A molecular orbital study of the changing role ofd-orbitals in transition metal compounds: ZnS,FeS and CrS

SCF-MO studies as FeS, CrS and ZnS illustrate the changing role ofd-orbitals along a transition series, where they become at first good acceptors playing an important role in the bonding, then so stable that their electrons behave essentially as “core” electrons in agreement with the conjecture of Phillips and Williams [1].