Optical ligand-to-ligand charge transfer of Zn(2,2'-bipyridyl)(3,4-toluenedithiolate)

Abstract

The electronic structure and the optical ligand-to-ligand charge transfer (LLCT) of the pseudotetrahedral complex Zn (2,2′-bipyridyl) (3,4-toluenedithiolate) is interpreted on the basis of EHT calculations. By comparison with square-planar complexes, it is shown that the extent of electron delocalization between donor and acceptor ligand and charge separation by LLCT excitation depends on the mutual orientation of both ligands.