The fragment molecular orbital approach in organometallic reactivity. Reactions of the binuclear complexes

Abstract

The fragment molecular orbital approach has emerged as a framework model in theoretical organometallic chemistry. This provides an understanding of the electronic structure and bonding in polynuclear complexes in terms of their constituent fragments that are well understood. Symmetry properties of the frontier molecular orbitals of organometallic complexes help in explaining their reactivity towards various reagents.