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811.
A new Li-containing quaternary nitride, Li4Sr3Ge2N6, was obtained as single crystals from constituent elements in molten Na. It crystallizes in space group C2/m (No. 12) with a=6.1398(7) Å, b=10.021(1) Å, c=6.3130(7) Å, β=91.279(2)°, and Z=2. It contains the first example of isolated nitridogermanate anions of Ge2N610−, which is also the first example of edge-sharing tetrahedral [GeN4]. 相似文献
812.
用密度泛函理论研究Lennard-Jones 流体在狭缝中的相平衡 总被引:1,自引:0,他引:1
用改进的基础度量理论(modified fundamental measure theory, MFMT)和密度Taylor展开分别表达过剩自由能中的短程作用和色散作用. 流体分子与狭缝壁之间的相互作用以10-4-3势能函数表达. 由巨势最小原理确定Lennard-Jones (LJ)流体在狭缝中的密度分布和过剩吸附量, 所得结果与分子模拟数据吻合良好. 根据平衡时两相温度, 化学势及巨势相等, 计算了LJ流体在狭缝中的相平衡. 相似文献
813.
A systematic quantum chemical characterization of intrinsic structure, energies and spectral properties of all the studied cross-link adducts formed by the novel trans platinum with thiazole ligand has been carried out at B3LYP/6-31G^* level of theory with the Lanl2dz pseudo potential basis set for the Pt atom. Special attention has been paid to the relative stability of these complexes and the factors that probably alter the order of the relative stability. The important influence of hydrogen bond on the structures, the energies and the spectral property was revealed. Other factors that contribute to relative stability including solvation effect, entropy and electronic delocalization energy were taken into account. The stability energy of the whole complex, and the interaction energy between two purine bases and the [Pt-(NH3)thiazole]^2+ group were adopted to study the interplay among subsystems and their contribution to relative stability of all the studied cross-link model. Finally, basic spectral properties of these complexes including H(8) chemical shifts of all the studied complexes and the VCD (vibrational circular dichroism) spectra of two pairs of GG chelate enantiomers, were provided in order to define the structure of the most possible duplex bearing novel trans platinum drug lesions. 相似文献
814.
815.
对合肥市16671名1-12个月幼儿的发锌,钙含量进行了测定,并对测定值进行了统计分析。结果表明,锌,钙的含量随着月龄的增加呈直线递减。并给出了发锌,钙含量的趋势线方程,丰富了目前文献给出的发锌,钙的标准值,为及时准确判断周岁内幼儿微量元素锌,钙缺乏程度提出依据。 相似文献
816.
The ESR signals of bilirubin-IXα were studied including the samples treated with free radical generating and inhibiting systems, i.e.X-X0., Fe/EDTA, SOD, mannitol/ascorbate, DTPA, KCN et al.These stable signals all comprise those originated from a semiquinone radical(g=2.0012)and superoxide radical(g11=2.041, g⊥=2.0040).The latter is shown to be bound with metal ionsespecially iron, chelated by bilirubin.The iron probably comes from bilirubin precursor---hemootobin.Active oxygen free radical scavengers may destroy these radicals.Kinetic curves of regeneration of the bilirubin radicals have been determined.Bilirubin is discussed as"active oxygen trap"in mammatians. 相似文献
817.
低分子量溴代聚苯乙烯的制备及应用 总被引:5,自引:0,他引:5
用溶液法合成了一系列低分子量的聚苯乙烯,其溴化产物(Br-PS)的溴含量和热稳定性与美国同类产品Pyro-Chek LM相当,分别用作聚苯乙烯树脂的阻燃剂,极限氧指数测定结果表明,其阻燃性也达到了Pyro-Chek LM的水平。 相似文献
818.
819.
820.
LI Guo-Qing LI Yan ZOU Wen-Qiang CHEN Qi-Yong WU A-Qing ZHENG Fa-Kun GUO Guo-Cong 《结构化学》2007,26(7):805-810
A new dinuclear Tb(Ⅲ) 4-cyanobenzoate complex [Tb2(4-cba)6(phen)2] (4-Hcba = 4-cyanobenzoic acid and phen = 1,10-phenanthroline) 1 has been synthesized by solvothermal reaction in an ethanol/water mixed solution at 100℃ and structurally characterized by single-crystal X-ray diffraction. Crystallographic data: C72H40N10O12Tb2, Mr=1554.98, triclinic Pi, a = 9.903(3), b = 11.769(8), c = 15.078(8)A, a = 111.42(12), It = 96.37(19), γ = 101-24(14)°, V= 1572(1)A3, Z= 1, Dc = 1.642 g/cm^3, F(000) = 768 μ = 2.305 mm^-1, the final R = 0.0205 and wR = 0.0543 for 5479 reflections with I 〉 2σ(I). Structural analysis shows that 1 displays an isolated dinuclear structure. Two eight-coordinated Tb(Ⅲ) ions are bridged by four 4-cba ligands in the syn-syn bidentate coordination mode, and two other 4-cba ligands chelate these two Tb(Ⅲ) ions. The title complex molecules are connected through π-π stacking interactions to generate a one-dimensional supramolecular chain, The characteristic infrared spectra, luminescent properties and thermogravimetric analyses have also been discussed. 相似文献