Valence Bond Sum (VBS) Analysis on Bis(dithiocarbamato) Nickel (II) and Complexes with NiS4 Chromophore

摘要

The use of valence bond parameter (R_(ij)) values determined from homoleptic extended solids in the calculations of VBS for divalent zinc, cadmium and mercury metallo-organic compounds resulted in excellent agreement with the formal oxidation state of the metal. But for compounds which involve transition metal ions the calculated oxidation states always are far higher than their formal oxidation states. In this paper, the use of new valence bond parameter, {R.(T)}, for a series of parent bisdithiocarbamates of nickel(II) improved the VBS value tremendously and the formal oxidation state of nickel is observed to be close to 2.0