Edge-Sharing Binuclear d8 Complexes with XR Bridges: Theoretical and Structural Database Study of their Molecular Conformation

Abstract

Coplanar or bent? Binuclear complexes of d8 transition metal ions appear in a variety of molecular conformations in which the coordination planes around the two metal atoms can be coplanar or bent, and the substituents at the bridging atoms may adopt different orientations (see figure). Ab initio theoretical studies together with a structural database analysis provide a rationale for the experimentally observed structures.