup 3+} magnetic moments and electric field gradient (efg) axes in the brownmillerite-type strontium ferrite structure for both iron sublattices where the efg tensor is not axially symmetric, the Mössbauer spectra of powdered and oriented single-crystal Sr{sub 2}Fe{sub 2}O{sub 5} were analyzed by solving the complete Hamiltonian for hyperfine interactions in the excited and ground states of the {sup 57}Fe nuclei. The magnetic moments of both octahedrally and tetrahedrally coordinated iron cations lie on the ac-plane of the orthorhombic unit cell and are parallel to the shortest c-axis, whilst the main efg axes are parallel to the longest crystallographic axis, b. This orientation is similar to that in Ca{sub 2}Fe{sub 2}O{sub 5}, in spite of the structural differences of strontium and calcium ferrite brownmillerites at low temperatures. - Graphical abstract: Mössbauer spectra of powdered and oriented single-crystal Sr{sub 2}Fe{sub 2}O{sub 5}, analyzed by solving the complete Hamiltonian for hyperfine interactions in the excited and ground states of the {sup 57}Fe nuclei, show that the magnetic moments of both octahedrally and tetrahedrally coordinated iron cations are parallel to the shortest c-axis of the orthorhombic brownmillerite unit cell . Display Omitted - Highlights: • Single-crystal Mössbauer spectroscopy is used to study magnetic structure of Sr{sub 2}Fe{sub 2}O{sub 5}. • Complete Hamiltonian for hyperfine interactions in excited and ground states was solved. • Fe{sup 3+} magnetic moments are parallel to the shortest crystallographic axis c. • The orientation of nuclear electric field gradient is similar to that in Ca{sub 2}Fe{sub 2}O{sub 5}.

  11. 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.

  12. 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

  13. 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.

  14. Grain Spectroscopy

    NASA Technical Reports Server (NTRS)

    Allamandola, L. J.

    1992-01-01

    Our fundamental knowledge of interstellar grain composition has grown substantially during the past two decades thanks to significant advances in two areas: astronomical infrared spectroscopy and laboratory astrophysics. The opening of the mid-infrared, the spectral range from 4000-400 cm(sup -1) (2.5-25 microns), to spectroscopic study has been critical to this progress because spectroscopy in this region reveals more about a materials molecular composition and structure than any other physical property. Infrared spectra which are diagnostic of interstellar grain composition fall into two categories: absorption spectra of the dense and diffuse interstellar media, and emission spectra from UV-Vis rich dusty regions. The former will be presented in some detail, with the latter only very briefly mentioned. This paper summarized what we have learned from these spectra and presents 'doorway' references into the literature. Detailed reviews of many aspects of interstellar dust are given.

  15. Raman spectroscopy

    SciTech Connect

    Gerrard, D.L.; Bowley, H.J.

    1986-04-01

    The period of this review is from late 1983 to late 1985. During this time over 5000 papers have appeared in the scientific literature dealing with many applications of Raman spectroscopy and extending its use to several new areas of study. As in the previous review in this series most of the applications relevant to solids are covered in one or other of the ten categories, which are the same as those used previously. However, aspects relating to solids which are not covered elsewhere include general reviews and the specific field of semiconductors. This is an area of great current interest in terms of Raman spectroscopy and the characterization of semiconductor materials and surfaces has been reported. Raman scattering also provides a new probe for the elucidation of structural properties of microcrystalline silicon and resonance Raman scattering in silicon at elevated temperatures has been studied. Many studies on carbon have also appeared in the literature including that of the various types of carbon, the use of Raman scattering to investigate disorder and crystallite formation in annealed carbon, in situ studies of intercalation kinetics, structural aspects of cokes and coals, and instrumentation for coal gasification. Raman spectroscopy has been applied to such diverse systems as organic crystals, the determination of modifications in layered crystals, the detection of explosives on silica gel or carbon, diagnostics of heterogeneous chemical processes, and a study of tungsten-halogen bulbs. Laser Raman spectroscopy has also been coupled with liquid chromatography and phase-resolved background suppression has been used to enhance Raman spectra. 397 references.

  16. Investigating Surface Mineralogy, Alteration Processes, and Biomarkers on Mars Using Laser Raman Spectroscopy

    NASA Technical Reports Server (NTRS)

    Wang, Alian; Jolliff, B. L.; Haskin, L. A.

    2003-01-01

    Despite a wealth of information from past and ongoing missions to Mars, the capability to determine the mineralogy of surface materials and to connect mineralogy with lithologic characteristics that are diagnostic of the environment in which those materials formed remains inadequate. The 2003 Mars Exploration Rovers (MER) will carry a Mini-TES and a Mossbauer spectrometer, which will provide some detailed mineralogy information. For general characterization of minerals and/or biogenic phases (reduced carbon, PAHs, etc) on the surface of Mars, we have been developing a miniaturized laser Raman spectrometer for in situ analyses -- the Mars Microbeam Raman Spectrometer, MMRS. We are also developing strategies to use Raman spectroscopy as a stand-alone technique and to be used synergistically with other in situ analysis methods in future planetary missions. Through studies of Martian meteorites and terrestrial analogs, we are gaining experience of what compositional and structural information can be obtained on key mineral groups using in-situ Raman measurements. We are developing methods for determining mineral proportions in rocks or soils and identifying rock types from sets of closely spaced, rapidly acquired spectra. We are studying how weathering and alteration affect the Raman and luminescence features of minerals and rocks, and we are investigating the Raman characteristics of biogenic organisms and their remains. These studies form the scientific basis for in-situ planetary Raman spectroscopy, and they are being done in parallel with instrument development towards a flight version of the MMRS.

  17. Laser Spectroscopy

    NASA Astrophysics Data System (ADS)

    Katori, H.; Yoneda, H.; Nakagawa, K.; Shimizu, F.

    2010-02-01

    Anderson localization of matter-waves in a controlled disorder: a quantum simulator? / A. Aspect ... [et al.] -- Squeezing and entanglement in a Bose-Einstein condensate / C. Gross ... [et al.] -- New physics in dipolar Bose-Einstein condensates / Y. Kawaguchi, H. Saito, and M. Ueda -- Observation of vacuum fluctuations in a spinor Bose-Einstein condensate / C. Klempt ... [et al.] -- Negative-index media for matter waves / F. Perales ... [et al.] -- Entanglement of two individual atoms using the Rydberg blockade / A. Browaeys ... [et al.] -- Array of mesoscopic ensembles on a magnetic atom chip / A. F. Tauschinsky ... [et al.] -- Stability of the proton-to-electron mass ratio tested with molecules using an optical link to primary clock / A. Amy-Klein ... [et al.] -- Metastable helium: lifetime measurements using cold atoms as a test of QED / K. G. H. Baldwin ... [et al.] -- Optical lattice clocks with single occupancy bosons and spin-polarized fermions toward 10[symbol] accuracy / M. Takamoto ... [et al.] -- Frequency measurements of Al[symbol] and Hg[symbol] optical standards / W. M. Itano ... [et al.] -- Switching of light with light using cold atoms inside a hollow optical fiber / M. Bajcsy ... [et al.] -- Room-temperature atomic ensembles for quantum memory and magnetometry / K. Jensen ... [et al.] -- Components for multi-photon non-classical state preparation and measurement / G. Puentes ... [et al.] -- Quantum field state measurement and reconstruction in a cavity by quantum nondemolition photon counting / M. Brune ... [et al.] -- XUV frequency comb spectroscopy / C. Gohle ... [et al.] -- Ultrahigh-repetition-rate pulse train with absolute-phase control produced by an adiabatic raman process / M. Katsuragawa ... [et al.] -- Strongly correlated bosons and fermions in optical lattices / S. Will ... [et al.] -- Bragg spectroscopy of ultracold bose gases in optical lattices / L. Fallani ... [et al.] -- Synthetic quantum many-body systems / C. Guerlin ... [et al

  18. Rhyolite-dacite-trachyandesite association: a Mössbauer spectroscopy study

    NASA Astrophysics Data System (ADS)

    Hassan, K. M.

    2009-07-01

    Three volcanic dykes, rhyolite, dacite and trachyandesite cutting a radioactive granite, located between Latitudes 22° 47' 396″-22° 47' 884″ N and Longitudes 31° 54' 883″-31° 54' 894″ E in the south Western Desert of Egypt were sampled and analyzed by X-ray diffraction, 57Fe Mössbauer spectroscopy and chemical method. They are consisted of feldspar and quartz together with some paramagnetic minerals including aegirine plus minor riebeckite in the rhyolite; aegirine plus some riebeckite in the dacite; and riebeckite plus trace aegirine in the trachyandesite, respectively. The bulk content of iron in each dyke has characteristic ferric-quadrupole splitting and oxidation values: 0.29 millimeters per second (mm/s) and 100% for rhyolite; 0.31 mm/s and 82% for dacite; and 0.35 mm/s and 0.69% for trachyandesite. Variations in the quadrupole splitting have been attributed to changes from the local crystal chemistry, while the oxidation variations are source-related.

  19. Raman spectroscopy

    SciTech Connect

    Gerrard, D.L.; Bowley, H.J.

    1988-06-15

    The period of this review is from late 1985 to late 1987. During this time over 6000 papers have been published in the scientific literature dealing with many applications of Raman spectroscopy and extending its use to new areas of study. This article covers only those papers that are relevant to the analytical chemist and this necessitates a highly selective approach. There are some areas that have been the subject of many papers with relatively few being of analytical interest. In such cases the reader is referred to appropriate reviews which are detailed in this section.

  20. 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.

  1. Attosecond Spectroscopy

    NASA Astrophysics Data System (ADS)

    Schultze, Martin

    2011-05-01

    Attosecond spectroscopy is enabled by the advent of intense ultrashort light pulses comprising merely a few wave cycles. Manipulating the hyperfast-varying electric field evolution of these pulses permits the manipulation and tracking of the atomic-scale motion of electrons. A striking implication of this ability is the generation and characterization of isolated attosecond pulses of extreme ultraviolet (XUV) light and their characterization. Spectroscopic techniques making use of the unprecedented temporal resolution that attosecond XUV pulses offer can track and control electron dynamics in the interior of atoms, molecules as well as in solids and provide insight in the evolution of ultrafast electronic population dynamics and related coherent processes. Attosecond technology in combination with conventional electron spectroscopy, dubbed ``attosecond streaking'' investigates the timing of photoemission and electronic transport processes on solid surfaces. The extension of transient absorption measurement schemes makes coherent electronic dynamics accessible and the effects that ultrastrong and -short laser electric fields exert on the electronic structure of matter and the band structure population dynamics.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. MHD Spectroscopy

    SciTech Connect

    Heeter, R F; Fasoli, A; Testa, D; Sharapov, S; Berk, H L; Breizman, B; Gondhalekar, A; Mantsinen, M

    2004-03-23

    Experiments are conducted on the JET tokamak to assess the diagnostic potential of MHD active and passive spectroscopy, for the plasma bulk and its suprathermal components, using Alfv{acute e}n Eigenmodes (AEs) excited by external antennas and by energetic particles. The measurements of AE frequencies and mode numbers give information on the bulk plasma. Improved equilibrium reconstruction, in particular in terms of radial profiles of density and safety factor, is possible from the comparison between the antenna driven spectrum and that calculated theoretically. Details of the time evolution of the non-monotonic safety factor profile in advanced scenarios can be reconstructed from the frequency of ICRH-driven energetic particle modes. The plasma effective mass can be inferred from the resonant frequency of externally driven AEs in discharges with similar equilibrium profiles. The stability thresholds and the nonlinear development of the instabilities can give clues on energy and spatial distribution of the fast particle population. The presence of unstable AEs provides lower limits in the energy of ICRH generated fast ion tails. Fast ion pressure gradients and their evolution can be inferred from the stability of AEs at different plasma radial positions. Finally, the details of the AE spectrum in the nonlinear stage can be used to obtain information about the fast particle velocity space diffusion.

  7. Planetary spectroscopy

    NASA Technical Reports Server (NTRS)

    Fink, Uwe

    1988-01-01

    The main goal of the research is charge coupled device (CCD) spectroscopic and imaging studies of the solar system in support of spacecraft investigations. Studies include the physical behavior of comets, the atmosphere of the gaseous planets, and the solid surfaces of satellites and asteroids. The major observing program consisted of approximately 50 nights of photometry of Comet Halley in order to resolve the controversy over this comet's rotation period. This data is presently being analyzed. Additional observing projects included the spectroscopic occultation of Charon by Pluto, reflection spectroscopy of Mercury, and a spectrum of the satellite Oberon. Mercury data does not corroborate the Fe(++) absorption feature reported by McCord and Clark at 8800 A but instead potentially shows a weaker feature at longer wavelengths. This position is in much closer accord with expectations for Mercury since a band center near 8800 A implies too little Fe(++) on Mercury, especially if band shifts with temperature are considered. The Pluto project proved that the deep methane absorptions visible in their combined specta are due soley to Pluto with Charon showing a flat and featureless spectrum. It appears that if Charon ever contained a substantial methane component, the satellite's low surface gravity could not hold it and the methane evaporated and escaped.

  8. SIMP spectroscopy

    NASA Astrophysics Data System (ADS)

    Hochberg, Yonit; Kuflik, Eric; Murayama, Hitoshi

    2016-05-01

    We study the interactions between strongly interacting massive particle dark matter and the Standard Model via a massive vector boson that is kinetically mixed with the hypercharge gauge boson. The relic abundance is set by 3 → 2 self-interactions of the dark matter, while the interactions with the vector mediator enable kinetic equilibrium between the dark and visible sectors. We show that a wide range of parameters is phenomenologically viable and can be probed in various ways. Astrophysical and cosmological constraints are evaded due to the p-wave nature of dark matter annihilation into visible particles, while direct detection methods using electron recoils can be sensitive to parts of the parameter space. In addition, we propose performing spectroscopy of the strongly coupled dark sector at e + e - colliders, where the energy of a mono-photon can track the resonance structure of the dark sector. Alternatively, some resonances may decay back into Standard Model leptons or jets, realizing `hidden valley' phenomenology at the LHC and ILC in a concrete fashion.

  9. 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.

  10. Mossbauer study of the Allende meteorite

    NASA Astrophysics Data System (ADS)

    Oliver, F. W.; Isuk, E. E.; Wynter, C.

    1984-03-01

    A room temperature spectrum of a Moessbauer investigation of the Allende III carbonaceous chondrite is presented. Analysis demonstrates that the iron minerals are predominantly olivine, and that there exists a small quantity of a phyllosilicate or goethite. The magnitude of the isomer shift relative to iron foil (1.43 + or - .01 mm/s) for the olivine shows iron to be in the Fe(2) state. Quadrupole splitting of the olivine is 2.92 + or - .01 m/s. Nothing suggests appreciable quantities of ferromagnetic materials.

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. Critical magnetic transition in TbNi2Mn--magnetization and Mössbauer spectroscopy.

    PubMed

    Wang, J L; Campbell, S J; Kennedy, S J; Zeng, R; Dou, S X; Wu, G H

    2011-06-01

    The structural and magnetic properties of the TbNi(2)Mn(x) series (0.9 ≤ x ≤ 1.10) have been investigated using x-ray diffraction, field- and temperature-dependent AC magnetic susceptibility, DC magnetization (5-340 K; 0-5 T) and (57)Fe Mössbauer spectroscopy (5-300 K). TbNi(2)Mn(x) crystallizes in the MgCu(2)-type structure (space group Fd3m). The additional contributions to the magnetic energy terms from transition-metal-transition-metal interactions (T-T) and rare-earth-transition-metal interactions (R-T) in RNi(2)Mn compounds contribute to their increased magnetic ordering temperatures compared with RNi(2) and RMn(2). Both the lattice constant a and the Curie temperature T(C) exhibit maximal values at the x = 1 composition indicating strong magnetostructural coupling. Analyses of the AC magnetic susceptibility and DC magnetization data of TbNi(2)Mn around the Curie temperature T(C) = 147 K confirm that the magnetic transition is second order with critical exponents β = 0.77 ± 0.12, γ = 1.09 ± 0.07 and δ = 2.51 ± 0.06. These exponents establish that the magnetic interactions in TbNi(2)Mn are long range despite mixed occupancies of Tb and Mn atoms at the 8a site and vacancies. The magnetic entropy - ΔS(M) around T(C) is proportional to (μ(0)H/T(C))(2/3) in agreement with the critical magnetic analyses. The Mössbauer spectra above T(C) are fitted by two sub-spectra in agreement with refinement of the x-ray data while below T(C) three sub-spectra are required to represent the three inequivalent local magnetic environments. PMID:21555840

  16. Critical magnetic transition in TbNi2Mn—magnetization and Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Wang, J. L.; Campbell, S. J.; Kennedy, S. J.; Zeng, R.; Dou, S. X.; Wu, G. H.

