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31.
32.
Wenping Deng Gang Xu Lei Wan Anwen Liu Bo Gao Junhe Du Shuiming Hu Yang Chen 《Acta Physico》2008,24(8):1329-1334
Apparatus integrating a Fourier transform-infrared (FT-IR) spectrometer and a mid-infrared difference frequency generation (DFG) laser spectrometer was built for the study of the matrix isolation spectrum in solid molecular hydrogen. A 3-cm-long molecular hydrogen crystal was grown in a liquid-helium Dewar, and its infrared absorption spectrum in the 1-5 μm region was recorded to test the system. The W0(0) (ν=0←0, J=6←0) line around 2410 cm−1 of solid hydrogen was investigated with the DFG laser spectroscopy. High-resolution matrix isolation spectrum of CO2 co-deposited with hydrogen on a BaF2 cold plate at liquid-helium temperature was studied. 相似文献
33.
Periodic, self-consistent, density functional theory (GGA-PW91) calculations are performed for both surface and subsurface atomic hydrogen on and in Ni(1 1 1). At a low coverage (θ=0.25 ML), the binding energies (BEs) of a hydrogen atom in surface fcc, subsurface octahedral (first layer), and subsurface octahedral (second layer) sites are −2.89, −2.18, and −2.11 eV, respectively. The activation energy barriers for hydrogen diffusion from the surface to the first subsurface layer and from the first to the second subsurface layer are estimated to be 0.88 and 0.52 eV, respectively. In the entire coverage range studied, hydrogen occupies surface fcc and hcp sites and subsurface octahedral sites. In addition, the magnitude of the BE per hydrogen atom and the magnetization of the nickel slabs both decrease as hydrogen coverage increases. Vibrational frequencies of hydrogen at various surface and subsurface sites are calculated and are in reasonable agreement with experimental data. A phase stability calculation with a 2 × 2 surface unit cell shows that a p(2 × 2)-2H overlayer structure (θ=0.5 ML) and a p(1 × 1)-1H structure (θ=1.0 ML) are stable at low hydrogen pressures, in agreement with numerous experimental results. A very large increase in pressure is required to populate subsurface sites. After such an increase occurs, the first subsurface layer is filled completely. 相似文献
34.
Ilga Mutule 《Tetrahedron letters》2004,45(20):3909-3912
Arylzinc reagents were readily prepared from aryl iodides using a Zn-Cu couple in a microwave environment. A sequential arylzinc formation-Negishi cross-coupling protocol suitable for parallel high-throughput synthesis has been developed. 相似文献
35.
Dao-sheng Zheng 《计算数学(英文版)》1998,(2)
1.IntroductionSince1984,severalchinesemathematicianshaveobtailledmanyresultsboutmatrixoperatornormcondition.umbe.[ll'12'18].Twokindsmatrixconditionnllmbers[9]are:(1)IfAECoxsisnonsingular,thellunlberK.(A)~IIAll.llA--'if.iscalledtheor--normconditionnumberof… 相似文献
36.
THE NECESSARY AND SUFFICIENT CONDITIONS FOR THE SOLVABILITY OF A CLASS OF THE MATRIX INVERSE PROBLEM
Censider the solutions of the matrix inverse problem, which are symmetric positive semide finite on a subspace. Necessary and sufficient conditions for the solvability, as well as the general solution are obtained. The best approximate solution by the above solution set is given. Thus the open problem in [1] is solved. 相似文献
37.
The adsorption of CN on Cu(1 1 1), Ni(1 1 1) and Ni(1 0 0) has been investigated using density functional theory (DFT). While experimental studies of CN on Cu(1 1 1) show the molecular axis to be essentially parallel to the surface, the normally-preferred DFT approach using the generalised gradient approximation (GGA) yields a lowest energy configuration with the C-N axis perpendicular to the surface, although calculations using the local density approximation (LDA) do indicate that the experimental geometry is energetically favoured. The same conclusions are found for CN on Ni(1 1 1); on both surfaces bonding through the N atom is always unfavourable, in contrast to some earlier published results of ab initio calculations for Ni(1 1 1)/CN and Ni(1 0 0)/CN. The different predictions of the GGA and LDA approaches may lie in subtly different relative energies of the CN 5σ and 1π orbitals, a situation somewhat similar to that for CO adsorbed on Pt(1 1 1) which has proved challenging for DFT calculations. On Ni(1 0 0) GGA calculations favour a lying-down species in a hollow site in a geometry rather similar to that found experimentally and in GGA calculations for CN on Ni(1 1 0). 相似文献
38.
R. Cristescu G. Dorcioman E. Axente A. Moldovan T. Kocourek M. Albulescu D. Mihaiescu D.B. Chrisey 《Applied Surface Science》2006,252(13):4647-4651
We report the first successful deposition of triacetate-pullulan polysaccharide thin films by matrix assisted pulsed laser evaporation. We used a KrF* excimer laser source (λ = 248 nm, τ ≈ 20 ns) operated at a repetition rate of 10 Hz. We demonstrated by FTIR that our thin films are composed of triacetate-pullulan maintaining its chemical structure and functionality. The dependence on incident laser fluence of the induced surface morphology is analysed. 相似文献
39.
Santanu Bhattacharya Basudeb Saha Amitava Dutta Pradyot Banerjee 《Coordination chemistry reviews》1998,170(1):47-74
This review narrates the electron transfer reactions of various nickel(III) and nickel(IV) complexes reported during the period 1981 until today. The reactions have been categorized mainly with respect to the type of nickel complexes. The reactivity of nickel(III) complexes of macrocycles, 2,2′-bipyridyl and 1,10-phenanthroline, peptides and oxime–imine, and of nickel(IV) complexes derived from oxime–imine, oxime and miscellaneous ligands with various organic and inorganic electron donors have been included. Kinetic and mechanistic features associated with such interactions have been duly analyzed. The relevance of Marcus cross-relation equations in the delineation of the electron transfer paths has also been critically discussed. 相似文献
40.
Christel Laberty Jerzy Pielaszek Pierre Alphonse Abel Rousset 《Solid State Ionics》1998,110(3-4):293-302
Cation deficient spinels NixMn3−x□3δ/4O4+δ (0≤x≤1) have been prepared by thermal decomposition of mixed oxalates Nix/3Mn(3−x)/3(C2O4)·nH2O in air at 623 K. They have been characterised by temperature programmed reduction (TPR) under H2, the reaction being followed by gravimetric and powder X-ray diffraction measurements. It has been shown that TPR proceeds in several steps. The first steps correspond to the loss of nonstoichiometric oxygen leading to the formation of a stoichiometric oxide. During the following stages the manganese cations are reduced, causing the spinel structure to be destroyed, and the formation of solid solution of NiO in a cubic MnO. Subsequently, Ni2+ cations undergo a reduction to metallic nickel, and, finally, a mixture of nonstoichiometric MnO1−δ and metallic nickel is formed. These oxides contain a high level of vacancies which vary with the nickel content with a maximum of δ≈1 near x=0.6. This nonstoichiometry is ascribed both to the presence of Ni3+ and excess of Mn4+. 相似文献