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Teoret. i eksperim. khimiya. 2004. Vol.40 No. 1. p. 12-15

Quantitative Analysis of Spectral Effects Connected with Z/E Conformational Equilibrium

for Derivatives of Amides and Hydrazides of Dicarboxylic Acids

 

O. O. Gorkunenko, O. M. Vdovychenko, O. Yu. Chervinsky, L. M. Kapkan, G. E. Whyman


L. M. Litvinenko Institute of Physical-Organic and Coal Chemistry, National Academy of Sciences of Ukraine

70 R. Luxemburg Vul., 83114 Donetsk, Ukraine. Е-mail: gorkunenko@infou.donetsk.ua


The calculation of contribution of magnetic anisotropy and electronic effects to the relative chemical shifts of NH protons of amides N,N-dimethylhydrazides of succinic and glutaric acids has been done. It is shown that the doubling of signals of NH protons is basically determined by the redistribution of elec- tronic density in the molecule at the conformational transition.


Key words1H NMR spectroscopy, amidohydrazides of succinic and glutaric acids, Z/E conformational equilibrium,

chemical shifts.