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Highly Reactive Scandium Phosphinoalkylidene Complex: C-H and H-H Bonds Activation

Abstract : The first scandium phosphinoalkylidene complex was synthesized and structurally characterized. The complex has the shortest Sc-C bond lengths reported to date (2.089(3)angstrom). DFT calculations reveal the presence of a three center pi interaction in the complex. This scandium phosphinoalkylidene complex undergoes intermolecular C-H bond activation of pyridine, 4-dimethylamino pyridine and 1,3-dimethylpyrazole at room temperature. Furthermore, the complex rapidly activates H-2 under mild conditions. DFT calculations also demonstrate that the C-H activation of 1,3-dimethylpyrazole is selective for thermodynamic reasons and the relatively slow reaction is due to the need of fully breaking the chelating effect of the phosphino group to undergo the reaction whereas this is not the case for H-2.
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https://hal.insa-toulouse.fr/hal-01961182
Contributor : Insa Toulouse Scd <>
Submitted on : Wednesday, December 19, 2018 - 5:17:01 PM
Last modification on : Tuesday, March 3, 2020 - 11:40:04 AM

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  • HAL Id : hal-01961182, version 1

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Weiqing Mao, Li Xiang, Carlos Alvarez Lamsfus, Laurent Maron, Xuebing Leng, et al.. Highly Reactive Scandium Phosphinoalkylidene Complex: C-H and H-H Bonds Activation. Journal of the American Chemical Society, American Chemical Society, 2017, 139 (3), pp.1081--1084. ⟨hal-01961182⟩

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