| Autor: |
Shustov, G., Kachanov, A., Denisenko, S., Kostyanovskii, R. |
| Zdroj: |
Bulletin of The Russian Academy of Sciences, Division of Chemical Science; 1992, Vol. 41 Issue 11, p2028-2033, 6p |
| Abstrakt: |
MNDO calculations were carried out of the ground and transitional states of the planar inversion of the N atom for ketenimines containing σ (Me, NH, OH, OMe, and F) and π (CH = O) acceptor N substituents as well as for C-amino- and C-formylketenimines. Configurationally stable N-amino-, N-alkoxy-, and N-fluoroketenimines (inversion barriers ∼27-45 kcal/mole) are of interest for further experimental stereochemical studies. The geometry of the ketenimine fragment is determined in general by n-π* conjugation. Other orbital and Coulombic interactions affect C- and N-substituent orientation relative to this fragment. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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