    2011-06-01

    The structural and magnetic properties of the TbNi2Mnx series (0.9 <= x <= 1.10) have been investigated using x-ray diffraction, field- and temperature-dependent AC magnetic susceptibility, DC magnetization (5-340 K 0-5 T) and 57Fe Mössbauer spectroscopy (5-300 K). TbNi2Mnx crystallizes in the MgCu2-type structure (space group Fd\\bar {3}m ). The additional contributions to the magnetic energy terms from transition-metal-transition-metal interactions (T-T) and rare-earth-transition-metal interactions (R-T) in RNi2Mn compounds contribute to their increased magnetic ordering temperatures compared with RNi2 and RMn2. Both the lattice constant a and the Curie temperature TC exhibit maximal values at the x = 1 composition indicating strong magnetostructural coupling. Analyses of the AC magnetic susceptibility and DC magnetization data of TbNi2Mn around the Curie temperature TC = 147 K confirm that the magnetic transition is second order with critical exponents β = 0.77 ± 0.12, γ = 1.09 ± 0.07 and δ = 2.51 ± 0.06. These exponents establish that the magnetic interactions in TbNi2Mn are long range despite mixed occupancies of Tb and Mn atoms at the 8a site and vacancies. The magnetic entropy - ΔSM around TC is proportional to (μ0H/TC)2/3 in agreement with the critical magnetic analyses. The Mössbauer spectra above TC are fitted by two sub-spectra in agreement with refinement of the x-ray data while below TC three sub-spectra are required to represent the three inequivalent local magnetic environments.

  17. 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.

  18. Moessbauer Spectroscopy on the Martian Surface: Predictions

    NASA Technical Reports Server (NTRS)

    Schaefer, M. W.; Dyar, M. D.

    2003-01-01

    Moessbauer spectrometers will be used on the upcoming MER/Athena and Mars Express/ Beagle 2 landers to identify and quantify relative amounts of iron-bearing minerals and determine Fe3+/Fe2+ ratios, allowing more realistic modeling of Martian mineralogy and geochemistry. To properly interpret the spectra acquired by these instruments, we must understand the Mossbauer parameters of minerals that we might expect to find on Mars. We present here a summary of predicted Fe-bearing minerals that might be observed by the MER Moessbauer spectrometers, based upon previous and our own on-going work.

  19. 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.

  20. Selective Dissolution Techniques, X-Ray Diffraction and Mössbauer Spectroscopy Studies of Forms of Fe in Particle-Size Fractions of an Entic Haplustoll

    NASA Astrophysics Data System (ADS)

    Acebal, S. G.; Aguirre, M. E.; Santamaría, R. M.; Mijovilovich, A.; Petrick, S.; Saragovi, C.

    2003-06-01

    Particle-size fractions (∅ = mean diameter, 5-2 μm, 2-1 μm, and <1 μm) from the Ap horizon of an Entic Haplustoll from Argentina were treated with the selective-dissolution techniques ammonium oxalate (OX), dithionite-citrate-bicarbonate (DCB), NaOH, and Na-pyrophosphate (PY), and studied by X-ray powder diffraction (XRD) and 57Fe Mössbauer spectroscopy (MS). Quartz, feldspar, smectite, illite and interstratified illite-smectite are the dominant minerals whereas Fe oxides and oxy-hydroxides are present in low concentration but increase as particle size decreases. Poorly crystallized oxides (highly Al-substituted hematite and goethite) amounts are lower, comparable to or slightly higher than the hematite amounts in the ∅ = 5-2 μm, 2-1 μm and <1 μm fractions respectively. This hematite is well crystallized but presents some degree of Al-substitution. Magnetite/maghemite was identified in the 2-1 μm fraction. Paramagnetic Fe3+ and Fe2+ are associated to the clay minerals and/or hydroxyl-interlayered 2:1 type material present; part of this Fe3+ is located in the hydroxy-interlayers its amount being higher in the smallest fraction. Any possible changes after the PY and NaOH treatments were not detected by MS.

  1. Insight into magnetic, ferroelectric and elastic properties of strained BiFeO3 thin films through Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Agbelele, A.; Sando, D.; Infante, I. C.; Carrétéro, C.; Jouen, S.; Le Breton, J.-M.; Barthélémy, A.; Dkhil, B.; Bibes, M.; Juraszek, J.

    2016-07-01

    We have studied the magnetic order of highly strained (001)-oriented BiFeO3 (BFO) thin films using 57Fe Conversion Electron Mössbauer Spectrometry. From 90 K to 620 K the films exhibit a collinear antiferromagnetic structure, in contrast with the cycloidal structure observed in bulk BFO. Moreover, we find that both the planar magnetic anisotropy for compressive strain and out-of-plane anisotropy for tensile strain persist from 90 K up to the Néel temperature (TN), which itself shows only a weak strain dependence. An analysis of the line asymmetry of the paramagnetic doublet for temperatures above TN is used to reveal the strain-dependent rotation of the polarization direction, consistent with previous observations. Our results show that the lattice dynamics in BFO films are strongly strain-dependent, offering avenues toward acoustic phonon devices. Finally, we use the versatility of Mössbauer spectroscopy technique to reveal various multi-property features including magnetic states, polarization direction and elastic strain.

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

    DOE PAGESBeta

    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

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. Beam-foil spectroscopy

    SciTech Connect

    Berry, H.G.; Hass, M.

    1982-01-01

    A brief survey of some applications of beam-foil spectroscopy is presented. Among the topics covered are lifetime and magnetic moment measurements, nuclear alignment, and polarized light production. (AIP)

  8. Spectroscopy - so what?

    NASA Astrophysics Data System (ADS)

    Stanley, Matthew

    2010-07-01

    The development of astronomical spectroscopy allowed amazing achievements in investigating the composition and motion of celestial bodies. But even beyond specific measurements and results, the fruitfulness and practice of spectroscopy had important ramifications on a more abstract level. This paper will discuss ways in which spectroscopy inspired or boosted new theories of the atom, life, and the Universe; redrew the boundaries among scientific disciplines; demonstrated the unity of terrestrial and celestial physical laws; changed what counted as scientific knowledge; and even revealed divine mysteries. Scientists and science writers from the first half-century of astronomical spectroscopy will be discussed, including James Clerk Maxwell, William Crookes, John Tyndall, Agnes Clerke, William Huggins and Norman Lockyer.

  9. Spectroscopy - so what?

    NASA Astrophysics Data System (ADS)

    Stanley, Matthew

    2010-01-01

    The development of astronomical spectroscopy allowed amazing achievements in investigating the composition and motion of celestial bodies. But even beyond specific measurements and results, the fruitfulness and practice of spectroscopy had important ramifications on a more abstract level. This paper will discuss ways in which spectroscopy inspired or boosted new theories of the atom, life, and the universe; redrew the boundaries among scientific disciplines; demonstrated the unity of terrestrial and celestial physical laws; changed what counted as scientific knowledge; and even revealed divine mysteries. Scientists and science writers from the first half-century of astronomical spectroscopy will be discussed, including James Clerk Maxwell, William Thomson (Lord Kelvin), John Tyndall, Agnes Clerke, William Huggins, and Norman Lockyer.

  10. 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)

  11. EDITORIAL: Nano Meets Spectroscopy Nano Meets Spectroscopy

    NASA Astrophysics Data System (ADS)

    Birch, David J. S.

    2012-08-01

    The multidisciplinary two-day Nano Meets Spectroscopy (NMS) event was held at the National Physical Laboratory (NPL), Teddington, UK, in September 2011. The event was planned from the outset to be at the interface of several areas—in particular, spectroscopy and nanoscience, and to bring together topics and people with different approaches to achieving common goals in biomolecular science. Hence the meeting cut across traditional boundaries and brought together researchers using diverse techniques, particularly fluorescence and Raman spectroscopy. Despite engaging common problems, these techniques are frequently seen as mutually exclusive with the two communities rarely interacting at conferences. The meeting was widely seen to have lived up to its billing in good measure. It attracted the maximum capacity of ~120 participants, including 22 distinguished speakers (9 from outside the UK), over 50 posters and a vibrant corporate exhibition comprising 10 leading instrument companies and IOP Publishing. The organizers were Professor David Birch (Chair), Dr Karen Faulds and Professor Duncan Graham of the University of Strathclyde, Professor Cait MacPhee of the University of Edinburgh and Dr Alex Knight of NPL. The event was sponsored by the European Science Foundation, the Institute of Physics, the Royal Society of Chemistry, NPL and the Scottish Universities Physics Alliance. The full programme and abstracts are available at http://sensor.phys.strath.ac.uk/nms/program.php. The programme was quite ambitious in terms of the breadth and depth of scope. The interdisciplinary and synergistic concept of 'X meets Y' played well, cross-fertilization between different fields often being a source of inspiration and progress. Fluorescence and Raman spectroscopy provided the core, but the meeting had little repetition and also attracted contributions on more specialist techniques such as CARS, super-resolution, single molecule and chiral methods. In terms of application the

  12. 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.

  13. Hadron spectroscopy---Conclusions

    SciTech Connect

    Landua, R.

    1995-07-10

    The session on hadron spectroscopy covered a wide range of new results on the light and heavy meson spectrum. The discovery of three new scalar mesons at LEAR may be crucial for our understanding of the scalar nonet and the possible existence of exotic scalar states. An outlook on the prospects of hadron spectroscopy is given. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  14. 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.

  15. 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.

  16. X-ray diffraction and Mössbauer spectroscopy studies of LiFe 0.5Ti 1.5O 4 - A new primitive cubic ordered spinel

    NASA Astrophysics Data System (ADS)

    Avdeev, Georgi; Petrov, Kostadin; Mitov, Ivan

    2007-12-01

    LiFe 0.5Ti 1.5O 4 was synthesized by solid-state reaction carried out at 900 °C in flowing argon atmosphere, followed by rapid quenching of the reaction product to room temperature. The compound has been characterized by X-ray powder diffraction (XRD) and 57Fe Mössbauer effect spectroscopy (MES). It crystallizes in the space group P4 332, a = 8.4048(1) Å. Results from Rietveld structural refinement indicated 1:3 cation ordering on the octahedral sites: Li occupies the octahedral (4 b) sites, Ti occupies the octahedral (12 d) sites, while the tetrahedral (8 c) sites have mixed (Fe/Li) occupancy. A small, about 5%, inversion of Fe on the (4 b) sites has been detected. The MES data is consistent with cation distribution and oxidation state of Fe, determined from the structural data. The title compound is thermally unstable in air atmosphere. At 800 °C it transforms to a mixture of two Fe 3+ containing phases - a face centred cubic spinel Li (1+ y)/2 Fe (5-3 y)/2 Ti yO 4 and a Li ( z-1)/2 Fe (7-3 z)/2 Ti zO 5 - pseudobrookite. The major product of thermal treatment at 1000 °C is a ramsdellite type lithium titanium iron(III) oxide, accompanied by traces of rutile and pseudobrookite.

  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. 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.

  19. 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.

  20. 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.

  1. Gradient enhanced spectroscopy

    NASA Astrophysics Data System (ADS)

    van Zijl, Peter C.; Hurd, Ralph E.

    2011-12-01

    This paper provides a brief overview of the personal recollections of the authors regarding their contributions to the introduction of shielded gradient technology into NMR spectroscopy during the late 1980s and early 1990s. It provides some background into early probe design and details some of the early technical progress with the use of shielded magnetic field gradients for coherence selection in high resolution NMR and describes the developments at General Electric, the National Institutes of Health, Georgetown University and Johns Hopkins University School of Medicine that ultimately led to this technology becoming commonplace in modern NMR spectroscopy. Most of this early technical work was published in the Journal of Magnetic Resonance.

  2. Infrared spectroscopy of stars

    NASA Technical Reports Server (NTRS)

    Merrill, K. M.; Ridgway, S. T.

    1979-01-01

    This paper reviews applications of IR techniques in stellar classification, studies of stellar photospheres, elemental and isotopic abundances, and the nature of remnant and ejected matter in near-circumstellar regions. Qualitative IR spectral classification of cool and hot stars is discussed, along with IR spectra of peculiar composite star systems and of obscured stars, and IR characteristics of stellar populations. The use of IR spectroscopy in theoretical modeling of stellar atmospheres is examined, IR indicators of stellar atmospheric composition are described, and contributions of IR spectroscopy to the study of stellar recycling of interstellar matter are summarized. The future of IR astronomy is also considered.

  3. Magnetic circular dichroism spectroscopy.

    PubMed

    Hales, Brian J

    2011-01-01

    Being able to probe the structure and energy levels of metal ions in biological systems is an important goal of bioinorganic scientists. Several of the techniques used rely on the paramagnetic property of certain oxidation states of metal ions. MCD spectroscopy is one of those techniques and represents an effective way of obtaining structure/electronic information of paramagnetic metal ions. The basics of this technique are discussed along with examples of how MCD spectroscopy has been successfully used to elucidate the metal clusters of Nif proteins from nitrogen-fixing bacteria. PMID:21833870

  4. Terrestrial-Imaging Spectroscopy

    NASA Technical Reports Server (NTRS)

    Vane, Gregg A.; Goetz, Alexander F. H.

    1990-01-01

    Report reviews history and state of art of terrestrial imaging spectroscopy. Discusses history, design, and performance of Airborne Imaging Spectrometer (AIS), which is pioneering sensor for terrestrial high-resolution remote sensing. Also discusses recent developments described in literature of imaging spectroscopy from three points of view: techniques for handling and analysis of spectral-image data, geological research, and botanical research. This field encompasses use of airborne and spaceborne imaging spectrometers to generate specialized maps for use in agriculture, geology, ecology, and related disciplines.

  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. 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.

  7. 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. PMID:26835898

  8. 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.

  9. High voltage electron microscopy of lunar samples

    NASA Technical Reports Server (NTRS)

    Fernandez-Moran, H.

    1973-01-01

    Lunar pyroxenes from Apollo 11, 12, 14, and 15 were investigated. The iron-rich and magnesium-rich pyroxene specimens were crushed to a grain size of ca. 50 microns and studied by a combination of X-ray and electron diffraction, electron microscopy, 57 Fe Mossbauer spectroscopy and X-ray crystallography techniques. Highly ordered, uniform electron-dense bands, corresponding to exsolution lamellae, with average widths of ca. 230A to 1000A dependent on the source specimen were observed. These were?qr separated by wider, less-dense interband spacings with average widths of ca. 330A to 3100A. In heating experiments, splitting of the dense bands into finer structures, leading finally to obliteration of the exsolution lamellae was recorded. The extensive exsolution is evidence for significantly slower cooling rates, or possibly annealing, at temperatures in the subsolidus range, adding evidence that annealing of rock from the surface of the moon took place at ca. 600 C. Correlation of the band structure with magnetic ordering at low temperatures and iron clustering within the bands was studied.

  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. Enantiodiscrimination by NMR spectroscopy.

    PubMed

    Uccello-Barretta, Gloria; Balzano, Federica; Salvadori, Piero

    2006-01-01

    The analysis of enantiorecognition processes involves the detection of enantiomeric species as well as the study of chiral discrimination mechanisms. In both fields Nuclear Magnetic Resonance (NMR) spectroscopy plays a fundamental role, providing several tools, based on the use of suitable chiral auxiliaries, for observing distinct signals of enantiomers and for investigating the complexation phenomena involved in enantiodiscrimination processes. PMID:17100610

  12. 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…

  13. 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.

  14. 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

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

    DOE PAGESBeta

    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

  16. 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.

