Oxidative Addition of Aryl Halides to a Triphosphine Ni(0) Center to Form Pentacoordinate Ni(II) Aryl Species

Organometallics. 2020 Apr 27;39(8):1139-1144. doi: 10.1021/acs.organomet.0c00060. Epub 2020 Apr 3.

Abstract

Oxidative addition of aryl halides to Ni(0) is a ubiquitous elementary step in cross-coupling and related reactions, usually producing a square-planar Ni(II)-aryl intermediate. Here we show that a triphosphine ligand supports oxidative addition at a tris-ligated Ni(0) center to cleanly form stable five-coordinate Ni(II)-aryl compounds. Kinetic and computational studies support a concerted, two-electron mechanism rather than radical halogen abstraction. These results support the idea that oxidative addition to triphosphine Ni(0) species may be more generally involved in Ni/phosphine catalytic systems.