A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of Russian Academy of Science, 1 Favorsky Street, 664033 Irkutsk, Russia.
Molecules. 2020 Apr 1;25(7):1624. doi: 10.3390/molecules25071624.
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 H, C and Si 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.
硅单取代和硅, 硅双取代的硅杂环已烷以及其环中含有杂原子的类似物的构象分析，重点介绍了最新的研究结果。描述了气相（电子衍射，GED）和低温 NMR 光谱（LT NMR）在 H、C 和 Si 核上的实验测量，以及 DFT 和 MP2 理论水平的理论计算。结构和构象的特征与前体 - 相应的环己烷、氧杂环丁烷、噻烷和哌啶有很大的不同。展示了各种效应（空间位阻、超共轭、立体电子、静电）的作用。
