K. Takeshita
Nov 1, 1985
Citations
0
Influential Citations
6
Citations
Journal
Journal of Molecular Structure-theochem
Abstract
Abstract The geometrical structure of 2-cyclopropylpropene and 1,1-dicyclopropyl ethylene has been determined by means of the ab initio SCF gradient method. The most stable conformation of 2-cyclopropylpropene has a gauche structure and the internal rotation angle between the cyclopropyl ring and the vinyl group is calculated to be 62°. The most stable conformation of 1,1-dicyclopropyl ethylene also has a gauche structure and the internal rotation angles between one of two cyclopropyl rings and the vinylidene group are 64°.