Radical 1,4-phenyl migration favored by C-H•••O interaction. A theoretical investigation

Theoretical calculations provided strong evidences supporting the existence of C-H center dot center dot center dot O interactions that determine the rotamer equilibrium of chiral amide radicals derived from a-methylbenzylamine and, therefore, favors the radical 1,4-phenyl migration reaction. (C) 2012 Elsevier Ltd. All rights reserved.