硫黄／酸素架橋を持つモリブデンクラスタ－錯体の振動子強度計算

小橋裕之, 坂根弦太, 柴原隆志, 石川英明, 足立裕彦

分子軌道計算, 振動子強度
The Oscillator strength of the following clusters in UV-Vis region: [Mo3(μ3-S)(μ-S)3(H2O)9]4+(A), [Mo3(μ3-O)(μ-O)3(H2O)9]4+(B), [Mo3(μ3-S)(μ-O)(μ-S)2(H2O)9]4+, [Mo3(μ3-S)(μ-O)(μ3-S2C2H2)(H2O)9]4+, [Mo3Fe(μ3-S)4(H2O)10]4+, [Mo3Ni(μ3-S)4(H2O)10]4+,[W3(μ3-S)(μ-S)3(H2O)9]4+, [W3Ni(μ3-S)4(H2O)10]4+(A), have been calculated by the program PAS.
The agreement between the calculated and found values is good in visible region.

Bulletin of the Society for Discrete Variational Xα(DV-Xα研究協会会報)

The Society for Discrete Variational Xα(DV-Xα研究協会)

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