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

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概要

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• 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-σ<SUB>1</SUB><SUP>*</SUP>, n-σ<SUB>2</SUB><SUP>*</SUP>, or σ-σ<SUB>1</SUB><SUP>*</SUP>, 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.

• 公益社団法人 日本化学会の論文

著者

• Yamabe Tokio

  Department Of Molecular Engineering Graduate School Of Engineering Kyoto University

• Fukui Kenichi

  Department Of Chemistry Graduate School Of Science The University Of Tokyo

• Sakai Hideki

  Department of Industrial Chemistry, Tokyo University of Science, 2641 Yamazaki, Noda, Chiba 278-8510, Japan

• Nagata Shinichi

  Department of Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University

• Kato Hiroshi

  College of General Education, Nagoya University

• Yamabe Tokio

  Department of Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University

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