  17. 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

  18. 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.

  19. Raman spectroscopy of composites

    SciTech Connect

    Young, R.J.; Andrews, M.C.; Yang, X.; Huang, Y.L.; Gu, X.; Day, R.J.

    1994-12-31

    It is demonstrated that Raman Spectroscopy can be used to follow the micromechanics of the deformation of high-performance fibers within composites. The technique can be applied to a wide range of fiber systems including aramids, carbon and ceramic (using fluorescence spectroscopy) fibers. Well-defined Raman spectra are obtained and the position of the Raman bands shift on the application of stress or strain. It is possible to determine the point-to-point variation of strain along an individual fiber inside a transparent matrix under any general state of stress or strain. Examples are given of the use of the technique to study a variety of phenomena in a wide range of composite systems. The phenomena investigated include thermal stresses, fiber/matrix adhesion, matrix yielding for both fragmentation and pull-out tests. The systems studied include aramid/epoxy, carbon/epoxy and ceramic-fiber/glass composites.

  20. Raman spectroscopy in astrobiology.

    PubMed

    Jorge Villar, Susana E; Edwards, Howell G M

    2006-01-01

    Raman spectroscopy is proposed as a valuable analytical technique for planetary exploration because it is sensitive to organic and inorganic compounds and able to unambiguously identify key spectral markers in a mixture of biological and geological components; furthermore, sample manipulation is not required and any size of sample can be studied without chemical or mechanical pretreatment. NASA and ESA are considering the adoption of miniaturised Raman spectrometers for inclusion in suites of analytical instrumentation to be placed on robotic landers on Mars in the near future to search for extinct or extant life signals. In this paper we review the advantages and limitations of Raman spectroscopy for the analysis of complex specimens with relevance to the detection of bio- and geomarkers in extremophilic organisms which are considered to be terrestrial analogues of possible extraterrestial life that could have developed on planetary surfaces. PMID:16456933

  1. 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.

  2. Inelastic electron tunneling spectroscopy

    NASA Technical Reports Server (NTRS)

    Khanna, S. K.; Lambe, J.

    1983-01-01

    Inelastic electron tunneling spectroscopy is a useful technique for the study of vibrational modes of molecules adsorbed on the surface of oxide layers in a metal-insulator-metal tunnel junction. The technique involves studying the effects of adsorbed molecules on the tunneling spectrum of such junctions. The data give useful information about the structure, bonding, and orientation of adsorbed molecules. One of the major advantages of inelastic electron tunneling spectroscopy is its sensitivity. It is capable of detecting on the order of 10 to the 10th molecules (a fraction of a monolayer) on a 1 sq mm junction. It has been successfully used in studies of catalysis, biology, trace impurity detection, and electronic excitations. Because of its high sensitivity, this technique shows great promise in the area of solid-state electronic chemical sensing.

  3. 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.

  4. Two dimensional NMR spectroscopy

    SciTech Connect

    Schram, J.; Bellama, J.M.

    1988-01-01

    Two dimensional NMR represents a significant achievement in the continuing effort to increase solution in NMR spectroscopy. This book explains the fundamentals of this new technique and its analytical applications. It presents the necessary information, in pictorial form, for reading the ''2D NMR,'' and enables the practicing chemist to solve problems and run experiments on a commercial spectrometer by using the software provided by the manufacturer.

  5. 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.

  6. New defect spectroscopies

    NASA Astrophysics Data System (ADS)

    Beling, C. D.

    2002-06-01

    This paper will review progress being made on developing more defect selective forms of positron annihilation spectroscopy (PAS) at the University of Hong Kong. The first of these, positron deep-level transient spectroscopy (PDLTS), parallels conventional deep-level transient spectroscopy (DLTS) except that the positron is used as the probe, either to tell if the defects have vacancies attached to their microstructure (type I PDLTS) or as a simple electric field probe (type II PDLTS). It is shown the more important type I PDLTS has an intrinsic problem brought about by the high donor densities required to operate electrical trap filling. The problem—namely fast positron drift out of the active deep-level region into the reverse biased junction—is suggested as having two solutions. The first is to move to higher positron beam intensities and take spectra of 10 9 events. The second is that by using lower dopant densities (<10 15 cm -3) deep levels may be filled by inter-band optical excitation thus forming the workable technique positron optical (PO)-DLTS. Other techniques briefly considered in this paper are deconvoluted-coincidence Doppler broadening spectroscopy (CDBS) and Fourier transform (FT)-CDBS. Such are seen from a different perspective than most contemporary works, which tend to concentrate on the high momentum region. It is pointed out that the additional root-of-two improvement in hardware resolution and the factor of three improvement gained through deconvolution, can produce final effective resolutions similar to ACAR. Moreover, since in deconvolution, the natural space for regularized solutions is "real crystal space"—it is suggested that the autocorrelation function B2 γ( r) be taken as the experimental CDBS data—not just because it provides easier visualization,—but because data in this form lies directly on the crystal lattice.

  7. Charm Baryon Spectroscopy

    NASA Astrophysics Data System (ADS)

    Chistov, R.

    2016-02-01

    B-factories Belle and BaBar during its operation made not only measurements connected with B-meson decays but also numerous observation and measurements in charm physics. In particular, their results on charm baryon decays and spectroscopy have enlarged and enriched the current picture of heavy flavour hadrons. In this talk we overview current status of charm baryons and their excited states.

  8. SME: Spectroscopy Made Easy

    NASA Astrophysics Data System (ADS)

    Valenti, J. A.; Piskunov, N.

    2012-02-01

    Spectroscopy Made Easy (SME) is IDL software and a compiled external library that fits an observed high-resolution stellar spectrum with a synthetic spectrum to determine stellar parameters. The SME external library is available for Mac, Linux, and Windows systems. Atomic and molecular line data formatted for SME may be obtained from VALD. SME can solve for empirical log(gf) and damping parameters, using an observed spectrum of a star (usually the Sun) as a constraint.

  9. $B$ spectroscopy at Tevatron

    SciTech Connect

    Kravchenko, I.

    2006-05-01

    Recent results on heavy flavor spectroscopy from the CDF and D0 experiments are reported in this contribution. Using up to 1 fb{sup -1} of accumulated luminosity per experiment, properties of X(3872), excited B** states, and the B{sub c} meson are measured. Also included are measurements of production rates for ground state b hadrons in p{bar p} collisions.

  10. Dielectric spectroscopy of polyaniline

    SciTech Connect

    Calleja, R.D.; Matveeva, E.M.

    1993-12-31

    Polyaniline films (PANI) are being considered as attractive new galvanic sources, electrochromic displays, chemical sensors, etc. So far much work has been done to study their optical, electrochemical and electrical properties. However, there are still doubts about the basic electric conductivity mechanisms of PANI. The aim of this paper is to study the influence of water molecules and acid anions on the properties of PANI films by dielectric spectroscopy.

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. Stellar dynamic spectroscopy

    NASA Astrophysics Data System (ADS)

    Bastian, T. S.; Dulk, G. A.; Bookbinder, J. A.

    The dynamic spectrum, a three dimensional record of the radio intensity as a function both of time and frequency, has long been used as a probe of plasma processes in the solar corona. Beginning with the work of Wild and McCready (1950) dynamic spectroscopy has been used to distinguish between the multitude of radio wave emitting phenomena which occur in the solar corona and to infer the physical mechanisms responsible. Stellar dynamic spectroscopy has always been a tantalizing prospect. The vast body of experience with solar dynamic spectroscopy would prove invaluable in interpreting stellar dynamic spectra. Further, the new parameter regimes presented by stellar coronas would allow further insight to be gained in the physical processes at work in stellar coronas. Recently, Bastian and Bookbinder (1987) used the Very Large Array The National Radio Astronomy Observatory is operated by Associated Universities, Inc. under contract with the National Science Foundation. in spectral line mode at 1.4 GHz with a bandwidth of 50 MHz to obtain the first dynamic spectra of nearby flare stars. The spectral resolution was 3.125 MHz and the temporal resolution was 5 s. While the relative bandwidth was less than ideal (δν/ν ˜ 5%), the spectra so obtained were sufficient to show the presence of narrowband structure in a radio outburst from the well-known dMe flare star UV Ceti. Several efforts are now underway to obtain stellar dynamic spectra, of both RS CVn binaries and dMe flare stars, with higher degrees of spectral and temporal resolution. Among these are use of a 1024 channel correlator with the 1000' telescope at Arecibo and use of the Berkeley Fast Pulsar Search Machine (Kulkarni et al. 1984) with the Green Bank 140' telescope.

  16. Renaissance in diatomic spectroscopy

    NASA Astrophysics Data System (ADS)

    Tiemann, Eberhard; Knöckel, Horst

    2013-07-01

    New technological developments resulted in several periods of renaissances of spectroscopy, the period on microwaves and later the period with lasers, and led to developments of new models for description of observations, thus to understanding the underlying physics. Today, the exciting period of cold molecules has started and demands for new data from molecular spectroscopy and completion in their modeling. This contribution will describe the status of understanding before the era of "cold molecules" and note open questions when entering the field of cold molecules. Because large varieties of cold molecules are studied, like deeply bound (about 1eV) or very weakly bound (less than 10-7 eV) ones, the spectroscopic tools and the theoretical descriptions have to be largely extended. We will describe recent success regarding different molecules of diatomic alkaliand alkaline-earth atoms as examples and will show how to use the often huge body of spectroscopic data for obtaining predictions for optimal paths to produce ultra cold molecules in a desired molecular state. It is very exciting to combine the results of spectroscopy and of studies of ultra cold ensembles which are influenced by their atom-to-molecule changeover. This allows already to complete the understanding of the electronic structure of atom pairs from infinite internuclear separation down to the range of strongly overlapping electronic distribution in some cases (e.g. KRb or KCs). However, enhanced effort is required for describing quantitatively the discoveries, already published or expected, like a contribution to the field hunting for signatures of time dependence of fundamental constants. For molecules with their rotational and vibrational motion the ratio of electron mass-to-nuclear mass as a fundamental constant shows up as an obvious attraction for spectroscopic studies.

  17. NEUROFEEDBACK USING FUNCTIONAL SPECTROSCOPY

    PubMed Central

    Hinds, Oliver; Wighton, Paul; Tisdall, M. Dylan; Hess, Aaron; Breiter, Hans; van der Kouwe, André

    2014-01-01

    Neurofeedback based on real-time measurement of the blood oxygenation level-dependent (BOLD) signal has potential for treatment of neurological disorders and behavioral enhancement. Commonly employed methods are based on functional magnetic resonance imaging (fMRI) sequences that sacrifice speed and accuracy for whole-brain coverage, which is unnecessary in most applications. We present multi-voxel functional spectroscopy (MVFS): a system for computing the BOLD signal from multiple volumes of interest (VOI) in real-time that improves speed and accuracy of neurofeedback. MVFS consists of a functional spectroscopy (FS) pulse sequence, a BOLD reconstruction component, a neural activation estimator, and a stimulus system. The FS pulse sequence is a single-voxel, magnetic resonance spectroscopy sequence without water suppression that has been extended to allow acquisition of a different VOI at each repetition and real-time subject head motion compensation. The BOLD reconstruction component determines the T2* decay rate, which is directly related to BOLD signal strength. The neural activation estimator discounts nuisance signals and scales the activation relative to the amount of ROI noise. Finally, the neurofeedback system presents neural activation-dependent stimuli to experimental subjects with an overall delay of less than 1s. Here we present the MVFS system, validation of certain components, examples of its usage in a practical application, and a direct comparison of FS and echo-planar imaging BOLD measurements. We conclude that in the context of realtime BOLD imaging, MVFS can provide superior accuracy and temporal resolution compared with standard fMRI methods. PMID:24999293

  18. Fiber enhanced Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Frosch, T.; Yan, D.; Hanf, S.; Popp, J.

    2014-05-01

    Fiber enhanced Raman sensing is presented for versatile and extremely sensitive analysis of pharmaceutical drugs and biogenic gases. Elaborated micro-structured optical fibers guide the light with very low losses within their hollow core and provide at the same time a miniaturized sample container for the analytes. Thus, fiber enhanced Raman spectroscopy (FERS) allows for chemically selective detection of minimal sample amounts with high sensitivity. Two examples are presented in this contribution: (i) the detection of picomolar concentrations of pharmaceutical drugs; and (ii) the analysis of biogenic gases within a complex mixture of gases with analytical sensitivities in the ppm range.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. Vibronic Spectroscopy of Phenylvinylnitrile

    NASA Astrophysics Data System (ADS)

    Mehta, Deepali N.; Navotnaya, Polina; Parobek, Alex; Clayton, Rachel; Vara, Vanesa Vaquero; Zwier, Timothy S.

    2012-06-01

    This talk will present results of a gas phase, jet-cooled vibronic spectroscopy study of phenylvinylnitrile (C_6H_5-CH=CH-C≡N, PVN). This molecule is seen as a potential photochemical precursor to nitrogen heteroaromatics, and therefore is particularly relevant to Titan's atmosphere, where nitriles exist in significant abundance. As a first step towards such photochemical studies, a fluorescence excitation spectrum of PVN spanning the range 33,500-35,840 cm- 1 (298.5-279.0 nm) has been recorded, and dispersed fluorescence spectra that uncover and characterize the vibronic activity have been acquired. The S_0-S_1 origin is a prominent band located at 33,826 cm- 1, and the excitation spectrum is characterized by significant vibronic activity leading to spectral congestion. Hole-burning in the region of 33,500-35,840 cm- 1 has also been completed, and the excitation spectrum can be assigned solely to (E)-PVN. As PVN is the nitrogen-containing counterpart to phenylvinylacetylene (PVA), a comparison of the vibronic spectroscopy between the two molecules will be made.

  4. 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

  5. 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.

  6. 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.

  7. Transient infrared emission spectroscopy

    SciTech Connect

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

    1989-04-01

    Transient infrared emission spectroscopy (TIRES) is a new method that produces analytically useful emission spectra from optically thick, solid samples by greatly reducing self-absorption of emitted radiation. The method reduces self-absorption by creating a thin, short-lived, heated layer at the sample surface and collecting the transient emission from this layer. The technique requires no sample preparation and may be applied to both moving and stationary samples. The single-ended, noncontact TIRES measurement geometry is ideal for on-line and other remote-sensing applications. TIRES spectra acquired via a Fourier transform infrared spectrometer on moving samples of coal, plastic, and paint are presented and compared to photoacoustic absorption spectra of these materials. The TIRES and photoacoustic results are in close agreement as predicted by Kirchhoff's law.

  8. Dielectric relaxation time spectroscopy.

    PubMed

    Paulson, K S; Jouravleva, S; McLeod, C N

    2000-11-01

    A new mathematical method is developed to recover the permittivity relaxation spectrum of living tissue from measurements of the real and imaginary parts of the impedance. Aiming to derive information about electrical properties of living tissue without the prior selection of any impedance model, the procedure calculates the relaxation time distribution. It provides new characteristic independent parameters: time constants, their distribution, and the amplitudes of the associated dispersion. As the beta-dispersion is the most important in the area of electrical impedance spectroscopy of tissue, the paper gives an estimate of the essential frequency range to cover the whole relaxation spectrum in that area. Results are presented from both simulation and known lumped--constant element circuit. PMID:11077745

  9. Broadband local dielectric spectroscopy

    NASA Astrophysics Data System (ADS)

    Labardi, M.; Lucchesi, M.; Prevosto, D.; Capaccioli, S.

    2016-05-01

    A route to extend the measurement bandwidth of local dielectric spectroscopy up to the MHz range has been devised. The method is based on a slow amplitude modulation at a frequency Ω of the excitation field oscillating at a frequency ω and the coherent detection of the modulated average electric force or force gradient at Ω. The cantilever mechanical response does not affect the measurement if Ω is well below its resonant frequency; therefore, limitations on the excitation field frequency are strongly reduced. Demonstration on a thin poly(vinyl acetate) film is provided, showing its structural relaxation spectrum on the local scale up to 45 °C higher than glass temperature, and nanoscale resolution dielectric relaxation imaging near conductive nanowires embedded in the polymer matrix was obtained up to 5 MHz frequency, with no physical reason to hinder further bandwidth extension.

