8-キノリノールまたはその誘導体を配位子とするモリブデンクラスタ－錯体の電子状態

廣氏芳雄, 川崎秀樹, 坂根弦太, 柴原隆志

分子軌道計算, 8-キノリノール, 錯体
The sulfur-bridged incomplete cubane-type molybdenum aqua cluster [Mo3(μ3-S)(μ-S)3(H2O)9]4+(A) reacts with 8-quinolinol ( = oxine) or its derivatives to give novel clusters [Mo3(μ3-S)(μ-S)3(C9H5XNO)3(H2O)3]+ ( X = Me, H, Ph, I, Br, Cl, F, NO2)(B). Electronic structures 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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