An MO Theoretical Investigations of the Electronic Spectra of Divalent Sulfur Compounds
- 1 January 1975
- journal article
- research article
- Published by Oxford University Press (OUP) in Bulletin of the Chemical Society of Japan
- Vol. 48 (1) , 33-36
- https://doi.org/10.1246/bcsj.48.33
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.Keywords
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