  10. Femtosecond Stimulated Raman Spectroscopy.

    PubMed

    Dietze, Daniel R; Mathies, Richard A

    2016-05-01

    Femtosecond stimulated Raman spectroscopy (FSRS) is an ultrafast nonlinear optical technique that provides vibrational structural information with high temporal (sub-50 fs) precision and high spectral (10 cm(-1) ) resolution. Since the first full demonstration of its capabilities ≈15 years ago, FSRS has evolved into a mature technique, giving deep insights into chemical and biochemical reaction dynamics that would be inaccessible with any other technique. It is now being routinely applied to virtually all possible photochemical reactions and systems spanning from single molecules in solution to thin films, bulk crystals and macromolecular proteins. This review starts with an historic overview and discusses the theoretical and experimental concepts behind this technology. Emphasis is put on the current state-of-the-art experimental realization and several variations of FSRS that have been developed. The unique capabilities of FSRS are illustrated through a comprehensive presentation of experiments to date followed by prospects. PMID:26919612

  11. Quantitative velocity modulation spectroscopy.

    PubMed

    Hodges, James N; McCall, Benjamin J

    2016-05-14

    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. PMID:27179476

  12. Terahertz Spectroscopy of Polymers

    NASA Astrophysics Data System (ADS)

    Jansen, Christian; Wietzke, Steffen; Koch, Martin

    Polymers and terahertz (THz) waves form a fruitful symbiosis: on the one hand, non-polar plastics serve as base materials for THz optics as they exhibit low absorption and excellent machinability. On the other hand, THz time-domain spectroscopy (TDS) grants access to unique information about the molecular structure and morphology of polymers, offering an immense portfolio of interesting scientific opportunities. Furthermore, contact-free, non-destructive testing with non-ionizing THz radiation could evolve as a valuable addition to or substitution of ultrasonic and X-ray characterization, especially in quality inspection and process control applications. This chapter aims to give an overview of recent activities in this field, covering both the spectroscopic analysis of polymers with THz waves as well as the non-destructive testing of plastic components with THz systems.

  13. Meson Spectroscopy at Clas

    NASA Astrophysics Data System (ADS)

    Battaglieri, Marco

    The CLAS Collaboration is operating the CLAS detector at theThomas Jefferson National Laboratory (JLab) in USA. The unique combination of the detector large acceptance and high intensity of the continuous electron beam of CEBAF has opened the way to a comprehensive study of the hadrons structure in a kinematic domain between nuclear and particle physics. Meson spectroscopy plays a central role in the physics program of the Collaboration. Many exclusive channels have been studied with virtual and real photon beams in a wide kinematic domain providing key information about the hadron structure as well as the reactions dynamic. In this contribution, the rich physics program covered by present and future experiments will be reviewed.

  14. Near Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Jha, Shyam N.

    The discovery of near-infrared energy is ascribed to Herschel in the nineteenth century; the first industrial application however began in the 1950s. Initially near infrared spectroscopy (NIRS) was used only as an add-on unit to other optical devices, that used other wavelengths such as ultraviolet (UV), visible (Vis), or mid-infrared (MIR) spectrometers. In the 1980s, a single unit, stand-alone NIRS system was made available, but the application of NIRS was focused more on chemical analysis. With the introduction of light-fibre optics in the mid 1980s and the monochromator-detector developments in early 1990s, NIRS became a more powerful tool for scientific research. This optical method can be used in a number of fields of science including physics, physiology, medicine and food.

  15. 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.

  16. 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.

  17. Laser ionization mass spectroscopy

    NASA Astrophysics Data System (ADS)

    Bernardez, Luis J., III; Siekhaus, W. J.

    1989-10-01

    Laser Ionization Mass Spectroscopy (LIMS) is a simple technique with several advantages and disadvantages over standard mass spectroscopy techniques. The LIMS technique uses a laser to vaporize a small portion of a sample. The vapor from the sample consists of a mixture of charged and neutral atoms or fragments. Using electrostatic grids, the ions (positive or negative) are given a known amount of kinetic energy and sent down a time-of-flight tube. The time it takes the ions to travel down the flight tube is recorded. Knowing the ions' energy, the length of the flight tube, and the time it takes the ions to travel that distance, the masses of the ions can be calculated. The instrument used is a LIMA 3 made by Cambridge Mass Spectrometry. It has a Quanta Ray DCR-11 Nd:YAG laser, which was frequency-quadrupled to 266 nm. The laser spot size is typically between 2 and 5 microns in diameter and the pulse width is between 5 and 10 nanoseconds. The energy of the laser is continually variable between 0.1 and 3.0 millijoules. The detector is a 17-stage venetian-blind multiplier made by Thorn EMI. The analysis is carried out under vacuum, usually between 10(exp -8) and 10(exp -9) Torr. The LIMA 3 has several useful features such as: a He-Ne pilot laser used to target the Nd:YAG laser; a microscope (which is used to view the sample through the laser optics); and a precision sample stage for accurate sample alignment.

  18. 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.

  19. Optical frequency comb spectroscopy.

    PubMed

    Foltynowicz, A; Masłowski, P; Ban, T; Adler, F; Cossel, K C; Briles, T C; Ye, J

    2011-01-01

    Optical frequency combs offer enormous potential in the detection and control of atoms and molecules by combining their vast spectral coverage with the extremely high spectral resolution of each individual comb component. Sensitive and multiplexed trace gas detection via cavity-enhanced direct frequency comb spectroscopy has been demonstrated for various molecules and applications; however, previous demonstrations have been confined to the visible and near-infrared wavelength range. Future spectroscopic capabilities are created by developing comb sources and spectrometers for the deep ultraviolet and mid-infrared spectral regions. Here we present a broadband high resolution mid-infrared frequency comb-based Fourier transform spectrometer operating in the important molecular fingerprint spectral region of 2100-3600 cm(-1) (2.8-4.8 microm). The spectrometer, employing a multipass cell, allows simultaneous acquisition of broadband, high resolution spectra (down to 0.0035 cm(-1) of many molecular species at concentrations in the part-per-billion range in less than 1 min acquisition time. The system enables precise measurements of concentration even in gas mixtures that exhibit continuous absorption bands. The current sensitivity, 2 x 10(-8) cm(-1) Hz-1/2 per spectral element, is expected to improve by two orders of magnitude with an external enhancement cavity. We have demonstrated this sensitivity increase by combining cavity-enhanced frequency comb spectroscopy with a scanning Fourier transform spectrometer in the near-infrared region and achieving a sensitivity of 4.7 x 10(-10) cm(-1) Hz(-1/2). A cavity-enhanced mid-infrared comb spectrometer will provide a near real-time, high sensitivity, high resolution, precisely frequency calibrated, broad bandwidth system for many applications. PMID:22457942

  20. Laser ionization mass spectroscopy

    SciTech Connect

    Bernardez, L.J. III; Siekhaus, W.J. )

    1989-10-01

    Laser Ionization Mass Spectroscopy (LIMS) is a simple technique with several advantages and disadvantages over standard mass spectroscopy techniques. The LIMS technique uses a laser to vaporize a small portion of a sample. The vapor from the sample consists of a mixture of charged and neutral atoms or fragments. Using electrostatic grids, the ions (positive or negative) are given a known amount of kinetic energy and sent down a time-of-flight tube. The time it takes the ions to travel down the flight tube is recorded. Knowing the ions' energy, the length of the flight tube, and the time it takes the ions to travel that distance, the masses of the ions can be calculated. The instrument we use is a LIMA 3 made by Cambridge Mass Spectrometry. It has a Quanta Ray DCR-11 Nd:YAG laser, which we frequency-quadruple to 266 nm. The laser spot size is typically between 2 and 5 microns in diameter and the pulse width is between 5 and 10 nanoseconds. The energy of the laser is continually variable between 0.1 and 3.0 millijoules. The detector is a 17-stage venetian-blind multiplier made by Thorn EMI. The analysis is carried out under vacuum, usually between 10{sup {minus}8} and 10{sup {minus}9} Torr. The LIMA 3 has several useful features such as: a He-Ne pilot laser used to target the Nd:YAG laser; a microscope (which is used to view the sample through the laser optics); and a precision sample stage for accurate sample alignment. 6 figs., 1 tab.

  1. Hadron Spectroscopy at Jefferson Laboratory

    SciTech Connect

    Dennis P. Weygand

    2004-08-01

    Recent results on hadron spectroscopy from Jefferson Laboratory's CEBAF Large Acceptance Spectrometer (CLAS) are presented. In particular we present results from the baryon resonance program for both electro- and photo- production. Also, we present very preliminary results on meson spectroscopy in p interactions, and new results on the observation of the exotic baryon, the Theta +.

  2. Scanning Probe Microscopy and Spectroscopy

    NASA Astrophysics Data System (ADS)

    Wiesendanger, Roland

    1994-09-01

    Preface; List of acronyms; Introduction; Part I. Experimental Methods and Theoretical Background of Scanning Probe Microscopy and Spectroscopy: 1. Scanning tunnelling microscopy; 2. Scanning force microscopy; 3. Related scanning probe techniques; Part II. Applications of Scanning Probe Microscopy and Spectroscopy: 4. Condensed matter physics; 5. Chemistry; 6. Organic materials; 7. Metrology and standards; 8. Nanotechnology; References; Index.

  3. 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.

  4. 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…

  5. 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…

  6. 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.

  7. 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

  8. Electrochemical Impedance Spectroscopy

    NASA Astrophysics Data System (ADS)

    Retter, Utz; Lohse, Heinz

    Non-steady-state measuring techniques are known to be extremely suitable for the investigation of the electrode kinetics of more complex electrochemical systems. Perturbation of the electrochemical system leads to a shift of the steady state. The rate at which it proceeds to a new steady state depends on characteristic parameters (reaction rate constants, diffusion coefficients, charge transfer resistance, double-layer capacity). Due to non-linearities caused by the electron transfer, low-amplitude perturbation signals are necessary. The small perturbation of the electrode state has the advantage that the solutions of relevant mathematical equations used are transformed in limiting forms that are normally linear. Impedance spectroscopy represents a powerful method for investigation of electrical properties of materials and interfaces of conducting electrodes. Relevant fields of application are the kinetics of charges in bulk or interfacial regions, the charge transfer of ionic or mixed ionic-ionic conductors, semiconducting electrodes, the corrosion inhibition of electrode processes, investigation of coatings on metals, characterisation of materials and solid electrolyte as well as solid-state devices.

  9. Roaming and Spectroscopy

    NASA Astrophysics Data System (ADS)

    Bowman, Joel

    2014-06-01

    Accurate ab initio theoretical/computational work on dynamics and spectroscopy begins with a potential energy surface (PES). My talk therefore begins with a brief review of progress we have made in developing accurate ab initio global PESs for reaction dynamics. "Roaming" is an unusual alternate pathway to reaction products that was found in the unimolecular dissociation of H_2CO by running roughly 100 000 trajectories on such a PES. The signatures of roaming were seen in the spectroscopic detection of the rotational states of CO correlated with translational energy distribution of the H_2. I will discuss roaming in NO_3 photodissociation to NO+O_2 and give a short history of the topic. In particular I will recount how poor Franck-Condon factors in pioneering LIF detection experiments in 1997 of the low-lying vibrational states of O_2 plus the assumption of a "prior" vibrational distribution led to the wrong conclusions about the O_2 vibrational-state distribution. Later more sophisticated experiments obtained the correct vibrational distribution, which led to the (correct) speculation about roaming in this system. I conclude with some comments about roaming wavefunctions and will wonder aloud about ways to detect wavefunctions spectroscopically. (Roaming wavefunctions have been reported by Hua Guo and co-workers for the MgH_2.)

  10. 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. )

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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

  16. FTIR spectroscopy of borate crystals

    NASA Astrophysics Data System (ADS)

    Kovacs, Laszlo; Beregi, E.; Polgar, K.; Peter, A.

    1999-03-01

    Infrared absorption spectroscopy has been used to study the vibrational modes in various borate crystals, the electronic transitions of Nd3+ ions in NYAB, and the stretching vibration of hydroxyl ions in CLBO crystals.

  17. 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).

  18. X-ray astronomical spectroscopy

    NASA Technical Reports Server (NTRS)

    Holt, S. S.

    1980-01-01

    The current status of the X-ray spectroscopy of celestial X-ray sources, ranging from nearby stars to distant quasars, is reviewed. Particular emphasis is placed on the role of such spectroscopy as a useful and unique tool in the elucidation of the physical parameters of the sources. The spectroscopic analysis of degenerate and nondegenerate stellar systems, galactic clusters and active galactic nuclei, and supernova remnants is discussed.

  19. 3D Spectroscopy in Astronomy

    NASA Astrophysics Data System (ADS)

    Mediavilla, Evencio; Arribas, Santiago; Roth, Martin; Cepa-Nogué, Jordi; Sánchez, Francisco

    2011-09-01

    Preface; Acknowledgements; 1. Introductory review and technical approaches Martin M. Roth; 2. Observational procedures and data reduction James E. H. Turner; 3. 3D Spectroscopy instrumentation M. A. Bershady; 4. Analysis of 3D data Pierre Ferruit; 5. Science motivation for IFS and galactic studies F. Eisenhauer; 6. Extragalactic studies and future IFS science Luis Colina; 7. Tutorials: how to handle 3D spectroscopy data Sebastian F. Sánchez, Begona García-Lorenzo and Arlette Pécontal-Rousset.

  20. 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.

  1. 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

  2. Prediction of the spin transition temperature in Fe(II) one-dimensional coordination polymers: an anion based database.

    PubMed

    Dîrtu, Marinela M; Rotaru, Aurelian; Gillard, Damien; Linares, Jorge; Codjovi, Epiphane; Tinant, Bernard; Garcia, Yann

    2009-08-17

    One-dimensional (1D) coordination polymers of formula [Fe(NH(2)trz)(3)]A.nH(2)O, {A = TiF(6)(2-), n = 0.5 (1) and n = 1 (2); A = ZrF(6)(2-), n = 0.5 (3) and n = 0 (4); A = SnF(6)(2-), n = 0.5 (5) and n = 1 (6); A = TaF(7)(2-), n = 3 (7) and n = 2.5 (8); A = GeF(6)(2-), n = 1 (9) and n = 0.5 (10), NH(2)trz = 4-amino-1,2,4-triazole} have been synthesized, fully characterized, and their spin crossover behavior carefully studied by SQUID magnetometry, Mossbauer spectroscopy, and differential scanning calorimetry. These materials display an abrupt and hysteretic spin transition around 200 K on cooling, as well as a reversible thermochromic effect. Accurate spin transition curves were derived by (57)Fe Mossbauer spectroscopy considering the corrected f factors for the high-spin and low-spin states determined employing the Debye model. The unusual hysteresis width of 3 (28 K), was attributed to a dense hydrogen bonding network involving the ZrF(6)(2-) counteranion and the 1D chains, an organization which is also revealed in [Cu(NH(2)trz)(3)]ZrF(6).H(2)O (11). Trinuclear spin crossover compounds of formula [Fe(3)(NH(2)trz)(10)(H(2)O)(2)](SbF(6))(6).S {S = 1.5CH(3)OH (12), 0.5C(2)H(5)OH (13)} were also obtained. A structural property relationship was derived between the volume of the inserted counteranion and the transition temperature T(1/2) of the 1D chains. Two linear size regimes were identified for monovalent anions (0.04 or= 0.11 nm(3)) with saturation around T(1/2) = 200 K. These characteristics allowed us to derive an anion based database that is of interest for the prediction of the transition temperature of such functional switchable materials. Diffuse reflectivity measurements under hydrostatic pressure for 3,4 combined with calorimetric data allow an estimation of the electrostatic pressure between cationic chains and counteranions in the crystal lattice of these materials. The chain length distribution

  3. Magnetic transition and sound velocities of Fe3C at high pressure

    NASA Astrophysics Data System (ADS)

    Gao, L.; Chen, B.; Wang, J.; Lerche, M.; Zhao, J.; Sturhahn, W.; Ding, Y.; Ding, X.; Scott, H. P.; Bass, J.; Li, J.

