Kulkarni, GV and Rao, Muralikrishna A (1984) Electronic energy levels of N-methyl derivatives of formamide and acetamide and their cation radicals. In: Proceedings of Indian Academy of Sciences, Chemical Sciences, 93 (8). pp. 1377-1384.
Full text not available from this repository. (Request a copy)Abstract
Both INDO and STO-3G calculations of formamide, acetamide, their N-Me and N,N-di-Me derivatives, and their cation radicals were carried out. The STO-3G calculations do not predict n, $\pi$ energy level crossing in the formamide series; such a crossing is predicted in the acetamide series. Changes in the electron distribution in going from neutral amides to their cation radicals indicate a $\pi$ type MO as the HOMO in all cases except acetamide. Both MO calculations indicate a lengthening of the amide C:O bond and a slight shortening of the amide $C-N$ bond in going from the neutral to the cation radicals. The amide unit essentially retains its planarity after removal of the electron.
| Item Type: | Journal Article |
|---|---|
| Publication: | Proceedings of Indian Academy of Sciences, Chemical Sciences |
| Publisher: | Indian Academy of Sciences |
| Additional Information: | Copyright of this article belongs to Indian Academy of Sciences. |
| Department/Centre: | Division of Chemical Sciences > Solid State & Structural Chemistry Unit |
| Date Deposited: | 05 May 2008 |
| Last Modified: | 27 Aug 2008 13:21 |
| URI: | http://eprints.iisc.ac.in/id/eprint/13836 |
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