Application of photoelectron spectroscopy to molecular properties. Part 19. Electronic structure of tris(α-di-imino) complexes of ruthenium(0)

Abstract

A study of the electronic structure of the formally 20-electron complex tris[1,2-bis(p-methoxyphenylimino)-ethane]ruthenium(0) is described using multiple scattering MSXα calculations coupled with He(I) photoelectron as well as visible and u.v. spectroscopy. This study shows a very low energy gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital of the complex; both are localized on the ligand, which explains its magnetic behaviour.