Energy of Excimer Luminescence. III. Group Theoretical Considerations of Molecular Exciton and Charge Resonance States

Abstract

The excimer formed by two identical molecules of D2h or D6h point groups is discussed group theoretically. The manner in which excimer geometry influences configuration interactions between molecular exciton states and charge-resonance states, and the conditions necessary to resonance stabilization of the ground state are delineated. The polarizations of the transitions between the ground state and the various excited excimer states and of that between two excimer excited states are discussed. Some computational results for the D6h benzene excimer are presented.