Calculation of the electronic structure of boranes by the self-consistent molecular orbital method. Part III. Excited states of cage species

Abstract

Listen

Translate article

The excited states of B4Cl4, B6H62–, B9H92–, B10H102–, B12Hi122–, and B12Cl122– are calculated by a theoretical technique which includes extensive configuration interaction. The results confirm original assignments for the electronic spectrum of B4Cl4 and agree well with that of B9H92–. The remainder of the systems are calculated to possess no accessible states in the near-u.v. region.