Studies on the Electronic Spectra of the Semiquinones of Anthracene and Its Related Heterocycles. II

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概要

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• The electronic structures of semiquinones of anthracene and its related heterocycles were calculated, using the open shell SCF procedure combined with configuration interaction calculations. A general classification and some peculiarities of the observed absorption spectra of these semiquinones can be readily explained by the present theoretical results. The effects of resonance integral and configuration interactions were examined in detail. The results obtained by considering the effect of hyperconjugation were added.

• 公益社団法人 日本化学会の論文

著者

• MASUHARA Hiroshi

  Department of Allied Physics,Osaka University

• Koizumi Masao

  Department of Chemistry Faculty of Science Tohoku University

• Masuhara Hiroshi

  Department of Chemistry, Faculty of Science, Tohoku University

• Okuda Michio

  Department of Chemistry, Faculty of Science, Tohoku University

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