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

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Benedix, R. ; Hennig, H. ; Kunkely, Horst ; Vogler, Arnd
Date of publication of this fulltext: 15 Mar 2010 06:31


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.

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