Understanding homolytic translocation chemistry - An Ab initio study of some 1,5-transfers of silyl, germyl and stannyl groups of synthetic significance

Abstract

The 1,5-homolytic translocation reactions involving silyl, germyl and stannyl groups between two alkyl carbon atoms, between alkoxy oxygen atoms, and between alkyl and allylic carbon atoms were analyzed. The ab initio molecular orbital and density functional calculations were performed. The analysis showed that the reaction proceeds via concerted mechanisms involving frontside substitution at the higher heteroatom involved.