8-ヒドロキシキノリンを配位子とするモリブデンクラスター錯体の電子状態

坂根弦太, 柴原隆志

分子軌道計算, 錯体
The sulfur bridged incomplete cubane-type molybdenum aqua cluster [Mo3(μ3-S)(μ-S)3(H2O)9]4+(A) reacts with 8-hydroxyquinoline ( = 8-quinolinol, oxine) to give a novel 8-hydroxyquinolinato cluster [Mo3(μ3-S)(μ-S)3(C9H6NO)3(H2O)3]+(B). Electronic structure of B have been calculated by the discrete-variational(DV)-Xα molecular orbital method.

Bulletin of the Society for Discrete Variational Xα

The Society for Discrete Variational Xα

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