    2007-12-01

    Carbon is a candidate light element in the Earth's core. Fe3C (cementite) has the lowest carbon content among all known Fe-C compounds. Under ambient conditions, Fe3C is ferromagnetic. A pressure-induced magnetic transition from a magnetic phase to non-magnetic phase has been found in previous studies; however, there is a controversy concerning the transition pressure. In this study, we carried out synchrotron Mossbauer spectroscopy (SMS) and nuclear resonant inelastic x-ray scattering (NRIXS) studies on Fe3C up to 52 GPa at room temperature at Sector 3 of the Advanced Photon Source (APS), Argonne National Laboratory. The starting material was synthesized from 57Fe-enriched iron powder and graphite powder. X-ray diffraction measurements revealed that the run product contains a non-negligible amount of iron. Our 1 bar SMS spectrum is well fitted by assuming one iron site with a magnetic hyperfine field of 20 T, consistent with that of Fe3C. Above 9.3 GPa our Mossbauer spectra revealed the disappearance of the 20 T site, indicating that Fe3C has lost its magnetism around 9.3 GPa or below. This is consistent with the magnetic transition at pressure of around 10 GPa reported in a Fe K-edge x- ray circular dichroism study (Duman et al., 2005), and is consistent with x-ray emission spectroscopy data (Lin et al., 2004), showing a significantly reduced magnetic moment at 12 GPa. A magnetic to paramagnetic phase transition is also observed at 483 K under room pressure (Wood et al., 2004). The observed magnetic transition under high pressure and high temperature indicates that the ferromagnetic phase is not stable under the Earth's core condition, and that the non-magnetic phase of Fe3C is more applicable to the Earth's core. We have also derived the Debye velocity of the sample from parabolic fitting to the low-energy range of the nuclear resonance inelastic x-ray scattering spectra at ambient condition. Combined with equation of state of Fe3C (Scott et al., 2001, Li et al

  4. 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).

  5. Techniques for inelastic X-ray spectroscopy with μeV - resolution

    NASA Astrophysics Data System (ADS)

    Röhlsberger, R.; Alp, E. E.; Gerdau, E.; Leupold, O.; Quast, K. W.; Rüffer, R.; Sturhahn, W.; Toellner, T. S.; Burkel, E.

    1999-03-01

    We introduce a novel type of spectrometer that provides a μeV bandpass together with a tunability over a few meV. The technique relies on nuclear resonant scattering (Mössbauer effect) of synchrotron radiation at the 14.4-keV resonance of 57Fe. Energy tuning is achieved by the Doppler effect in high-speed rotary motion. The resonantly scattered monochromatic radiation is extracted by a polarization filtering technique or by spatial separation due to the “nuclear lighthouse effect”.

  6. 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.

  7. 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.

  8. Ultrafast infrared spectroscopy in photosynthesis.

    PubMed

    Di Donato, Mariangela; Groot, Marie Louise

    2015-01-01

    In recent years visible pump/mid-infrared (IR) probe spectroscopy has established itself as a key technology to unravel structure-function relationships underlying the photo-dynamics of complex molecular systems. In this contribution we review the most important applications of mid-infrared absorption difference spectroscopy with sub-picosecond time-resolution to photosynthetic complexes. Considering several examples, such as energy transfer in photosynthetic antennas and electron transfer in reaction centers and even more intact structures, we show that the acquisition of ultrafast time resolved mid-IR spectra has led to new insights into the photo-dynamics of the considered systems and allows establishing a direct link between dynamics and structure, further strengthened by the possibility of investigating the protein response signal to the energy or electron transfer processes. This article is part of a Special Issue entitled: Vibrational spectroscopies and bioenergetic systems. PMID:24973600

  9. Force Spectroscopy in Studying Infection.

    PubMed

    Zhou, Zhaokun; Leake, Mark C

    2016-01-01

    Biophysical force spectroscopy tools-for example, optical tweezers, magnetic tweezers, atomic force microscopy-have been used to study elastic, mechanical, conformational and dynamic properties of single biological specimens from single proteins to whole cells to reveal information not accessible by ensemble average methods such as X-ray crystallography, mass spectroscopy, gel electrophoresis and so on. Here, we review the application of these tools on a range of infection-related questions from antibody-inhibited protein processivity to virus-cell adhesion. In each case, we focus on how the instrumental design tailored to the biological system in question translates into the functionality suitable for that particular study. The unique insights that force spectroscopy has gained to complement knowledge learned through population averaging techniques in interrogating biomolecular details prove to be instrumental in therapeutic innovations such as those in structure-based drug design. PMID:27193551

  10. Photoacoustic spectroscopy of condensed matter

    NASA Technical Reports Server (NTRS)

    Somoano, R. B.

    1978-01-01

    Photoacoustic spectroscopy is a new analytical tool that provides a simple nondestructive technique for obtaining information about the electronic absorption spectrum of samples such as powders, semisolids, gels, and liquids. It can also be applied to samples which cannot be examined by conventional optical methods. Numerous applications of this technique in the field of inorganic and organic semiconductors, biology, and catalysis have been described. Among the advantages of photoacoustic spectroscopy, the signal is almost insensitive to light scattering by the sample and information can be obtained about nonradiative deactivation processes. Signal saturation, which can modify the intensity of individual absorption bands in special cases, is a drawback of the method.

  11. 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.

  12. 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

  13. 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

  14. 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.

  15. 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.

  16. 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…

  17. 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.

  18. New Bottomonium Spectroscopy And Transitions

    SciTech Connect

    West, Chris; /SLAC

    2011-12-01

    Recent results in bottomonium spectroscopy are reviewed. Topics include the observation of {Upsilon}(nS) {yields} {eta}{Upsilon}(1S) transitions, energy scans above the {Upsilon}(4S) resonance by the BABAR and Belle experiments, and the recent observation of the {eta}{sub b} by the BABAR experiment.

  19. Polarization spectroscopy of tokamak plasmas

    SciTech Connect

    Wroblewski, D.

    1991-09-01

    Measurements of polarization of spectral lines emitted by tokamak plasmas provide information about the plasma internal magnetic field and the current density profile. The methods of polarization spectroscopy, as applied to the tokamak diagnostic, are reviewed with emphasis on the polarimetry of motional Stark effect in hydrogenic neutral beam emissions. 25 refs., 7 figs.

  20. 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.

  1. 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)

  2. NIR SPECTROSCOPY OF MICROWAVEABLE MEALS

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The potential of near infrared (NIR) spectroscopy for the prediction of total dietary fiber (TDF) in mixed meals was investigated. Meals were prepared for spectral analysis by homogenization only (HO), homogenization and drying (HD), and homogenization, drying and de-fatting (HDF). The NIR spectra ...

  3. 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.

  4. 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)

  5. 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)

  6. Noise Spectroscopy Used in Biology

    NASA Astrophysics Data System (ADS)

    Žacik, Michal

    This thesis contains glossary topic of spectroscopic measurement methods in broad bands of frequency. There is designed experimental measurement method for simple samples and biological samples measurements for noise spectroscopy in frequency range of 0.1 - 6 GHz, using broadband noise generator. There is realized the workplace and the measurement method is verified by measuring on selected samples. Measurements a displayed and analyzed.

  7. HIV detection by optical spectroscopy

    NASA Astrophysics Data System (ADS)

    Joshi, Narahari V.; Doria, M.; Medina, Honorio

    2001-10-01

    Reliable and economical Human Immnodeficiency Virus (HIV) testing was achieved by optical absorption spectroscopy of the core of the hair in the range of 400 nm to 800 nm. In HIV+ patients, extra optical active material is deposited in the core and optical absorption spectra, recorded in polarized radiation reveal special features, which can be used for guidance, detection, monitoring and control.

  8. Surface-Enhanced Raman Spectroscopy.

    ERIC Educational Resources Information Center

    Garrell, Robin L.

    1989-01-01

    Reviews the basis for the technique and its experimental requirements. Describes a few examples of the analytical problems to which surface-enhanced Raman spectroscopy (SERS) has been and can be applied. Provides a perspective on the current limitations and frontiers in developing SERS as an analytical technique. (MVL)

  9. 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)

  10. 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.

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

    PubMed

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

    2007-12-20

    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 approximately 308-310 nm with a resolution of 0.03 nm, even though an extended source (extent of approximately 2x10(-7) m(2) rad(2)) 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. PMID:18091974

  12. 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.

  13. Cryogenic resonant acoustic spectroscopy of bulk materials (CRA spectroscopy).

    PubMed

    Zimmer, Anja; Nawrodt, Ronny; Koettig, Torsten; Neubert, Ralf; Thürk, Matthias; Vodel, Wolfgang; Seidel, Paul; Tünnermann, Andreas

    2007-06-01

    The capability to measure Q factors at cryogenic temperatures enhances the ability to study relaxation processes in solids. Here we present a high-precision cryogenic setup with the ability to measure Q factors of at least 10(9). This level of sensitivity offers new potential for analyzing relaxation processes in solids and for correlating mode shape and relaxation strength. Our improved method of mechanical spectroscopy, cryogenic resonant acoustic spectroscopy of bulk materials, is verified by identifying relaxation processes in low-loss quartz crystals. For the first time, we observe additional damping peaks. The mechanical Q factors of different modes of cylindrical crystalline quartz substrates were measured from 300 down to 6 K. Resonant modes with frequencies between 10 and 325 kHz were excited without contact to the substrates and the ring down of the amplitudes was recorded using an interferometric vibration readout. PMID:17614624

  14. 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

  15. 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

  16. "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)

  17. 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

  18. 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

  19. 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

  20. 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

  1. Raman spectroscopy in halophile research.

    PubMed

    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

  2. Infrared spectroscopy with visible light

    NASA Astrophysics Data System (ADS)

    Kalashnikov, Dmitry A.; Paterova, Anna V.; Kulik, Sergei P.; Krivitsky, Leonid A.

    2016-02-01

    Spectral measurements in the infrared optical range provide unique fingerprints of materials, which are useful for material analysis, environmental sensing and health diagnostics. Current infrared spectroscopy techniques require the use of optical equipment suited for operation in the infrared range, components of which face challenges of inferior performance and high cost. Here, we develop a technique that allows spectral measurements in the infrared range using visible-spectral-range components. The technique is based on nonlinear interference of infrared and visible photons, produced via spontaneous parametric down conversion. The intensity interference pattern for a visible photon depends on the phase of an infrared photon travelling through a medium. This allows the absorption coefficient and refractive index of the medium in the infrared range to be determined from the measurements of visible photons. The technique can substitute and/or complement conventional infrared spectroscopy and refractometry techniques, as it uses well-developed components for the visible range.

  3. 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.

  4. 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.

  5. Laser spectroscopy of sputtered atoms

    SciTech Connect

    Gruen, D.M.; Pellin, M.J.; Young, C.E.; Calaway, W.F.

    1985-01-01

    The use of laser radiation to study the sputtering process is of relatively recent origin. Much has been learned from this work about the basic physics of the sputtering process itself through measurements of velocity and excited state distributions of sputtered atoms and the effects of adsorbates on substrate sputtering yields. Furthermore, the identification, characterization, and sensitive detection of sputtered atoms by laser spectroscopy has led to the development of in situ diagnostics for impurity fluxes in the plasma edge regions of tokamaks and of ultrasensitive methods (ppB Fe in Si) for surface analysis with ultralow (picocoulomb) ion fluences. The techniques involved in this work, laser fluorescence and multiphoton resonance ionization spectroscopy, will be described and illustrations given of results achieved up to now. 55 refs., 5 figs., 1 tab.

  6. Two-dimensional NMR spectroscopy

    SciTech Connect

    Croasmun, W.R.; Carlson, R.M.K.

    1987-01-01

    Written for chemists and biochemists who are not NMR spectroscopists, but who wish to use the new techniques of two-dimensional NMR spectroscopy, this book brings together for the first time much of the practical and experimental data needed. It also serves as information source for industrial, academic, and graduate student researchers who already use NMR spectroscopy, but not yet in two dimensions. The authors describe the use of 2-D NMR in a wide variety of chemical and biochemical fields, among them peptides, steroids, oligo- and poly-saccharides, nucleic acids, natural products (including terpenoids, alkaloids, and coal-derived heterocyclics), and organic synthetic intermediates. They consider throughout the book both the advantages and limitations of using 2-D NMR.

  7. High-Speed Optical Spectroscopy

    NASA Astrophysics Data System (ADS)

    Marsh, T. R.

    The large surveys and sensitive instruments of modern astronomy are turning ever more examples of variable objects, many of which are extending the parameter space to testing theories of stellar evolution and accretion. Future projects such as the Laser Interferometer Space Antenna (LISA) and the Large Synoptic Survey Telescope (LSST) will only add more challenging candidates to this list. Understanding such objects often requires fast spectroscopy, but the trend for ever larger detectors makes this difficult. In this contribution I outline the science made possible by high-speed spectroscopy, and consider how a combination of the well-known progress in computer technology combined with recent advances in CCD detectors may finally enable it to become a standard tool of astrophysics.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. Fourier transform infrared (FTIR) spectroscopy.

    PubMed

    Berthomieu, Catherine; Hienerwadel, Rainer

    2009-01-01

    Fourier transform infrared (FTIR) spectroscopy probes the vibrational properties of amino acids and cofactors, which are sensitive to minute structural changes. The lack of specificity of this technique, on the one hand, permits us to probe directly the vibrational properties of almost all the cofactors, amino acid side chains, and of water molecules. On the other hand, we can use reaction-induced FTIR difference spectroscopy to select vibrations corresponding to single chemical groups involved in a specific reaction. Various strategies are used to identify the IR signatures of each residue of interest in the resulting reaction-induced FTIR difference spectra. (Specific) Isotope labeling, site-directed mutagenesis, hydrogen/deuterium exchange are often used to identify the chemical groups. Studies on model compounds and the increasing use of theoretical chemistry for normal modes calculations allow us to interpret the IR frequencies in terms of specific structural characteristics of the chemical group or molecule of interest. This review presents basics of FTIR spectroscopy technique and provides specific important structural and functional information obtained from the analysis of the data from the photosystems, using this method. PMID:19513810

  13. Electronic spectroscopy of diatomic molecules

    NASA Technical Reports Server (NTRS)

    Partridge, Harry; Langhoff, Stephen R.; Bauschlicher, Charles W., Jr.

    1994-01-01

    This article provides an overview of the principal computational approaches and their accuracy for the study of electronic spectroscopy of diatomic molecules. We include a number of examples from our work that illustrate the range of application. We show how full configuration interaction benchmark calculations were instrumental in improving the understanding of the computational requirements for obtaining accurate results for diatomic spectroscopy. With this understanding it is now possible to compute radiative lifetimes accurate to within 10% for systems involving first- and second-row atoms. We consider the determination of the infrared vibrational transition probabilities for the ground states of SiO and NO, based on a globally accurate dipole moment function. We show how we were able to assign the a(sup "5)II state of CO as the upper state in the recently observed emission bands of CO in an Ar matrix. We next discuss the assignment of the photoelectron detachment spectra of NO and the alkali oxide negative ions. We then present several examples illustrating the state-of-the-art in determining radiative lifetimes for valence-valence and valence-Rydberg transitions. We next compare the molecular spectroscopy of the valence isoelectronic B2, Al2, and AlB molecules. The final examples consider systems involving transition metal atoms, which illustrate the difficulty in describing states with different numbers of d electrons.

