INDO-MO conformational study of cyclic α-acyloxy radicals derived from γ-lactones

摘要: Abstract As an extension of earlier comprehensive INDO-MO-SCF studies in this laboratory acyclic, aliphatic carboxylic-ester radicals, we present the results a similar INDO-based conformational investigation analogous cyclic α-acyloxy where R is H or CH3, for which isotropic EPR proton splitting-constant data over temperature range 10–40°C are recently available. This shows that may successfully account observed data, each these terms nonplanarity at radical site accompanied by rapid inversion, out-of-plane vibration C α R bond, and envelope-type ring motion.