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181.
182.
SynthesisandCharacterizationofChiralLiquidCrystalCMPPCDPTIANYan-qing,ZHAOYing-ying,SUFeng-yuandTANGXin-yi(DepartmentofChemist... 相似文献
183.
硅杂环丁烷在有机硅化学中是一类非常重要的小分子环系化合物。由于硅杂环丁烷和环丁烷的环张力相似,因而显示出较高的反应活性。例如能与某些试剂作用,生成开环产物;在光解或热解条件下,产生具有Si=C结构的高活性中间体,可用以合成多种有机硅化合物。 相似文献
184.
I. A. Machkarovskaya K. Ya. Burshtein V. A. Petrosyan 《Russian Chemical Bulletin》1995,44(11):2053-2059
A series ofS
N2 reactions with halomethanes as substrates and the corresponding anions as nucleophiles were studied by the semiempirical MNDO and AM1 methods, taking into account solvent effects. Analysis of the kinetics, structures of reagents, intermediates and products, and charge distribution in them allows one to draw the conclusion that the retardation ofS
N2 reactions is stronger in solvents than in the gas phase, and the rates of reactions involving anions with a lower number of halogen atoms are higher.For Part 8 see Ref. 1.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 11, pp. 2148–2154, November, 1995.This work was partially financially supported by the International Science Foundation (Grant No. MHYOO). 相似文献
185.
The geometries,heats of formation and electronic structures of 15 azido-derivatives of 1,2,3-TNB (Ⅰ),1,2,4-TNB (Ⅱ) and 1,3,5-TNB (Ⅲ) have been studied using quantum chemical AMI method at HF level.The effect of azido substitution on the structures and properties of TNBs has been discussed and the relative stability of the title compounds has been established.The processes of the decomposition of the title compounds by breaking C-NO2,C-N3 and CN-N2 bonds are investigated at UHF-AM1 level.It is shown that the decomposition of the title compounds may be initiated by the cleavage of both C-NO2 and N-N2 bonds. 相似文献
186.
M. G. Voronkov L. I. Larina Yu. I. Bolgova O. M. Trofimova N. F. Chernov V. A. Pestunovich 《Chemistry of Heterocyclic Compounds》2006,42(12):1585-1591
The 1H, 13C, 15N, and 29Si NMR, IR, and UV spectra of N-(1-silatranylmethyl) and N-(trimethoxysilylmethyl) derivatives of nitrogen heterocycles have
been studied. The dependence and interrelation of the chemical shifts of 29Si and 15N nuclei of the silatranyl group in the spectra of N-(1-silatranylmethyl)-substituted nitrogen heterocycles are determined
by the nature of the heterocyclic system.
__________
Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 12, pp. 1857–1865, December, 2006. 相似文献
187.
用AM1方法(采用非限制的Hartree-FockUHF计算)研究乙烯与环己-1,3-二烯的热Diels-Alder反应。结果表明反应是放热的且存在两条竞争的路径;协同反应的活化能以及双自由反应速度控制步骤的活化能分别为112.667kJ/mol和78.406kJ/mol。 相似文献
188.
Alkynyl-substituted indene was first used as a ligand for the synthesis of transition metal complexes. ansa-Zirconocenes containing ethylene and dimethylsilylene bridges were synthesized starting from 2-(phenylethynyl)-1H-indene. The structure of the former compound was established by X-ray diffraction.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 68–73, January, 2007. 相似文献
189.
正已醇-邻、间、对二甲苯二元系固液相平衡 总被引:1,自引:0,他引:1
Melting temperatures have been measured and the solid-liquid phase diagrams constructed for 1-hexanol+o-xylene, 1-hexanol+m-xylene and 1-hexanol+p-xylene. They are simple eutectic systems. Excess mole Gibbs free energies were calculated at 298.15K, showing larger positive deviations from ideal-solution behavior. The largest values of GmE are 711、 650 and 800 J•mol-1 for {o-C6H4(CH3)2+C6H13OH}、 {m-C6H4(CH3)2 + C6H13OH} and {p-C6H4(CH3)2+C6H13OH} respectively. 相似文献
190.
Gáti T Simon A Tóth G Magiera D Moeller S Duddeck H 《Magnetic resonance in chemistry : MRC》2004,42(7):600-604
Adducts of four phosphine chalcogenides with the chiral dirhodium complex ([Rh-Rh]) were investigated by variable-temperature 1H and 31P NMR spectroscopy in order to compare their properties as axial ligands. Whereas the selenide (1) and the sulfide (2) are strong ligands with electrostatic attraction and, in addition, a significant orbital (HOMO-LUMO) interaction, the phosphine oxide compounds (P=O) bind primarily via electrostatic attraction and are relatively weak donors. Moreover, the overall bond strength in these adducts depends on steric congestion around the P=O group. 相似文献