Theoretical prediction of cotton signs in CD spectra of .LAMBDA.-(Co(N)2(O)4)-- and .LAMBDA.-(Co(N)4(O)2)+-type complexes.

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概要

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• The crystal field model of d-d optical activity has been applied to complexes with <I>cis</I>(<I>N</I>)-[Co(N)<SUB>2</SUB>(O)<SUB>4</SUB>]<SUP>−</SUP> and <I>cis</I>(<I>O</I>)-[Co(N)<SUB>4</SUB>(O)<SUB>2</SUB>]<SUP>+</SUP> chromophores, and the Cotton signs of these complexes have been predicted. The model has shown that the Cotton signs in CD spectra of the complexes depend upon: 1) the energy difference between E<SUB>g</SUB><SUP>a</SUP> and A<SUB>2g</SUB> states, 2) the coordination angle in a bidentate chelate, and 3) the effective charge of the ligating atoms. The CD spectral difference between an optically active carbonato complex and the corresponding diaqua complex derived from the carbonato complex has been understood in terms of the effective charge of the ligating O atoms.

• 公益社団法人 日本化学会の論文

著者

• Fujinami Shuhei

  Department Of Chemical Science Graduate School Of Natural Science And Technology Kanazawa University

• Shibata Muraji

  Department of Chemistry Faculty of Science Kanazawa University

• Tsuji Kenshi

  Department of Chemistry, Faculty of Science, Kanazawa University

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