Thecis-trans energy difference in bi-1-cyclopro-pen-1-yl and related compounds

Thecis-trans energy difference of bi-1-cyclopropen-1-yl and the fluorosubstituted derivatives are studied byab initio methods in order to establish the stability of the cis andtrans diene isomers.The results of theab initio method STO-3G points toward thetrans bi-1-cyclopropen-1-yl as the most stable isomer (0.2kcal/mol). The energy of the transition state is about 2.5 kcal/mol above that of thetrans isomer. The electronic transitions of the isomers are also reported.Senior Fullbright-Hays Scholar to Uruguay.