  14. Calibration of DFT Functionals for the Prediction of 57Fe Mössbauer Spectral Parameters in Iron-Nitrosyl and Iron-Sulfur Complexes: Accurate Geometries Prove Essential

    PubMed Central

    Sandala, Gregory M.; Hopmann, Kathrin H.; Ghosh, Abhik

    2011-01-01

    Six popular density functionals in conjunction with the conductor-like screening (COSMO) solvation model have been used to obtain linear Mössbauer isomer shift (IS) and quadrupole splitting (QS) parameters for a test set of 20 complexes (with 24 sites) comprised of nonheme nitrosyls (Fe–NO) and non-nitrosyl (Fe–S) complexes. For the first time in an IS analysis, the Fe electron density was calculated both directly at the nucleus, ρ(0)N, which is the typical procedure, and on a small sphere surrounding the nucleus, ρ(0)S, which is the new standard algorithm implemented in the ADF software package. We find that both methods yield (near) identical slopes from each linear regression analysis but are shifted with respect to ρ(0) along the x-axis. Therefore, the calculation of the Fe electron density with either method gives calibration fits with equal predictive value. Calibration parameters obtained from the complete test set for OLYP, OPBE, PW91, and BP86 yield correlation coefficients (r2) of approximately 0.90, indicating that the calibration fit is of good quality. However, fits obtained from B3LYP and B3LYP* with both Slater-type and Gaussian-type orbitals are generally found to be of poorer quality. For several of the complexes examined in this study, we find that B3LYP and B3LYP* give geometries that possess significantly larger deviations from the experimental structures than OLYP, OPBE, PW91 or BP86. This phenomenon is particularly true for the di- and tetranuclear Fe complexes examined in this study. Previous Mössbauer calibration fit studies using these functionals have usually included mononuclear Fe complexes alone, where these discrepancies are less pronounced. An examination of spin expectation values reveals B3LYP and B3LYP* approach the weak-coupling limit more closely than the GGA exchange-correlation functionals. The high degree of variability in our calculated S2 values for the Fe–NO complexes highlights their challenging electronic structure. Significant improvements to the isomer shift calibrations are obtained for B3LYP and B3LYP* when geometries obtained with the OLYP functional are used. In addition, greatly improved performance of these functionals is found if the complete test set is grouped separately into Fe–NO and Fe–S complexes. Calibration fits including only Fe–NO complexes are found to be excellent, while those containing the non-nitrosyl Fe–S complexes alone are found to demonstrate less accurate correlations. Similar trends are also found with OLYP, OPBE, PW91, and BP86. Correlations between experimental and calculated QSs were also investigated. Generally, universal and separate Fe–NO and Fe–S fit parameters obtained to determine QSs are found to be of good to excellent quality for every density functional examined, especially if [Fe4(NO)4(μ3-S)4]− is removed from the test set. PMID:22039359

  15. 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

  16. 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.

  17. Theoretical methods for ultrafast spectroscopy.

    PubMed

    Marquardt, Roberto

    2013-05-10

    Time-resolved spectroscopy in the femtosecond and attosecond time domain is a tool to unravel the dynamics of nuclear and electronic motion in molecular systems. Theoretical insight into the underlying physical processes is ideally gained by solving the time-dependent Schrödinger equation. In this work, methods currently used to solve this equation are reviewed in a compact presentation. These methods involve numerical representations of wavefunctions and operators, the calculation of time evolution operators, the setting up of the Hamiltonian operators and the types of coordinates to be used hereto. The advantages and disadvantages of some methods are discussed. PMID:23606322

  18. 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.

  19. Route to Attosecond Nonlinear Spectroscopy

    SciTech Connect

    Reiter, F.; Kienberger, R.; Graf, U.; Schweinberger, W.; Fiess, M.; Goulielmakis, E.; Serebryannikov, E. E.; Zheltikov, A. M.; Schultze, M.; Krausz, F.; Azzeer, A. M.

    2010-12-10

    We demonstrate generation of coherent microjoule-scale, low-order harmonic supercontinua in the deep and vacuum ultraviolet (4-9 eV), resulting from the nonlinear transformations of near-single-cycle laser pulses in a gas cell. We show theoretically that their formation is connected to a novel nonlinear regime, holding promise for the generation of powerful deep-UV and vacuum ultraviolet subfemtosecond pulses. Our work opens the route to pump-probe spectroscopy of subfemtosecond-scale valence-shell phenomena in atoms, molecules, and condensed matter.

  20. Tunneling spectroscopy of anisotropic superconductors

    SciTech Connect

    Kashiwaya, Satoshi; Koyanagi, Masao; Kajimura, Koji; Tanaka, Yukio

    1996-12-31

    Tunneling spectroscopy of normal-insulator-superconductor junction is investigated theoretically. In anisotropic superconductors, differently from the case of isotropic superconductor, the effective pair potentials felt by quasiparticles depend on the direction of their motion. By taking this effect into account, it is shown that the conductance spectra strongly depend on the crystal orientation. Using Green`s function method, local density of states (LDOS) in superconductor is also calculated. The close relation between conductance spectra and LDOS is presented. The calculation is compared with experimental spectra of high-{Tc} superconductors.

  1. 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.

  2. Vibrational spectroscopy of photosystem I.

    PubMed

    Hastings, Gary

    2015-01-01

    Fourier transform infrared difference spectroscopy (FTIR DS) has been widely used to study the structural details of electron transfer cofactors (and their binding sites) in many types of photosynthetic protein complexes. This review focuses in particular on work that has been done to investigate the A₁cofactor in photosystem I photosynthetic reaction centers. A review of this subject area last appeared in 2006 [1], so only work undertaken since then will be covered here. Following light excitation of intact photosystem I particles the P700⁺A⁻(1) secondary radical pair state is formed within 100ps. This state decays within 300ns at room temperature, or 300μs at 77K. Given the short-lived nature of this state, it is not easily studied using "static" photo-accumulation FTIR difference techniques at either temperature. Time-resolved techniques are required. This article focuses on the use of time-resolved step-scan FTIR DS for the study of the P700⁺A⁻(1) state in intact photosystem I. Up until now, only our group has undertaken studies in this area. So, in this article, recent work undertaken in our lab is described, where we have used low-temperature (77K), microsecond time-resolved step-scan FTIR DS to study the P700⁺A⁻(1) state in photosystem I. In photosystem I a phylloquinone molecule occupies the A₁binding site. However, different quinones can be incorporated into the A1 binding site, and here work is described for photosystem I particles with plastoquinone-9, 2-phytyl naphthoquinone and 2-methyl naphthoquinone incorporated into the A₁binding site. Studies in which ¹⁸O isotope labeled phylloquinone has been incorporated into the A1 binding site are also discussed. To fully characterize PSI particles with different quinones incorporated into the A1 binding site nanosecond to millisecond visible absorption spectroscopy has been shown to be of considerable value, especially so when undertaken using identical samples under identical conditions

  3. 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.

  4. Mössbauer spectroscopy studies of selected conducting polypyrroles

    NASA Astrophysics Data System (ADS)

    Proń, A.; Kucharski, Z.; Budrowski, C.; Zagórska, M.; Krichene, S.; Suwalski, J.; Dehe, G.; Lefrant, S.

    1985-12-01

    Polypyrrole obtained by chemical oxidation of pyrrole in ethanol-water solution containing FeCl3 can be reduced chemically in Na+Naph-/THF solution and then reoxidized with FeCl3, SnCl4, and SbCl5. 57Fe and 119Sn Mössbauer spectra of the reaction products show only one type of iron and tin with Mössbauer parameters characteristic of FeCl-4 and SnCl-5. In the case of the oxidation with SbCl5, two nonequivalent antimony nuclei have been detected by 121Sb. The calculated isomer shift and quadrupole splitting values are consistent with SbCl-6 and SbCl3. The resonant absorption in all three systems studied is strongly temperature dependent and can be observed only at temperatures significantly lower than RT. This behavior indicates a low Mössbauer lattice temperature and an extremely loose bonding between the inserted anions and polymer chains.

  5. Raman spectroscopy of illicit substances

    NASA Astrophysics Data System (ADS)

    Stokes, Robert J.; Faulds, Karen; Smith, W. Ewen

    2007-10-01

    Raman spectroscopy provides a very effective method of identifying an illicit substance in situ without separation or contact other than with a laser beam. The equipment required is steadily improving and is now reliable and simple to operate. Costs are also coming down and hand held portable spectrometers are proving very effective. The main limitations on the use of the technique are that it is insensitive in terms of the number of incident photons converted into Raman scattered photons and fluorescence produced in the sample by the incident radiation interferes. Newer methods, still largely in the development phase, will increase the potential for selected applications. The use of picosecond pulsed lasers can discriminate between fluorescence and Raman scattering and this has been used in the laboratory to examine street samples of illicit drugs. Surface-enhanced Raman scattering, in which the analyte requires to be adsorbed onto a roughened metal surface, creates a sensitivity to compete with fluorescence and quenches fluorescence for molecules on a surface. This provides the ability to detect trace amounts of substances in some cases. The improving optics, detection capability and the reliability of the new methods indicate that the potential for the use of Raman spectroscopy for security purposes will increase with time.

  6. 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.

  7. 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

  8. High-Pressure Fluorescence Spectroscopy.

    PubMed

    Maeno, Akihiro; Akasaka, Kazuyuki

    2015-01-01

    The combination of fluorescence and pressure perturbation is a widely used technique to study the effect of pressure on a protein system to obtain thermodynamic, structural and kinetic information on proteins. However, we often encounter the situation where the available pressure range up to 400 MPa of most commercial high-pressure fluorescence spectrometers is insufficient for studying highly pressure-stable proteins like inhibitors and allergenic proteins. To overcome the difficulty, we have recently developed a new high-pressure fluorescence system that allows fluorescence measurements up to 700 MPa. Here we describe the basic design of the apparatus and its application to study structural and thermodynamic properties of a couple of highly stable allergenic proteins, hen lysozyme and ovomucoid, using Tryptophan and Tyrosine/Tyrosinate fluorescence, respectively. Finally, we discuss the utility and the limitation of Trp and Tyr fluorescence. We discuss pitfalls of fluorescence technique and importance of simultaneous use of other high-pressure spectroscopy, particularly high-pressure NMR spectroscopy. PMID:26174405

  9. Agricultural applications of dielectric spectroscopy.

    PubMed

    Nelson, Stuart O

    2004-01-01

    A brief account of interest in dielectric properties of agricultural materials is presented, and some examples of dielectric spectroscopy applied to agricultural problems are discussed. Included are wide frequency range (250 Hz to 12 GHz) permittivity, or dielectric properties, measurements on adult rice weevils and hard red winter wheat, for the purpose of assessing selective dielectric heating of the insects, and broadband (200 MHz to 20 GHz) permittivity measurements on tissues of fresh fruits and vegetables. Similar measurements are shown for tree-ripened peaches, which were obtained to assess possibilities for a permittivity-based maturity index. Broadband (10 MHz to 1.8 GHz) permittivity measurements are shown for several fruits and vegetables as a function of temperature from 5 to 95 degrees C. Measurements over the same frequency range and similar temperature ranges are presented for two other food products, whey protein gel and apple juice. A few comments are offered on likely future dielectric spectroscopy applications in agriculture. PMID:15719907

  10. Novel Tools for Ultrafast Spectroscopy

    NASA Astrophysics Data System (ADS)

    Jarvis, Thomas William

    Exciton dynamics in semiconductor nanostructures are dominated by the effects of many-body physics. The application of coherent spectroscopic tools, such as two-dimensional Fourier transform spectroscopy (2dFTS), to the study of these systems can reveal signatures of these effects, and in combination with sophisticated theoretical modeling, can lead to more complete understanding of the behaviour of these systems. 2dFTS has previously been applied to the study of GaAs quantum well samples. In this thesis, we outline a precis of the technique before describing our own experiments using 2dFTS in a partially collinear geometry. This geometry has previously been used to study chemical systems, but we believe these experiments to be the first such performed on semiconductor samples. We extend this technique to a reflection mode 2dFTS experiment, which we believe to be the first such measurement. In order to extend the techniques of coherent spectroscopy to structured systems, we construct an experimental apparatus that permits us to control the beam geometry used to perform four-wave mixing reflection measurements. To isolate extremely weak signals from intense background fields, we extend a conventional lock-in detection scheme to one that treats the optical fields exciting the sample on an unequal footing. To the best of our knowledge, these measurements represent a novel spectroscopic tool that has not previously been described.

  11. Spectroscopy Diagnostics for Helicon Plasmas

    NASA Astrophysics Data System (ADS)

    Boivin, R. F.; Balkey, M. M.; Blackburn, M. A.; Keiter, P. A.; Kline, J. L.; Scime, E. E.; Spangler, R. S.

    1999-11-01

    Measuring plasma parameters via non-intrusive diagnostics is a matter of necessity in steady-state helicon sources. Contrary to probes, spectroscopy measurements are only weakly affected by RF fields and do not contaminate the plasma. We discuss spectroscopic diagnostics designed to evaluate the different plasma parameters of the HELIX helicon source. The wide range in density that can generated by HELIX (for He, 10^10 to 10^13 cm-3) makes it an ideal source to develop and validate diagnostics that can be used in RF plasmas. For He discharges, a spectroscopy technique based on the relative intensities of He I lines is used to measure Te in the plasma. This diagnostic is based on the fact that the dependence on the electron energy of the excitation rate differs between singlet and triplet lines of the He atom. In addition, using an absolute calibration, the study of specific neutral and ion transitions can predict the population of the different excited levels and the ion density. For Ar plasmas, the possibility of using a line ratio technique to evaluate the electron temperature is investigated. An alternative technique using the ratio of bound-bound radiation versus continuous radiation is also presented. Finally, absolute intensity measurements of specific Ar I and Ar II transitions are used to predict the excited levels populations and the ion density in the plasma, respectively.

  12. 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.

  13. X-ray Echo Spectroscopy

    NASA Astrophysics Data System (ADS)

    Shvyd'ko, Yuri

    2016-02-01

    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 >108 ) with broadband ≃5 - 13 meV dispersing systems are introduced featuring more than 103 signal enhancement. The technique is general, applicable in different photon frequency domains.

  14. Phase and particle size distribution in magnetoresistive Fe-Cu granular alloys investigated by Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Rogalski, M. S.; Pereira de Azevedo, M. M.; Sousa, J. B.

    1996-11-01

    The size distribution of ferromagnetic particles in granular Fe-Cu alloys is derived from the hyperfine field distribution of e57Fe Mössbauer spectra, on the grounds of collective magnetic excitations associated with the spectral line broadening. A good agreement with the X-ray diffraction results is found for the average particle size estimated from the Mössbauer data. The magnetoresistance of a splat-cooled Fe25Cu75 alloy reaches a maximum of 3% after appropriate annealing and its evolution is correlated with the various Fe phases (ferro, para and superparamagnetic) and particle sizes identified by the Mössbauer data.

  15. Hyphenated spectroscopy as a polymorph screening tool.

    PubMed

    Aaltonen, Jaakko; Strachan, Clare J; Pöllänen, Kati; Yliruusi, Jouko; Rantanen, Jukka

    2007-06-28

    Polymorph screening of a model compound (nitrofurantoin) was performed. Nitrofurantoin was crystallized from acetone-water mixtures with varying process parameters. Two anhydrate forms (alpha and beta) and one monohydrate form (II) were crystallized in the polymorph screen. The solid forms were analyzed with three complementary spectroscopic techniques: near-infrared (NIR) spectroscopy, Raman spectroscopy and terahertz pulsed spectroscopy (TPS), and the results of the solid phase analysis were verified with X-ray powder diffraction (XRPD). NIR and Raman spectroscopy were coupled to achieve a rapid and comprehensive method of solid phase analysis. The hyphenated NIR/Raman spectroscopic data were analyzed with a multivariate method, principal component analysis (PCA). The combination was found effective in screening solid forms due to the complementary characteristics of the methods. NIR spectroscopy is powerful in differentiating between anhydrate and hydrate forms and intermolecular features, whereas Raman spectroscopy is sensitive to intramolecular alterations in the molecular backbone. PMID:17367979

  16. Modern NMR spectroscopy: a guide for chemists

    SciTech Connect

    Sanders, J.K.M.; Hunter, B.K.

    1988-01-01

    The aim of the authors of Modern NMR Spectroscopy is to bridge the communication gap between the chemist and the spectroscopist. The approach is nonmathematical, descriptive, and pictorial. To illustrate the ideas introduced in the text, the authors provide original spectra obtained specially for this purpose. Examples include spectroscopy of protons, carbon, and less receptive nuclei of interest to inorganic chemists. The authors succeed in making high-resolution NMR spectroscopy comprehensible for the average student or chemist.

  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. 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.

  19. 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.

  20. 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.

