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)
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|
|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|
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