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Synthesis,X-ray structure,spectroscopic properties,and theoretical investigations of dinuclear imidazole molybdenum(VI) complex with long MoO bands
Authors:Yan-Wen Lin  Yi-Ping Tong  Chi Yang  Yan-Ru Lin
Affiliation:1. Department of Biology, Hanshan Normal University, Chaozhou 521041, People’s Republic of China;2. Institute of Inorganic Chemistry, Hanshan Normal University, East Bridge Street, Chaozhou 521041, People’s Republic of China;3. Department of Chemistry, Hanshan Normal University, Chaozhou 521041, People’s Republic of China
Abstract:One new dinuclear multioxomolybdenum(VI) complex containing long Modouble bondO bands with imidazole, Mo2O6(imi)4] (1) (imi = imidazole), has been prepared and characterized, and the geometric structure, electronic structure and spectroscopic properties, investigated experimentally and theoretically. The rarely observed long Modouble bondO bonds in 1 (ca. 0.15 Å longer than documents previously) are analysed by orbital structure analysis. The electronic origins of the optical transitions are also mainly related to the Modouble bondO groups with ligand-to-metal charge transfer (LMCT) nature (Pterminal-oxo  dMo).
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