  1. Plasmonic spectroscopy of metallic nanostructures

    NASA Astrophysics Data System (ADS)

    Ni, Weihai

    The study of the plasmonic spectroscopy of metallic nanostructures is of great interest in nanoscale optics and photonics. Metallic nanostructures exhibit rich optical and electrical properties due to their localized surface plasmons (LSPs, collective charge density oscillations that are confined to metallic nanostructures). They can be widely used in a variety of application areas, such as surface-enhanced Raman scattering (SERS), plasmonic sensing, and metal enhanced fluorescence (MEF). In this thesis, a systematic study on the plasmonic spectroscopy of metallic nanostructures has been presented, both theoretically and experimentally. I will first describe my studies on the plasmonic properties of metallic nanostructures. Specific approaches of modifying the sizes and shapes of Au nanorods have been developed for tailoring their plasmonic properties, including surface plasmon wavelength, absorption, scattering, and extinction cross sections. Single-particle dark-field imaging and spectroscopy have proved that the scattering intensity of overgrown nanorods is larger than that of shortened nanorods from the same starting nanorods. Finite-difference time-domain (FDTD) calculations further show that the scattering-to-extinction ratio increases linearly as a function of the diameter of Au nanorods with a fixed aspect ratio. To obtain a deep understanding on the shape dependence of the localized surface plasmon resonance, I have emplyed FDTD on both Au nanorods and Au nanobipyramids. The results show that, when excited at their LSP wavelengths, Au nanobipyramids exhibit a maximal electric field intensity enhancement that is 3--6 times that of Au nanorods. Au nanorods have been further assembled into chains (end-to-end) and stacks (side-by-side). FDTD calculations have been performed on both Au nanorod chains and stacks with varying gap distances to obtain the dependence of the plasmon shift on the gap distance, which is then used as a plasmonic ruler to estimate the

  2. Precision Spectroscopy of Atomic Hydrogen

    NASA Astrophysics Data System (ADS)

    Beyer, A.; Parthey, Ch G.; Kolachevsky, N.; Alnis, J.; Khabarova, K.; Pohl, R.; Peters, E.; Yost, D. C.; Matveev, A.; Predehl, K.; Droste, S.; Wilken, T.; Holzwarth, R.; Hänsch, T. W.; Abgrall, M.; Rovera, D.; Salomon, Ch; Laurent, Ph; Udem, Th

    2013-12-01

    Precise determinations of transition frequencies of simple atomic systems are required for a number of fundamental applications such as tests of quantum electrodynamics (QED), the determination of fundamental constants and nuclear charge radii. The sharpest transition in atomic hydrogen occurs between the metastable 2S state and the 1S ground state. Its transition frequency has now been measured with almost 15 digits accuracy using an optical frequency comb and a cesium atomic clock as a reference [1]. A recent measurement of the 2S - 2P3/2 transition frequency in muonic hydrogen is in significant contradiction to the hydrogen data if QED calculations are assumed to be correct [2, 3]. We hope to contribute to this so-called "proton size puzzle" by providing additional experimental input from hydrogen spectroscopy.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. Supercritical Angle Fluorescence Correlation Spectroscopy

    PubMed Central

    Ries, Jonas; Ruckstuhl, Thomas; Verdes, Dorinel; Schwille, Petra

    2008-01-01

    We explore the potential of a supercritical angle (SA) objective for fluorescence correlation spectroscopy (FCS). This novel microscope objective combines tight focusing by an aspheric lens with strong axial confinement of supercritical angle fluorescence collection by a parabolic mirror lens, resulting in a small detection volume. The tiny axial extent of the detection volume features an excellent surface sensitivity, as is demonstrated by diffusion measurements in model membranes with an excess of free dye in solution. All SA-FCS measurements are directly compared to standard confocal FCS, demonstrating a clear advantage of SA-FCS, especially for diffusion measurements in membranes. We present an extensive theoretical framework that allows for accurate and quantitative evaluation of the SA-FCS correlation curves. PMID:17827221

  12. 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.

  13. Planetary gamma-ray spectroscopy

    NASA Technical Reports Server (NTRS)

    Reedy, R. C.

    1978-01-01

    The measured intensities of certain gamma rays of specific energies escaping from a planetary surface can be used to determine the abundances of a number of elements. The fluxes of the more intense gamma-ray lines emitted from 32 elements were calculated using current nuclear data and existing models for the source processes. The source strengths for neutron-capture reactions were modified from those previously used. The fluxes emitted form a surface of average lunar composition are reported for 292 gamma-ray lines. These theoretical fluxes were used elsewhere to convert the data from the Apollo gamma-ray spectrometers to elemental abundances and can be used with measurements from future missions to map the concentrations of a number of elements over a planet's surface. Detection sensitivities for these elements are examined and applications of gamma-ray spectroscopy for future orbiters to Mars and other solar-system objects are discussed.

  14. TT Arietis: Spectroscopy and Photometry

    NASA Astrophysics Data System (ADS)

    Wu, Xiaoan; Li, Zongyun; Ding, Yuerong; Zhang, Zhousheng; Li, Zili

    2002-04-01

    We report the photometry and spectroscopy of TT Arietis around the turn of the millennium, when the nova-like variable is in high state. A positive superhump since 1997 still exists. A more precise orbital period than before, 0.13755040+/-1.7×10-7 days, is established. The intensity of the Balmer emission core is found to modulate at the superhump period rather than the orbital period and 180° out of phase with continuum. The intensity of Balmer absorption wings is approximately proportional to the continuum flux. The correlation between Balmer lines and continuum provides a new clue to the study of sources of continuum and emission lines. The mass ratio of the binary is found to be in the range of 0.19+/-0.04, which lends strong support to the proposition that superhumps arise from the inner Lindblad 3:1 resonance in TT Ari, as in superoutbursts of SU UMa stars.

  15. Pulse defect immune Ramsey spectroscopy

    NASA Astrophysics Data System (ADS)

    Sanner, Christian; Huntemann, Nils; Kuznetsov, Sergey; Lipphardt, Burghard; Tamm, Christian; Peik, Ekkehard

    2016-05-01

    We show that a balanced version of Ramsey's method of separated oscillatory fields is well suited for measuring unperturbed transition frequencies of atomic reference transitions that suffer from significant clock shifts in the presence of the oscillatory drive fields. Using the example of the strongly light shift affected Yb 171 + octupole transition we experimentally demonstrate the feasibility of this concept and show that no systematic clock shifts are incurred for arbitrarily detuned drive pulses. Unlike composite pulse approaches as proposed in balanced Ramsey spectroscopy can provide universal immunity to a variety of pulse aberrations and drive pulse induced shifts including phase chirps and pulse-synchronous intensity variations. In this context we also devise an experimental method addressing issues related to motional heating of the confined ion. Furthermore we report on the status of an Yb + experiment searching for signatures of spatial anisotropy.

  16. Raman Spectroscopy of Amorphous Carbon

    SciTech Connect

    Tallant, D.R.; Friedmann, T.A.; Missert, N.A.; Siegal, M.P.; Sullivan, J.P.

    1998-01-01

    Amorphous carbon is an elemental form of carbon with low hydrogen content, which may be deposited in thin films by the impact of high energy carbon atoms or ions. It is structurally distinct from the more well-known elemental forms of carbon, diamond and graphite. It is distinct in physical and chemical properties from the material known as diamond-like carbon, a form which is also amorphous but which has a higher hydrogen content, typically near 40 atomic percent. Amorphous carbon also has distinctive Raman spectra, whose patterns depend, through resonance enhancement effects, not only on deposition conditions but also on the wavelength selected for Raman excitation. This paper provides an overview of the Raman spectroscopy of amorphous carbon and describes how Raman spectral patterns correlate to film deposition conditions, physical properties and molecular level structure.

  17. 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.

  18. 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.

  19. 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…

  20. Analysis of Blackbody Radiation with Derivative Spectroscopy.

    ERIC Educational Resources Information Center

    Dusek, J.; And Others

    1980-01-01

    Describes an undergraduate experiment which uses derivative spectroscopy to investigate the validity of the Planck function appearing in the blackbody radiation law. These measurements allow a critical examination of this function and also serve as an introduction to derivative spectroscopy techniques. (Author/HM)

  1. 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.

  2. Infrared Laser Spectroscopy, 1980-1983

    NASA Astrophysics Data System (ADS)

    McDowell, Robin S.

    1983-11-01

    The text for the Short Course on Infrared Laser Spectroscopy given at the Los Alamos Conference on Optics '83 is R. S. McDowell, "Vibrational Spectroscopy Using Tunable Lasers," in Vibrational Spectra and Structure, J. R. Durig, ed. (Elsevier, Amsterdam, 1981) 10, 1-151, which includes references through 1979. The present paper summarizes progress in this field from 1980 to early 1983.

  3. 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…

  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. Cavity Enhanced Ultrafast Transient Absorption Spectroscopy

    NASA Astrophysics Data System (ADS)

    Allison, Thomas K.; Reber, Melanie Roberts; Chen, Yuning

    2015-06-01

    Ultrafast spectroscopy on gas phase systems is typically restricted to techniques involving photoionization, whereas solution phase experiments utilize the detection of light. At Stony Brook, we are developing new techniques for performing femtosecond time-resolved spectroscopy using frequency combs and high-finesse optical resonators. A large detection sensitivity enhancement over traditional methods enables the extension of all-optical ultrafast spectroscopies, such as broad-band transient absorption spectroscopy (TAS) and 2D spectroscopy, to dilute gas phase samples produced in molecular beams. Here, gas phase data can be directly compared to solution phase data. Initial demonstration experiments are focusing on the photodissociation of iodine in small neutral argon clusters, where cluster size strongly influences the effects solvent-caging and geminate recombination. I will discuss these initial results, our high power home-built Yb:fiber laser systems, and also extensions of the methods to the mid-IR to study the vibrational dynamics of hydrogen bonded clusters.

  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. 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

  8. 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.

  9. Second moments and rotational spectroscopy

    NASA Astrophysics Data System (ADS)

    Bohn, Robert K.; Montgomery, John A.; Michels, H. Harvey; Fournier, Joseph A.

    2016-07-01

    Although determining molecular structure using microwave spectroscopy is a mature technique, there are still simple but powerful insights to analysis of the data which are not generally appreciated. This paper summarizes three applications of second (or planar) moments which quickly and easily provide insights and conclusions about a molecule's structure not easily obtained from the molecule's rotational constants. If the molecule has a plane of symmetry, group second moments can verify that property and determine which groups are located on that plane. Common groups contribute predictable values to second moments. This study examines the contribution and transferability of CH2/CH3, CF2/CF3, isopropyl, and phenyl groups to molecular constants. Structures of related molecules can be critically compared using their second moments. A third application to any molecule, even those whose structures have only the identity symmetry element, determines bond lengths and angles which exactly reproduce experimentally determined 2nd moments, rotational constants, and moments of inertia. Approximate least squares methods are not needed.

  10. Frequency-domain Hadamard spectroscopy

    NASA Astrophysics Data System (ADS)

    Kupče, Ēriks; Freeman, Ray

    2003-05-01

    A new technique is proposed for multichannel excitation and detection of NMR signals in the frequency domain, an alternative to the widely used pulse-excited Fourier transform method. An extensive array of N radiofrequency irradiation channels covers the spectrum of interest. A selective radiofrequency pulse sequence is applied to each channel, generating a steady-state NMR response acquired one-point-at-a-time in the intervals between pulses. The excitation pattern is repeated N times, phase-encoded according to a Hadamard matrix, and the corresponding N composite responses are decoded by reference to the same matrix. This multiplex technique offers the same sensitivity advantage as conventional Fourier transform spectroscopy. The irradiation pattern may be tailored to concentrate on interesting spectral regions, to facilitate homonuclear double resonance, or to avoid exciting strong solvent peaks. As no free induction decay is involved, the new method avoids problems of pulse breakthrough or lineshape distortion by premature termination of the time-domain signal.

  11. 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.

  12. Future Directions in Ultraviolet Spectroscopy

    NASA Technical Reports Server (NTRS)

    Sonneborn, George (Editor); Moos, Warren; VanSteenberg, Michael

    2009-01-01

    The 'Future Directions in Ultraviolet Spectroscopy' conference was inspired by the accomplishments of the Far Ultraviolet Spectroscopic Explorer (FUSE) Mission. The FUSE mission was launched in June 1999 and spent over eight years exploring the far-ultraviolet universe, gathering over 64 million seconds of high-resolution spectral data on nearly 3000 astronomical targets. The goal of this conference was not only to celebrate the accomplishments of FUSE, but to look toward the future and understand the major scientific drivers for the ultraviolet capabilities of the next generation fo space observatories. Invited speakers presented discussions based on measurements made by FUSE and other ultraviolet instruments, assessed their connection with measurements made with other techniques and, where appropriate, discussed the implications of low-z measurements for high-z phenomena. In addition to the oral presentations, many participants presented poster papers. The breadth of these presentation made it clear that much good science is still in progress with FUSE data and that these result will continue to have relevance in many scientific areas.

  13. Reflection spectroscopy of atherosclerotic plaque

    NASA Astrophysics Data System (ADS)

    Lilledahl, Magnus B.; Haugen, Olav A.; Barkost, Marianne; Svaasand, Lars O.

    2006-03-01

    Heart disease is the primary cause of death in the western world. Many of these deaths are caused by the rupture of vulnerable plaque. Vulnerable plaques are characterized by a large lipid core covered by a thin fibrous cap. One method for detecting these plaques is reflection spectroscopy. Several studies have investigated this method using statistical methods. A more analytic and quantitative study might yield more insight into the sensitivity of this detection modality. This is the approach taken in this work. Reflectance spectra in the spectral region from 400 to 1700 nm are collected from 77 measurement points from 23 human aortas. A measure of lipid content in a plaque based on reflection spectra is presented. The measure of lipid content is compared with the thickness of the lipid core, determined from histology. Defining vulnerable plaque as having a lipid core >500 µm and fibrous cap <500 µm, vulnerable plaques are detected with a sensitivity of 88% and a specificity of 94%. Although the method can detect lipid content, it is not very sensitive to the thickness of the fibrous cap. Another detection modality is necessary to detect this feature.

  14. Hyperpolarized 131Xe NMR spectroscopy

    PubMed Central

    Stupic, Karl F.; Cleveland, Zackary I.; Pavlovskaya, Galina E.; Meersmann, Thomas

    2011-01-01

    Hyperpolarized (hp) 131Xe with up to 2.2% spin polarization (i.e., 5000-fold signal enhancement at 9.4 T) was obtained after separation from the rubidium vapor of the spin-exchange optical pumping (SEOP) process. The SEOP was applied for several minutes in a stopped-flow mode, and the fast, quadrupolar-driven T1 relaxation of this spin I = 3/2 noble gas isotope required a rapid subsequent rubidium removal and swift transfer into the high magnetic field region for NMR detection. Because of the xenon density dependent 131Xe quadrupolar relaxation in the gas phase, the SEOP polarization build-up exhibits an even more pronounced dependence on xenon partial pressure than that observed in 129Xe SEOP. 131Xe is the only stable noble gas isotope with a positive gyromagnetic ratio and shows therefore a different relative phase between hp signal and thermal signal compared to all other noble gases. The gas phase 131Xe NMR spectrum displays a surface and magnetic field dependent quadrupolar splitting that was found to have additional gas pressure and gas composition dependence. The splitting was reduced by the presence of water vapor that presumably influences xenon-surface interactions. The hp 131Xe spectrum shows differential line broadening, suggesting the presence of strong adsorption sites. Beyond hp 131Xe NMR spectroscopy studies, a general equation for the high temperature, thermal spin polarization, P, for spin I⩾1/2 nuclei is presented. PMID:21051249

  15. FCS and Single Molecule Spectroscopy

    NASA Astrophysics Data System (ADS)

    Rigler, Rudolf

    The idea to develop Fluorescence Fluctuation spectroscopy started when working in Manfred Eigens' Laboratory in G¨ottingen in the Max Planck Institute for Physical Chemistry as a postdoctoral fellow. I had just finished the construction and testing of a fluorescence T-jump machine [1] when Jean Pierre Changeux from Institut Pasteur arrived in G¨ottingen with a bag of freshly isolated nicotinic acetyl choline receptor to use the new fluorescence T-jump apparatus for relaxation kinetic studies of the receptor. Due to the high concentration of detergents present in the preparation and limited conductivity of the solvent leading to strong cavitation in the T-jump cell we could not perform the temperature relaxation experiments. However, this experience raised the question whether the analysis of equilibrium fluctuations by observing changes in the quantum yield of fluorescence would not be an alternative way to follow kinetic processes. In this way all problems related to the instantaneous temperature change could be avoided.

