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101.
Large single crystals of NbP have been prepared. A single-crystal X-ray diffraction study shows that it crystallizes in tetragonal symmetry with space group I4(1)md (No. 109) and lattice parameters a = 3.3324(2) ?, c = 11.3705(7) ?, and Z = 4. A full matrix least-squares refinement based on a unique data set of 285 reflections (I> 2sigma(I)) yielded R(F) = 0.017 and R(w)(F(2)) = 0.046 for nine variables. The unit cell consists of one unique Nb and one P, each in trigonal prismatic coordination with the other element. There are two short and four long bond distances of Nb-P. The Nb-Nb bond distances are significantly shorter than R(c) = 4.09 ?, the critical distance required for good Nb-Nb 4d orbital overlap for niobium metal-metal bonds. NbP shows metallic behavior with rho = 4.5 x 10(-)(5) Omega cm at room temperature. Magnetic susceptibility measurements on a collection of randomly oriented single crystals indicate very weak Pauli paramagnetism ( approximately 10(-)(5) emu/mol). A discussion of the structure as well as the physical properties of NbP compared with those of previous results are presented. The band structure of NbP based on the extended Hückel (tight-binding) calculations is presented along with an analysis that reveals that the valence band is built up from three center bonds localized within Nb(3) triangles. 相似文献
102.
Parametric normalization for full-energy peak count rates obtained at different geometries 总被引:1,自引:0,他引:1
Tian Weizhi Ni Bangfa Wang Pingsheng Peng Lixin 《Journal of Radioanalytical and Nuclear Chemistry》1993,170(1):27-42
The Effective Interaction Depth (EID) law has been systematically studied and applied to parametric normalization for peak count rates obtained at different source-detector distances (S-D). The errors caused by EID normalization are less than 4% over the full range of S-D (from to several mm) for true coincidence-free -rays. Parametric corrections for the true coincidence (summing) effect are also established, based on simplified decay schemes and P/T ratio determinations. The total response of Ge detector for single-energy -rays (T) is clearly defined with scattering contributions from surroundings included. Errors from summing effect corrections are also less than 4%. The combined EID normalization and summing effect corrections give an error no greater than 5.7% for the worst situations (several mm S-D and cascade-crossover decay scheme), acceptable for most practical K0 NAA. 相似文献
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106.
The addition of carboxylic acids to terminal alkynes is efficiently catalyzed by the early transition-metal complex Re(CO)5Br in toluene or n-heptane at 110 degrees C in an air atmosphere, affording the anti-Markovnikov adducts in good yields with high selectivity. In most cases, the reactions afford unusual Z-adduct predominantly. When n-heptane was used as solvent, Re(CO)5Br can be partly recovered from the reaction mixture. 相似文献
107.
Tian SX 《The journal of physical chemistry. A》2005,109(20):4428-4430
Dialane anions can be formed via a single three-center two-electron (3c-2e) or two-center one-electron (2c-1e) bond. The 2c-1e bonded anion Al(2)H(6)(-)(D(3)(d)) and the 3c-2e bonded anion Al(2)H(6)(-)(C(s)) have significant thermodynamic stabilities with respect to the neutral Al(2)H(6)(D(2)(h)) and correspond to 0.22 and 0.32 eV of the adiabatic electron affinities, respectively. In particular, the 2c-1e bond plays an essential role in stabilizing the Al(2)H(6)(-)(D(3)(d)) anion. 相似文献
108.
定域分子轨道在分子体系的化学图象和物理图象之间充当重要的桥梁作用,它的产生依赖于定域化准则,其中最普遍使用的是Foster-Boys和Edmiston-Ruedenberg(E—R)提出的两种定域化准则。这两种定域化准则是等价的,因而结果也是一致的。但对于E—R定域化来说,由于涉及到大量的多中心积分的计算,计算极为费时,因而远不如Foster-Boys定 相似文献
109.
Determination of Partial Molar Volumes of EPA and DHA Ethyl Esters in Supercritical Carbon Dioxide 总被引:4,自引:0,他引:4
Mei HUANG Xian Da WANG Ren Tian XIONG Ping Dong WU Qi Long REN* National Laboratory of Secondary Resources Chemical Engineering Zhejiang University Hangzhou 《中国化学快报》2002,13(1)
The use of supercritical fluids (SCFs) as solvents has been attracting widespread interest in the research and commercial applications. The study of partial molar volumes of solutes at infinite dilution in the near-critical region is of considerable fundamental importance, as these data reflects the interactions occurring between the solute and the solvent. Experimental measurements of partial molar volumes may be divided into two categories: direct and indirect methods. The direct methods… 相似文献
110.