Quantitative Analysis of Spectral Effects due to the Z/E Conformational Equilibria in Derivatives of the Amides and Hydrazides of Dicarboxylic Acids

Autor:	O. A. Gorkunenko, G. E. Vaiman, L. M. Kapkan, A. N. Vdovichenko, A. Yu. Chervinskii
Rok vydání:	2004
Předmět:	Quantitative Biology::Biomolecules Electron density 1h nmr spectroscopy Computational chemistry Stereochemistry Chemistry Chemical shift Electronic effect Molecule Redistribution (chemistry) General Chemistry
Zdroj:	Theoretical and Experimental Chemistry. 40:12-16
ISSN:	0040-5760
DOI:	10.1023/b:thec.0000020760.57178.e9
Popis:	The contributions from anisotropic magnetic screening and electronic effects to the relative chemical shifts of the NH protons in the amides and N,N-dimethylhydrazides of succinic and glutaric acids were calculated. It was shown that the splitting of the signals of the NH protons is largely determined by the redistribution of electron density in the molecule during the conformational transition.
Databáze:	OpenAIRE
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