Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5394830 | Computational and Theoretical Chemistry | 2012 | 6 Pages |
Abstract
⺠Theoretical calculations are applied to conformational study of (z)-[(2-iminoethylidone)silyl]amine. ⺠The NBO and AIM analyses were used to discuss the origin of conformational preference and hydrogen bond strength. ⺠We calculated energy gap of HOMO-LUMO to explain the eventual charge transfer interaction within the conformers.
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Physical and Theoretical Chemistry
Authors
Heidar Raissi, Mehdi Yoosefian, Samaneh Khoshkhou,