261 resultados para Ketene Valence Isomers


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Following Ioffe's method of QCD sum rules the structure functions F2(x) for deep inelastic ep and en scattering are calculated. Valence u-quark and d-quark distributions are obtained in the range 0.1 less, approximate x <0.4 and compared with data. In the case of polarized targets the structure function g1(x) and the asymmetry Image Full-size image are calculated. The latter is in satisfactory agreement in sign and magnitude with experiments for x in the range 0.1< x < 0.4.

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The effect of cobalt salicylate on the oxidative degradation and ignition of polystyrene has been studied. It was found that cobalt salicylate sensitizes both the degradation and ignition of polystyrene by facilitating electron-transfer processes in the propagation step. From thermochemical and kinetic studies it was found that the cobalt ion, owing to its ability to exist in variable valence states, promotes electron transfer in the propagation step of polymer degradation, increasing the rate of propagation and consequently the overall rate. Using solid-phase thermal ignition theory, an attempt has been made to explain the sensitization of ignition by the cobalt ion.

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We report phonon renormalization in bilayer graphene as a function of doping. The Raman G peak stiffens and sharpens for both electron and hole doping as a result of the nonadiabatic Kohn anomaly at the Gamma point. The bilayer has two conduction and valence subbands, with splitting dependent on the interlayer coupling. This gives a change of slope in the variation of G peak position with doping which allows a direct measurement of the interlayer coupling strength.

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Surface composition and depth profile studies of hemiplated thin film CdS:CuzS solar cells have been carried out using x-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES) techniques. These studies indicate that the junction is fairly diffused in the as-prepared cell. However, heat treatment of the cell at 210°C in air relatively sharpens the junction and improves the cell performance. Using the Cu(2p3p)/S(2p) ratio as well as the Cu(LVV)/(LMM) Auger intensity ratio, it can be inferred that the nominal valency of copper in the layers above the junction is Cut and it is essentially in the CUSS form. Copper signals are observed from layers deep down in the cell. These seem to appear mostly from the grain boundary region. From the observed concentration of Cd, Cu and S in these deeper layers and the Cu(LVV)/(LMM) ratio it appears that the signals from copper essentially originate partly from copper in CuS and partly from Cu2t trapped in the lattice. It is significant to note that the nominal valence state of copper changes rather abruptly from Cut to Cuz+ across the junction.

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Ce(3d) and (4d) core level XPS spectra of CeX = Fe, Co, Ni and Cu) suggest that the mean valence of Ce was as well as 4f hybridization strength decrease systematically from Fe to Cu. This observation is in agreement with the results of Bremstrahlung Isochromat Spectroscopy (BIS), but in disagreement with LIII-edge data reported earlier.

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An Auger study of the oxidation of zinc has been carried out to confirm that the relative intensities of the metal lines in election-beam induced Auger spectra are directly proportional to the number of valence electrons and therefore of direct use in investigating surface oxidation of metals.

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We present a low-frequency electrical noise measurement in graphene based field effect transistors. For single layer graphene (SLG), the resistance fluctuations is governed by the screening of the charge impurities by the mobile charges. However, in case of Bilayer graphene (BLG), the electrical noise is strongly connected to its band structure, and unlike single layer graphene, displays a minimum when the gap between the conduction and valence band is zero. Using double gated BLG devices we have tuned the zero gap and charge neutrality points independently, which offers a versatile mechanism to investigate the low-energy band structure, charge localization and screening properties of bilayer graphene

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Raman and infrared spectra of imidazoline-2-thione (IMZT) and imidazoline-2-one (IMZO) have been recorded. Normal coordinate analyses have been performed for all the fundamental vibrations of IMZT, IMZT-d2 and IMZO employing a Urey—Bradley potential function supplemented with valence type force constants for the out of plane modes. The results of the vibrational analyses are discussed in relation to the assignments in related molecules. The vibrational assignments for IMZT and IMZO have been compared with those in structurally similar molecules and the need to obtain more reliable band assignments for some of the molecules considered is emphasised.

