Molecular and Electronic Structure of Trimethylsilylpropiolamides |
| |
Authors: | G I Sarapulova M V Andreev L P Safronova A S Medvedeva |
| |
Institution: | (1) Siberian Division, Russian Academy of Sciences, Faworsky Irkutsk Institute of Chemistry, Irkutsk, 664033, Russia |
| |
Abstract: | The specific features of molecular and electronic structure of trimethylsilylpropiolic acid amides were studied by means of IR spectroscopy and quantum chemistry (AM1). The competition between p, -conjugation in the amide fragment and , -conjugation in the ethynylcarbonyl group C C-C=O was established. The prevailing conformers were revealed, their geometrical parameters were established, the barriers to internal rotation around the amide C-N bond were calculated for acyclic (13 kcal mol-1) and heterocyclic (8.12 kcal mol-1) amides. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|