  16. 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.

  17. 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.

  18. 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).

  19. 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.

  20. 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.

  1. Laser photoelectron spectroscopy of ions

    SciTech Connect

    Ellison, G.B.

    1992-01-16

    This enterprise uses photoelectron spectroscopy to study the properties of negative ions and radicals. The essence of our experiment is to cross a 0.6 keV mass-selected ion beam (M{sup {minus}}) with the output of a CW laser, {Dirac h}{omega}{sub o}. The resultant detached photoelectrons with kinetic energy, KE, are energy analyzed by means of a set of electrostatic hemispherical analyzers. Analysis of the photoelectron spectra enables us to extract molecular electron affinities, vibrational frequencies and electronic splittings of the final radical, M, as well as the relative molecular geometries of ions (M{sup {minus}}) and radicals (M). We have scrutinized the two simplest nitrenes: methylnitrene (CH{sub 3}N) and phenylnitrene (C{sub 6}H{sub 5}N). By preparing the corresponding anions, CH{sub 3}N{sup {minus}} and C{sub 6}H{sub 5}N{sup {minus}}, we have studied these nitrene biradicals. Singlet methylnitrene is especially interesting since it is formally a transition state.''

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. [MR spectroscopy in brain tumors].

    PubMed

    Papanagiotou, P; Backens, M; Grunwald, I Q; Farmakis, G; Politi, M; Roth, C; Reith, W

    2007-06-01

    MRT allows the anatomical visualization of intracerebral space-occupying lesions, and when magnetic resonance spectroscopy (MRS) is used in routine clinical practice it can give more information and be helpful in the diagnosis of such lesions. In MRS with long echo times for nerve tissue there are five metabolites that are particularly significant: N-acetyl aspartate (NAA), creatine, choline, lactate, and lipids. NAA levels are lowered in the presence of intracerebral tumors. Creatine is lowered in situations of hypermetabolic metabolism and elevated in hypometabolic conditions, but remains constant in many pathologic states and can be used as a reliable reference value. With malignant tumors there are usually elevated choline concentrations, reflecting increased membrane synthesis and a higher cell turnover. The lactate level rises following a switch in metabolism from aerobic to anaerobic glycolysis, and this is frequently observed in the presence of malignant tumors. The occurrence of lipid peaks in a tumor spectrum suggests the presence of tissue necroses or metastases. There are typical constellations that are seen on MRS for individual tumors, which are discussed in detail in the present paper. PMID:17530212

  7. 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.

  8. Raman Spectroscopy and Related Techniques in Biomedicine

    PubMed Central

    Downes, Andrew; Elfick, Alistair

    2010-01-01

    In this review we describe label-free optical spectroscopy techniques which are able to non-invasively measure the (bio)chemistry in biological systems. Raman spectroscopy uses visible or near-infrared light to measure a spectrum of vibrational bonds in seconds. Coherent anti-Stokes Raman (CARS) microscopy and stimulated Raman loss (SRL) microscopy are orders of magnitude more efficient than Raman spectroscopy, and are able to acquire high quality chemically-specific images in seconds. We discuss the benefits and limitations of all techniques, with particular emphasis on applications in biomedicine—both in vivo (using fiber endoscopes) and in vitro (in optical microscopes). PMID:21151763

  9. 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.

  10. Autofluorescence spectroscopy of oral mucosa

    NASA Astrophysics Data System (ADS)

    Majumdar, S. K.; Uppal, A.; Gupta, P. K.

    1998-06-01

    We report the results of an in-vitro study on autofluorescence from pathologically characterized normal and malignant squamous tissues from the oral cavity. The study involved biopsy samples from 47 patients with oral cancer of which 11 patients had cancer of tongue, 17 of buccal mucosa and 19 of alveolus. The results of excitation and emission spectroscopy at several wavelengths (280 nm less than or equal to (lambda) exless than or equal to 460 nm; 340 nm less than or equal to (lambda) em less than or equal to 520 nm) showed that at (lambda) ex equals 337 nm and 400 nm the mean value for the spectrally integrated fluorescence intensity [(Sigma) (lambda ) IF((lambda) )] from the normal tissue sites was about a factor of 2 larger than that from the malignant tissue sites. At other excitation wavelengths the difference in (Sigma) (lambda ) IF((lambda) ) was not statistically significant. Similarly, for (lambda) em equals 390 nm and 460 nm, the intensity of the 340 nm band of the excitation spectra from normal tissues was observed to be a factor of 2 larger than that from malignant tissues. Analysis of these results suggests that NADH concentration is higher in normal oral tissues compared to the malignant. This contrasts with our earlier observation of an reduced NADH concentration in normal sites of breast tissues vis a vis malignant sites. For the 337 nm excited emission spectra a 10-variable MVLR score (using (Sigma) (lambda ) IF((lambda) ) and normalized intensities at nine wavelengths as input parameters) provided a sensitivity and specificity of 95.7% and 93.1% over the sample size investigated.

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. Submillimeter Spectroscopy of Hydride Molecules

    NASA Astrophysics Data System (ADS)

    Phillips, T. G.

    1998-05-01

    Simple hydride molecules are of great importance in astrophysics and astrochemistry. Physically they dominate the cooling of dense, warm phases of the ISM, such as the cores and disks of YSOs. Chemically they are often stable end points of chemical reactions, or may represent important intermediate stages of the reaction chains, which can be used to test the validity of the process. Through the efforts of astronomers, physicists, chemists, and laboratory spectroscopists we have an approximate knowledge of the abundance of some of the important species, but a great deal of new effort will be required to achieve the comprehensive and accurate data set needed to determine the energy balance and firmly establish the chemical pathways. Due to the low moment of inertia, the hydrides rotate rapidly and so have their fundamental spectral lines in the submillimeter. Depending on the cloud geometry and temperature profile they may be observed in emission or absorption. Species such as HCl, HF, OH, CH, CH(+) , NH_2, NH_3, H_2O, H_2S, H_3O(+) and even H_3(+) have been detected, but this is just a fraction of the available set. Also, most deduced abundances are not nearly sufficiently well known to draw definitive conclusions about the chemical processes. For example, the most important coolant for many regions, H_2O, has a possible range of deduced abundance of a factor of 1000. The very low submillimeter opacity at the South Pole site will be a significant factor in providing a new capabilty for interstellar hydride spectroscopy. The new species and lines made available in this way will be discussed.

  16. Emerging Dental Applications of Raman Spectroscopy

    NASA Astrophysics Data System (ADS)

    Choo-Smith, Lin-P'ing; Hewko, Mark; Sowa, Michael G.

    Until recently, the application of Raman spectroscopy to investigate dental tissues has primarily focused on using microspectroscopy to characterize dentin and enamel structures as well as to understand the adhesive interface of various resin and bonding agents used in restorative procedures. With the advent of improved laser, imaging/mapping and fibre optic technologies, the applications have expanded to investigate various biomedical problems ranging from oral cancer, bacterial identification and early dental caries detection. The overall aim of these applications is to develop Raman spectroscopy into a tool for use in the dental clinic. This chapter presents the recent dental applications of Raman spectroscopy as well as discusses the potential, strengths and limitations of the technology in comparison with alternative techniques. In addition, a discussion and rationale about combining Raman spectroscopy with other optical techniques will be included.

  17. Aggregation of metallochlorophylls - Examination by spectroscopy

    NASA Technical Reports Server (NTRS)

    Boucher, L. J.; Katz, J. J.

    1969-01-01

    Nuclear magnetic resonance measurements determine which metallochlorophylls, besides magnesium-containing chlorophylls, possess coordination aggregation properties. Infrared spectroscopy reveals that only zinc pheophytin and zinc methyl pheophorbide showed significant coordination aggregation, whereas divalent nickel and copper did not.

  18. The Diversity of Nuclear Magnetic Resonance Spectroscopy

    NASA Astrophysics Data System (ADS)

    Liu, Corey W.; Alekseyev, Viktor Y.; Allwardt, Jeffrey R.; Bankovich, Alexander J.; Cade-Menun, Barbara J.; Davis, Ronald W.; Du, Lin-Shu; Garcia, K. Christopher; Herschlag, Daniel; Khosla, Chaitan; Kraut, Daniel A.; Li, Qing; Null, Brian; Puglisi, Joseph D.; Sigala, Paul A.; Stebbins, Jonathan F.; Varani, Luca

    The discovery of the physical phenomenon of Nuclear Magnetic Resonance (NMR) in 1946 gave rise to the spectroscopic technique that has become a remarkably versatile research tool. One could oversimplify NMR spectros-copy by categorizing it into the two broad applications of structure elucidation of molecules (associated with chemistry and biology) and imaging (associated with medicine). But, this certainly does not do NMR spectroscopy justice in demonstrating its general acceptance and utilization across the sciences. This manuscript is not an effort to present an exhaustive, or even partial review of NMR spectroscopy applications, but rather to provide a glimpse at the wide-ranging uses of NMR spectroscopy found within the confines of a single magnetic resonance research facility, the Stanford Magnetic Resonance Laboratory. Included here are summaries of projects involving protein structure determination, mapping of intermolecular interactions, exploring fundamental biological mechanisms, following compound cycling in the environmental, analysis of synthetic solid compounds, and microimaging of a model organism.

  19. 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.

  20. 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.

  1. Absorption Spectroscopy in Homogeneous and Micellar Solutions.

    ERIC Educational Resources Information Center

    Shah, S. Sadiq; Henscheid, Leonard G.

    1983-01-01

    Describes an experiment which has helped physical chemistry students learn principles of absorption spectroscopy, the effect of solvent polarity on absorption spectra, and some micellar chemistry. Background information and experimental procedures are provided. (JN)

  2. 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...

  3. 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

  4. 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.

  5. 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)

  6. 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.

  7. 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.

  8. Torque-mixing Magnetic Resonance Spectroscopy

    NASA Astrophysics Data System (ADS)

    Losby, Joseph; Fani Sani, Fatemeh; Grandmont, Dylan; Diao, Zhu; Belov, Miro; Burgess, Jacob; Compton, Shawn; Hiebert, Wayne; Vick, Doug; Mohammad, Kaveh; Salimi, Elham; Bridges, Gregory; Thomson, Douglas; Freeman, Mark

    A universal, mechanical torque method for magnetic resonance spectroscopy is presented. In analogy to resonance detection by induction, a signal proportional to the transverse component of a precessing dipole moment can be measured as a pure mechanical torque in broadband, frequency-swept spectroscopy. Comprehensive electron spin resonance of a single-crystal, mesoscopic yttrium iron garnet disk at room temperature are presented to demonstrate the method. The rich detail allows analysis of even complex 3D spin textures.

  9. Spectroscopy analysis of chitosan-glibenclamide hydrogels.

    PubMed

    Delgadillo-Armendariz, Nancy-Liliana; Rangel-Vázquez, Norma-Aurea; García-Castañón, Alejandra-Ibeth

    2014-01-01

    The structure of glibenclamide, 5-chloro-N-(2-{4-[(cyclohexylamino)carbonyl] aminosulfonyl}phenyl) ethyl)-2-methoxybenzamide, an important antidiabetic drug, has been studied both chitosan using theoretical calculations like Gibbs free energy, electrostatic potential, FTIR and NMR spectroscopy. Fourier transform infrared (FT-IR) spectroscopy reveals information about the molecular interactions of chemical components and is useful to characterization of hydrogel. Nucleophilic and electrophilic regions were calculated using the electrostatic potential. PMID:24216118

  10. 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.

  11. PINGSoft2: Integral Field Spectroscopy Software

    NASA Astrophysics Data System (ADS)

    Rosales-Ortega, F. F.

    2014-07-01

    PINGSoft2 visualizes, manipulates and analyzes integral field spectroscopy (IFS) data based on either 3D cubes or Raw Stacked Spectra (RSS) format. Any IFS data can be adapted to work with PINGSoft2, regardless of the original data format and the size/shape of the spaxel. Written in IDL, PINGSoft2 is optimized for fast visualization rendering; it also includes various routines useful for generic astronomy and spectroscopy tasks.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. Laboratory spectroscopy of HED meteorites

    NASA Astrophysics Data System (ADS)

    Farina, M.; Coradini, A.; Carli, C.; Ammannito, E.; Consolmagno, G.; De sanctis, M.; Di Iorio, T.; Turrini, D.

    2011-12-01

    4 Vesta is one of the largest and the most massive asteroid in the Main Asteroid Belt. This asteroid possesses a basaltic surface and apparently formed and differentiated very early in the history of the solar system. There are strong evidences that indicate Vesta as the parent body of Howardites, Diogenites and Eucrites (HEDs). HED meteorites are a subgroup of achondrite meteorites and they are a suite of rocks that formed at high temperature and experienced igneous processing similar to the magmatic rocks found on Earth. The visible and near-infrared (VNIR) reflectance spectra of Vesta's surface show high similarity with the laboratory spectra of HED meteorites. Vesta and HEDs spectra have two crystal field absorption bands close to 0.9 μm and 1.9 μm indicative of the presence of ferrous iron in pyroxenes. The HEDs differ from each other primarily based on variation in pyroxene composition and the pyroxene-plagioclase ratio as well as rocks texture characteristics (e.g., size of crystals). These differences suggest that a combined VNIR spectra studies of Vesta and HED meteorites might reveal the different characteristics of the surface compositions and shed new light on the origin and the thermal history of Vesta. Moreover the link between Vesta and HEDs could provide a test bed to understand the short-lived radionuclide-driven differentiation of planetary bodies. Here we present preliminary result of a study of spectral characteristics of different HED samples, provided to us by the Vatican Observatory. Bidirectional reflectance spectra of slabs of meteorites are performed in the VNIR, between (0.35/2.50) μm, using a Fieldspec spectrometer mounted on a goniometer, in use at the SLAB (Spectroscopy laboratory, INAF, Rome). The spectra are acquired in standard conditions with an incidence angle i=30o and an emission angle e=0o, measuring a spot with a diameter of 5 mm. Different Howardite, Diogenite and Eucrite samples are "mapped" considering several spots on

  19. 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

  20. Optical Spectroscopy of Stardust Samples

    NASA Technical Reports Server (NTRS)

    Keller, Lindsay P.

    2006-01-01

    The Stardust spacecraft collected dust samples of the Kuiper belt comet 81P Wild-2 in aerogel and returned them to Earth January 15, 2006. Preliminary examination (PE) of the collected dust includes teams focused on mineralogy, chemical composition, isotopic measurements, organic analysis, cratering and spectroscopic properties. The main PE science goals are to provide an initial characterization of the returned samples with an emphasis on the capture process and its effects on the samples, a comparison of Stardust samples to other meteoritic materials, and the abundance of presolar materials in the Stardust samples. The science objectives of the Spectroscopy team are to obtain spectroscopic data on Stardust particles through infrared (IR), UV/Vis and Raman measurements of particles in aerogel, extracted particles, keystones, and microtome thin sections. These data will be used to answer fundamental science questions about the nature of the samples, but will also serve as preliminary mineralogical data to guide follow-on measurements that will be performed in the other preliminary examination teams. The IR characteristics of Stardust particles are measured to determine: 1) the nature of the indigenous 3.4 micron organic feature, is it detected and can it be differentiated/deconvolved from the contaminated aerogel? How does it compare to features observed in interplanetary dust particles (IDPs) and to astronomical measurements of comets and interstellar dust? 2) the shape and fine structure within the 10 micron silicate feature. Overlap with the strong Si-O stretching vibration from the aerogel complicates this analysis, but we hope to determine if the feature is dominated by amorphous silicates such as those observed in IDPs and comets and whether or not crystalline silicates (e.g. olivine, pyroxene, clays) are present, 3) the presence of secondary (alteration) phases. Deep Impact results suggest that IR observations of Stardust particles should be evaluated for