Computational Studies of Photodissociation, Photoinduced Isomerization, and Stereochemistry of Coordination Complexes

Aspects of the theoretical and computational investigation of inorganic spectroscopy and photochemistry are presented. We discuss the appearance of regions of strong non-adiabatic coupling such as Jahn-Teller couplings, pseudo- Jahn-Teller couplings, and conical intersections that are general features in the photodissociation, photostereochemistry, and photoisomerization reactions of coordination complexes. As well as reviewing important theoretical contributions to the field we discuss four case studies that highlight aspects of the computational modeling of inorganic photochemical reactions.