Electronic structures and spectra of a novel diquinone; 1,4:5,8-Anthracenediquinone.

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概要

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• Assignment of the electronic absorption spectrum of 1,4 : 5,8-anthracenediquinone (1,4 : 5,8-ADQ) has been carried out with the aid of magnetic circular dichroism and LCAO MO SCF CI calculations including all valence electrons. The lowest energy absorption region of 1,4 : 5,8-ADQ has been revealed to be composed of the n-π<SUP>*</SUP> transition or transitions. The higher energy absorption region has been concluded to consist of four π-π<SUP>*</SUP> transitions, which are regarded as L<SUB>b</SUB>, L<SUB>a</SUB>, B<SUB>a</SUB>, and B<SUB>b</SUB> in the Platt's notation for anthracene. The above assignment of 1,4 : 5,8-ADQ has been experimentally confirmed with its linear dichroism spectra in stretched polyethylene sheets and its circular dichroism spectra in the β-cyclodextrin solution. The relationship between the absorption spectra of 1,4 : 5,8-ADQ and 1,4-naphthoquinone has been discussed from the experimental and theoretical points of view.

• 公益社団法人 日本化学会の論文

著者

• Oda Masaji

  Department Of Chemistry Faculty Of Science Osaka University

• Hatano Masahiro

  Chemical Research Institure Of Non-aqueous Solutions Tohoku University

• Tajiri Akio

  Chemical Research Institute of Non-aqu\.{e}ous Solutions, Tohoku University

• Tajiri Akio

  Chemical Research Institute of Non-aqueous Solutions, Tohoku University

• Fukuda Masahiko

  Chemical Research Institute of Non-aqu\.{e}ous Solutions, Tohoku University

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