A UV photoelectron spectroscopy and X<inf>α</inf> approach to the electronic structure of nickel dithiolenes

A series of maleonitriledithiolate complexes of nickel have been studied using UV photoelectron Spectroscopy (UVPES). The energies of the molecular orbitals of the anionic moiety were obtained from self-consistent field Xα calculations. The peaks in the UV photoelectron spectra were assigned based on changes in intensity as a function of the source energy. The assignment and energy level ordering of orbitals obtained from UVPES experiments and Xα calculations were in agreement with those reported earlier from electronic absorption studies. An important observation made in the case of the donor-acceptor complexes was that the amount of charge transfer from the planar cations to the anion could be qualitatively studied from the extent of stabilization of the valence levels. © 1990.