An MO Theoretical Investigations of the Electronic Spectra of Divalent Sulfur Compounds

Abstract

Abstract The singlet transition energies and oscillator strengths of several divalent sulfur compounds are calculated by the semi-empirical ASMO–SCF method. It is shown that the UV absorption bands with transition energies of 5–6 eV observed in these sulfur compounds can be assigned to n-σ1*, n-σ2*, or σ-σ1*, implying that the 3d orbitals of the sulfur atom do not play an important role in these electronic transitions or may contribute absorption bands with higher transition energies.