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

Abstract

The excited states of B₄Cl₄, B₆H₆^2–, B₉H₉^2–, B₁₀H₁₀^2–, B₁₂Hi₁₂^2–, and B₁₂Cl₁₂^2– 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 B₉H₉^2–. The remainder of the systems are calculated to possess no accessible states in the near-u.v. region.