Collect. Czech. Chem. Commun.
1982, 47, 277-285
https://doi.org/10.1135/cccc19820277
(E-Z)-Isomerization of unsaturated esters X-CH=CH-COOCH3
Václav Všetečka, Jaroslav Pecka and Miloš Procházka
Department of Organic Chemistry, Charles University, 128 40 Prague 2
Abstract
Total energy differences for a series of (E) and (Z) isomers of unsaturated esters X-CH=CH-COOCH3 have been calculated by the CNDO/2 method. The applicability of this method to the prediction of relative stabilities of (E) and (Z) isomers and their optimal conformations was checked by comparison with the experimental data.
