An actinide metallacyclopropene complex: synthesis, structure, reactivity, and computational studies.
作者： Bo Fang , Wenshan Ren , Guohua Hou , Guofu Zi , De-Cai Fang
DOI: 10.1021/JA509770T
关键词:
摘要: The synthesis, structure, and reactivity of an actinide metallacyclopropene were comprehensively studied. reduction [η5-1,2,4-(Me3C)3C5H2]2ThCl2 (1) with potassium graphite (KC8) in the presence diphenylacetylene (PhC≡CPh) yields first stable [η5-1,2,4-(Me3C)3C5H2]2Th(η2-C2Ph2) (2). magnetic susceptibility data show that 2 is indeed a diamagnetic Th(IV) complex, density functional theory (DFT) studies suggest 5f orbitals contribute to bonding Th—(η2-C═C) moiety. Complex shows no toward alkynes, but it reacts variety heterounsaturated molecules such as aldehyde, ketone, carbodiimide, nitrile, organic azide, diazoalkane derivatives. DFT complement experimental observations provide additional insights. Furthermore, comparison between Th group 4 metals reveals Th4+ unique patterns.
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