We have achieved a nickel-catalyzed cross-coupling reaction via concerted paired electrolysis under mild reaction conditions. In this electrochemical transformation, the anodic oxidation of Ni II to Ni III and cathodic reduction of Ni I to Ni 0 occurred simultaneously, resulting in an economical and sustainable cross-coupling protocol. Moreover, we performed mechanistic investigations, achieved by experiments and density functional theory (DFT) calculations for different C–heteroatom bond formations to reveal the catalytic cycle in more detail.
Bibliographical noteKAUST Repository Item: Exported on 2020-10-01
Acknowledgements: C.Z. acknowledges King Abdullah University of Science and Technology (KAUST) for support and the KAUST Supercomputing Laboratory for providing computational resources of the supercomputer Shaheen II. This work was financially supported by the King Abdullah University of Science and Technology (KAUST), Saudi Arabia, Office of Sponsored Research (URF/1/3754).