Search results for "absorption."
showing 10 items of 2682 documents
Optical absorption and Raman spectroscopy of CuWO4
2010
Th e electronic absorption and Raman spectra of CuWO4 are studied as a function of pressure in the 0 - 20 GPa range. The below-gap absorption bands at 1.15, 1.38 and 1.56 eV correspond to Cu 2+ d-transitions split by the Jahn-Teller distortion of CuO6 (Req = 1.98 A; Rax = 2.39 A; Qθ = 0.47 A). Pressure induces a strong reduction of the JT distortion up to 10 GPa. Above this pressure we observe, by optical absorption and Raman spectroscopy, a first-order phase transition at 11 GPa with phase coexistence in the 10-12 GPa range, as it is confirmed by Raman spectroscopy. The absorption spectra suggest that two different Cu 2+ sites are formed in the high pressure phase, each having rather diffe…
Millimeter wave absorption by confined acoustic modes in CdSe/CdTe core-shell quantum dots
2007
International audience; Taking advantage of the specific core-shell charge separation structure in the CdSe/CdTe core-shell Type-II quantum dots (QDs), we experimentally observed the resonant-enhanced dipolar interaction between millimeter-wave (MMW) photons and their corresponding (l = 1) confined acoustic phonons. With proper choice of size, the absorption band can be tuned to desired frequency of MMW imaging. Exploiting this characteristic absorption, in a fiber-scanned MMW imaging system, we demonstrated the feasibility of CdSe/CdTe QDs as the contrast agents of MMW imaging.
Local dynamics and phase transition in quantum paraelectric SrTiO3 studied by Ti K-edge x-ray absorption spectroscopy
2016
Strontium titanate is a model quantum paraelectric in which, in the region of dominating quantum statistics, the ferroelectric instability is inhibited due to nearly complete compensation of the harmonic contribution into ferroelectric soft mode frequency by the zero- point motion contribution. The enhancement of atomic masses by the substitution of 16 O with 18O decreases the zero-point atomic motion, and low-T ferroelectricity in SrTi18O3 is realized. In this study we report on the local structure of Ti in SrTi16O3 and SrTi18O3 investigated by Extended X-ray Absorption Fine Structure measurements in the temperature range 6 - 300 K.
Interpretation of the U L3-edge EXAFS in uranium dioxide using molecular dynamics and density functional theory simulations
2016
X-ray absorption spectroscopy is employed to study the local structure of pure and Cr-doped UO2 at 300 K. The U L3-edge EXAFS spectrum is interpreted within the multiplescattering (MS) theory using the results of the classical and ab initio molecular dynamics simulations, allowing us to validate the accuracy of theoretical models. The Cr K-edge XANES is simulated within the full-multiple-scattering formalism considering a substitutional model (Cr at U site). It is shown that both unrelaxed and relaxed structures, produced by ab initio density functional theory (DFT) calculations, fail to describe the experiment.
Zn K-edge XANES in nanocrystalline ZnO
2007
Zn K-edge XANES in ZnO has been calculated within the full-multiple-scattering (FMS) and finite difference method (FDM) formalism using the ab initio FDMNES code. The influence of non-muffin-tin potential, bulk defects, surface termination and polarization effects on XANES has been analysed. The obtained theoretical results are compared with available experimental data for polycrystalline and nanocrystalline zinc oxide systems.
Nanoscale x-ray absorption spectroscopy using XEOL-SNOM detection mode
2007
The first results obtained with the prototype system at the synchrotron beamline ID03 at ESRF are presented and illustrate the possibility to detect an element-specific contrast and to perform nanoscale x-ray absorption spectroscopy experiments at the Zn K and W L 3 absorption edges in mixed zinc oxide-zinc tungstate thin films.
An accurate optical technique for measuring the nuclear polarisation of 3He gas
2010
12 pages; International audience; In the metastability exchange optical pumping cells of our on-site production unit and of our other experimental set-ups, we use a light absorption technique to measure the 3He nuclear polarisation. It involves weak probe beams at 1083 nm, that are either perpendicular or parallel to the magnetic field and cell axis, with suitable light polarisations. When metastability exchange collisions control the populations of the sublevels in the 23S state, absolute values of the 3He ground state nuclear polarisation are directly inferred from the ratio of the absorption rates measured for these probe beams. Our report focuses on the transverse detection scheme for w…
Ab initio molecular dynamics simulations of the Sc K-edge EXAFS of scandium trifluoride
2016
Scandium fluoride ScF3 has a simple cubic structure and attracts attention due to its large negative thermal expansion (NTE) over a wide range of temperatures (0-1100 K). In this study we present ab initio molecular dynamics (AIMD) simulations of ScF3 and their validation using the Sc K-edge EXAFS spectra in the temperature range from 300 K to 1000 K measured at the XAFS beamline of ELETTRA. The obtained results allow an assessement of the employed AIMD model and provide insight into the local structure and the lattice dynamics of ScF3 beyond the harmonic approximation. A strong anisotropy of the fluorine atom vibrations in the direction orthogonal to the -Sc-F-Sc- chain is observed. An exp…
Spektroskopische analyse mehrfacher methacrylsäureester von oligo[(2-hydroxy-1,3-phenylen)methylen]en mittels UV-, IR-, 1H NMR- und massenspektren
1977
The structures of two homologous series of oligo[(2-hydroxy-1,3-phenylene)methylene]s completely esterified with methacrylic acid, were spectroscopically analysed. The molar decadal absorption coefficients of ultraviolet absorption maxima of the two homologous series confirm Hunter's relation. The vinylidene, ester, and substitution bands of the infrared spectra as well as the mass spectra agree with the accepted structures. The 1H NMR spectra permit to differentiate between exterior and interior groups of the molecules.
Modeling Tyrosinase and Catecholase Activity Using New m-Xylyl-Based Ligands with Bidentate Alkylamine Terminal Coordination
2012
Chemical model systems possessing the reactivity aspects of both tyrosinase and catechol oxidase are presented. Using two m-xylyl-based ligands providing bidentate alkylamine terminal coordination, 1,3-bis[(N,N-dimethylaminoethyl)aminomethyl]benzene (L(H,H)) and 1,3-bis[(N,N,N'-trimethylaminoethyl)aminomethyl]benzene (L(Me,Me)), four new dicopper(I) complexes, [Cu(I)(2)(L(H,H))(MeCN)(4)][ClO(4)](2) (1), [Cu(I)(2)(L(H,H))(PPh(3))(2)(MeCN)(2)][ClO(4)](2) (2), [Cu(I)(2)(L(Me,Me))(MeCN)(2)][ClO(4)](2) (3), and [Cu(I)(2)(L(Me,Me))(PPh(3))(2)][ClO(4)](2) (4), have been synthesized and characterized. Complex 2 has been structurally characterized. Reaction of the dicopper(I) complex 3(2+) with diox…