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

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

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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:	Journal Article
Publication:	Journal of Molecular Structure
Publisher:	Elsevier Science
Additional Information:	Copyright of this article belongs to Elsevier Science.
Department/Centre:	Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited:	19 Jul 2010 09:56
Last Modified:	19 Sep 2010 06:11
URI:	http://eprints.iisc.ac.in/id/eprint/30366

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