8-キノリノールを配位子とする酸素架橋モリブデン三核錯体の電子状態

坂根弦太, 川崎秀樹, 柴原隆志

分子軌道計算, モリブデンアクアクラスタ－錯体
The oxygen-bridged incomplete cubane-type molybdenum aqua cluster [Mo3(μ3-O)(μ-O)3(H2O)9]4+ reacts with 8-quinolinol ( = oxine, 8-hydroxyquinoline) to give a novel cluster [Mo3(μ3-O)(μ-O)3(C9H6NO)3(H2O)3]+(5). Electronic structure of 5 has 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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