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The Raman and infrared spectra of N-(2-pyridyl) thioformamide and N-(2-pyridyl)-thioacetamide have been measured. The assignment of the bands is aided by the complete normal coordinate treatment for all the vibrations of N-(2-pyridyl)thioformamide and its N-deuterated molecule using a Urey—Bradley force function for the in-plane vibrations and a valence force function for the out of plane vibrations. Variable temperature 1H NMR study of the two pyridylthionamides has also been performed. It is inferred that while N-(2-pyridyl)thioformamide favours a cis —CSNH— group, the other compound favours a trans —CSNH— grouping at ambient temperature.

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Metal Auger intensity ratios of the type Z(CVV)/I(CC'V) and Z(CVV)/Z(CC'C"), where C, C' and C" denote core levels and V stands for a valence level, are shown to increase progressively with the number of valence electrons in the metal in the case of second-row transition metals and their oxides. Metal Auger intensity ratios in chalcogenides of transition metals can be correlated by taking the effective atomic charge on the metal into consideration. The possible use of metal Auger intensity ratios in the study of surface oxidation of second-row transition metals is illustrated in the case of zirconium.

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The chemical shifts in the X-ray K-absorption edge of strontium in various compounds and in six minerals are measured using a single crystal X-ray spectrometer. Besides valence, the shifts are found to be governed by ionic charges on the absorbing ions, which are calculated employing Pauling's method. For the minerals the plot of chemical shift against the theoretically calculated ionic charges is used to determine the charges on the strontium ions.

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Several N,N-²-arylalkyl thioureas were examined with 1H-NMR and i.r. spectra in order to study the conformation of the -NHCSNH- group. The influence of temperature and substituents on the chemical shift of the N---H protons has been investigated. Formation of a strong intramolecular hydrogen bond stabilizes the trans-cis conformation for most systems, while for the others the prevalence of different rotational isomers can be postulated. The influence of the steric effect on hydrogen bonding and molecular conformation is discussed.

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Experimental evidence for strong electron-electron interactions in polyacetylene is presented. These include (i) observation of a dipole forbidden state below the optical gap, (ii) observation of negative spin densities at sites at which noninteracting models predict zero spin density (iii) vanishing optical gap, in the infinite chain limit, in the closely related symmetrical linear cyanine dyes. To correctly explain these features it is necessary to solve correlated model Hamiltonians. Using diagrammatic valence bond method model exact solutions of correlated models of finite-size systems can be obtained and various physical properties of the low-lying states can be computed. These properties, when extrapolated to the infinite chain limit explain many of the experimental features observed in polyacetylene.

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Surface oxidation of Cd, In, Sn and Sb has been investigated by employing valence bands, metal 4d levels and plasmon bands in X-ray photoelectron spectra. O(KLL), metal M4N45N45, and plasmon transitions in electron-induced Auger spectra as well as Auger transitions due to the metal (metal oxide) and plasmons in X-ray-induced Auger spectra. The surface oxides are In2O4, CdO and a mixture of SnO and SnO2 in the case of In. Cd and Sn respectively. The facility of surface oxidation is found to vary as In>Cd>Sn>Sb. Inter-atomic Auger transitions involving oxygen valence bands have been identified on oxidized surfaces of Cd and In.

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Pyrolysis of (eta(5)-C5Me5WH3)B4H8, 1, in the presence of excess BHCl2 center dot SMe2 in toluene at 100 degrees C led to the isolation of (eta(5)-C5Me5W)(2)B5H9, 2, and B-Cl inserted (eta(5)-C5Me5W)(2)B5H8Cl, 3, and (eta(5)-C5Me5W)(2)B5H7Cl2, (four isomers). All the Chlorinated tungstaboranes were isolated as red and air and moisture sensitive solids. These new compounds have been characterized in solution by H-1, B-11, C-13 NMR, and the structural types were unequivocally established by crystallographic analysis of compounds 3, 4, and 7. Density functional theory (DFT) calculations were carded out on the model molecules of 3-7 to elucidate the actual electronic structures of these chlorinated species. On grounds of DFT calculations we demonstrated the role of transition metals, bridging hydrogens, and the effect of electrophilic substitution of hydrogens at B-H vertices of metallaborane structures.