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Issue 57, 2018
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The influence of NHCs on C–Si and C–C reductive elimination: a computational study of the selectivity of Ni-catalyzed C–H activation of arenes with vinylsilanes

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Abstract

Density functional theory calculations were performed to investigate the mechanism and origins of the NHC-controlled selectivity of Ni-catalyzed C–H activation of arenes with vinylsilanes. The key to the selectivity is the different impacts of NHCs on the C–Si/C–C reductive elimination of the square-planar/T-shaped intermediate.

Graphical abstract: The influence of NHCs on C–Si and C–C reductive elimination: a computational study of the selectivity of Ni-catalyzed C–H activation of arenes with vinylsilanes

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Publication details

The article was received on 04 Jun 2018, accepted on 19 Jun 2018 and first published on 23 Jun 2018


Article type: Communication
DOI: 10.1039/C8CC04456B
Citation: Chem. Commun., 2018,54, 7912-7915
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    The influence of NHCs on C–Si and C–C reductive elimination: a computational study of the selectivity of Ni-catalyzed C–H activation of arenes with vinylsilanes

    X. Liu, Y. Tian, H. Cui and H. Fan, Chem. Commun., 2018, 54, 7912
    DOI: 10.1039/C8CC04456B

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