I. Silaghidumitrescu et al., CHELATING VERSUS BRIDGING COORDINATION OF DITHIOPHOSPHATES IN COPPER-COMPLEXES - AN EHMO STUDY, Revue Roumaine de Chimie, 39(12), 1994, pp. 1397-1405
Arguments in favour of the stabilization of Cu(II) dithiophosphates by
intermolecular associations through LUMO (b) and high Energy occupied
molecular orbitals of CuS4 core (d, e) or donor solvents are offered
by Extended Huckel calculations. It is also shown that L(2)Cu(I) fragm
ents tend to coordinate a chelating dithiophosphate if L has soft dono
r atoms, and dimers or oligomers are foormed if L coordinates through
hard donors.