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Silacyclohexanes, Sila(hetero)cyclohexanes and Related Compounds: Structure and Conformational Analysis
Molecules ( IF 4.6 ) Pub Date : 2020-04-01 , DOI: 10.3390/molecules25071624
Bagrat A Shainyan 1
Affiliation  

Conformational analysis of Si-mono- and Si,Si-disubstituted silacyclohexanes as well as their analogues with a heteroatom(s) in the ring is reviewed with the focus on the recent results. Experimental measurements in the gas phase (gas electron diffraction, GED) and low temperature NMR spectroscopy (LT NMR) on 1H, 13C and 29Si nuclei are described along with theoretical calculations at the DFT and MP2 levels of theory. Structural and conformational specific features are shown to be principally different from those of the carbon predecessors—the corresponding cyclohexanes, oxanes, thianes and piperidines. The role of various effects (steric, hyperconjugation, stereoelectronic, electrostatic) is demonstrated.

中文翻译:

硅环己烷、硅(杂)环己烷和相关化合物:结构和构象分析

对单硅和硅,硅二取代的硅杂环己烷及其环中带有杂原子的类似物的构象分析进行了综述,重点是最近的结果。描述了在 1H、13C 和 29Si 核上的气相(气体电子衍射,GED)和低温 NMR 光谱(LT NMR)中的实验测量以及 DFT 和 MP2 理论水平的理论计算。结构和构象特征主要不同于碳的前身——相应的环己烷、氧烷、噻烷和哌啶。展示了各种效应(立体、超共轭、立体电子、静电)的作用。
更新日期:2020-04-01
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