Ab initio studies on proton transfer involving Schiff base and related nitrogen compounds

Sreerama, N. ; Vishveshwara, Saraswathi (1989) Ab initio studies on proton transfer involving Schiff base and related nitrogen compounds Journal of Molecular Structure, 212 . pp. 53-60. ISSN 0022-2860

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Official URL: http://www.sciencedirect.com/science/article/pii/0...

Related URL: http://dx.doi.org/10.1016/0022-2860(89)85067-7

Abstract

Proton transfer across cationic hydrogen bonds involving Schiff base, ammonia and related compounds has been studied at the 4-31G level. Proton transfer characteristics are correlated to the proton affinities of the species involved. Hydrogen bond strengths of these hydrogen bonds are correlated to the differences in the proton affinity of the donor and the acceptor. Influence of a neighbouring hydrogen bond on the proton transfer from Schiff base to ammonia and Schiff base to water is also discussed.

Item Type:Article
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ID Code:57085
Deposited On:26 Aug 2011 02:38
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