Magnetic anisotropy of cyclopropane and epoxide rings

Abstract

MO LCAO results are presented for the interatomic contribution to the anisotropy of the diamagnetic susceptibility; values of δχd=-23.5 · 10-6 and δχd=-13.8 · 10-6 cm3/mole are obtained for the cyclopropane and epoxide ring systems, respectively. The results are used to interpret PMR spectra in terms of the configuration and conformation of the α and Β forms of caran-4-ol and two stereoisomers of caranone. © 1967 The Faraday Press, Inc.