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An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies

Abstract : The synthesis, structure, and reactivity of an actinide metallacyclopropene were comprehensively studied. The reduction of [η5-1,2,4-(Me3C)3C5H2]2ThCl2 (1) with potassium graphite (KC8) in the presence of diphenylacetylene (PhC≡CPh) yields the first stable actinide metallacyclopropene [η5-1,2,4-(Me3C)3C5H2]2Th(η2-C2Ph2) (2). The magnetic susceptibility data show that 2 is indeed a diamagnetic Th(IV) complex, and density functional theory (DFT) studies suggest that the 5f orbitals contribute to the bonding of the metallacyclopropene Th—(η2-C═C) moiety. Complex 2 shows no reactivity toward alkynes, but it reacts with a variety of heterounsaturated molecules such as aldehyde, ketone, carbodiimide, nitrile, organic azide, and diazoalkane derivatives. DFT studies complement the experimental observations and provide additional insights. Furthermore, a comparison between Th and group 4 metals reveals that Th4+ shows unique reactivity patterns.
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https://hal.insa-toulouse.fr/hal-01969494
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Submitted on : Friday, January 4, 2019 - 11:04:01 AM
Last modification on : Tuesday, March 3, 2020 - 11:40:04 AM

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  • HAL Id : hal-01969494, version 1

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Bo Fang, Wenshan Ren, Guohua Hou, Guofu Zi, De-Cai Fang, et al.. An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies. Journal of the American Chemical Society, American Chemical Society, 2014, 136 (49), pp.17249-17261. ⟨hal-01969494⟩

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