An Ab Initio MO Study on Stabilizing Interactions in Dinuclear Zr/Al Complexes with a Planar Tetracoordinate Carbon Center

Abstract

Steric effects do not account for the stability of compounds like 1, which contain a planar four-coordinate carbon atom; rather the electronic interaction of the low-lying empty Zr 4d orbitals with a high-lying σ orbital of the distorted ethylene unit is the primary stabilizing effect. This is the result of calculations with a minimal basis set on model systems. X = H, Cl.