Silacyclohexanes, Sila(hetero)cyclohexanes and Related Compounds: Structure and Conformational Analysis

Molecules

BagratA. Shainyan¹ 

[1] A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of Russian Academy of Science, 1 Favorsky Street, Irkutsk 664033, Russia;

关键词: conformational analysis;    structure;    silicon-containing heterocycles;    GED;    LT NMR;    theoretical calculations;   

DOI  :  10.3390/molecules25071624

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown