Electronic Structure of Sandwich Cubane-Type Cluster with Molybdenum-Cadmium-Sulfur(Mo3S4CdS4Mo3) Core

Genta Sakane, Takashi Shibahara, Hirohiko Adachi

molecular orbital calculation, molybdenum, cadmium
The reaction of the sulfur-bridged incomplete cubane-type molybdenum cluster [Mo3S4(dtp)4(CH3CN)] (Hdtp = diethyldithiophosphate) and [Mo3S4(Hnta)3]2- (H3nta = nitrilotriacetic acid) with cadmium metal result in formation of novel sandwich cubane-type molybdenum-cadmium mixed-metal clusters [CH3CN)(dtp)4Mo3S4CdS4Mo3(dtp)4(CH3CN)](1) and [(Hnta)3Mo3S4CdS4Mo3(Hnta)3]4-(2), respectively.
Electronic structure of 2 has been calculated by the discrete-variational(DV)-Xα molecular orbital method.
Korea-Japan DV-Xα Joint Symposium('98), 11th DV-Xα Annual Meetings
Electronic Structure of Sandwich Cubane-Type Cluster with Molybdenum-Cadmium-Sulfur(Mo3S4CdS4Mo3) Core

Bulletin of the Society for Discrete Variational Xα

The Society for Discrete Variational Xα

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