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Reactivity of a formal Cu(iii)-alkyl species toward aniline: a DFT investigation

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Abstract

Although formal Cu(III) species have been extensively proposed as key intermediates in a wide range of copper-catalyzed reactions, the precise reactivity of these species remains unexclusive. Commonly, a formal reductive elimination mechanism is proposed for the product formation step. In this work, through theoretical investigation of the reactivity between a formal Cu(III)-alkyl species and aniline, we demonstrated that a SN2-like mechanism could also be responsible for coupling product formation.

Graphical abstract: Reactivity of a formal Cu(iii)-alkyl species toward aniline: a DFT investigation

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Article information


Submitted
14 May 2020
Accepted
19 Jun 2020
First published
19 Jun 2020

Dalton Trans., 2020, Advance Article
Article type
Communication

Reactivity of a formal Cu(III)-alkyl species toward aniline: a DFT investigation

X. Xu, Dalton Trans., 2020, Advance Article , DOI: 10.1039/D0DT01744B

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