Elucidation of Shimura's reduction parameter for the first ligand field band components of cobalt(III) and chromium(III) mixed ligand complexes.
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Elucidation was made for Shimura's recently proposed reduction parameter, which enables us to improve the prediction of the first absorption band components from Yamatera's rule, in terms of the angular overlap model(AOM) parameterization for cobalt(III) and chromium(III) mixed ligand complexes. From the configuration interaction between the degenerate components and in view of the empirical relation for the <I>e</I><SUB>σa</SUB> and <I>e</I><SUB>σb</SUB> AOM parameters as revealed recently in the nondegenerate component of <I>trans</I>-[Cra<SUB>4</SUB>b<SUB>2</SUB>] type complexes, Shimura's empirical reduction parameter α was elucidated semiquantitatively in relation with the difference between the <I>e</I><SUB>σ</SUB> parameter values for the a and b ligands, <I>Δ</I>′<SUB>σb</SUB>=3(<I>e</I><SUB>σb</SUB>−<I>e</I><SUB>σa</SUB>); the larger the <I>Δ</I>′<SUB>σb</SUB> the smaller the reduction parameter α, and vice versa.
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