Dissecting reactions with the independent gradient model: the case of the stereoselective insertion of a Fischer-type carbene ligand into a Mn–C bond

Abstract

The Independent Gradient Model, applied to the dynamics of carbene ligand insertion into a C–Mn bond, reveals details of electron density redistribution events, challenging earlier assumptions. The unique stereoselectivity of the reaction is rationalised by the joint use of the new Steric-Exclusion Localisation Function.