Collect. Czech. Chem. Commun. 1982, 47, 277-285

(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


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.