The crucial roles of MgCl2 as a non-innocent additive in the Ni-catalyzed carboxylation of benzyl halide with CO2

Abstract

Ni-catalyzed carboxylation of the C(sp³)–Cl bond with CO₂ in the presence of MgCl₂ was theoretically investigated. MgCl₂ plays three crucial roles in stabilization of a Ni^I–CO₂ adduct and acceleration of the CO₂ insertion as a non-innocent additive and the one-electron reduction process as one kind of reagent.