Configurational assignment of carbon, silicon and germanium containing propynal oximes by means of 13C-1H, 13C-13C and 15N-1H spin-spin coupling constants |
| |
| Authors: | Chernyshev Kirill A Krivdin Leonid B Larina Lyudmila I Konkova Tatiana V Demina Maria M Medvedeva Alevtina S |
| |
| Affiliation: | A. E. Favorsky Institute of Chemistry, Irkutsk, Siberian Branch of the Russian Academy of Sciences, Favorsky St. 1, 664033 Irkutsk, Russia. |
| |
| Abstract: | Configurational assignment of five carbon, silicon and germanium containing propynal oximes has been carried out by means of experimental measurements and high-level ab initio calculations of their 13C-1H, 13C-13C and 15N-1H spin-spin coupling constants. The title compounds were shown to exist in the nonequilibrium mixture of E and Z isomers with the energy difference of less than 0.3 kcal/mol calculated at the MP2/6-311G** level. |
| |
| Keywords: | NMR 13C NMR spin–spin coupling constant SOPPA(CCSD) configurational assignment propynal oximes |
| 本文献已被 PubMed 等数据库收录！ |
|
