(Diphosphine)Nickel-Catalyzed Negishi Cross-Coupling: An Experimental and Theoretical Study

The use of a strongly donating (bis-dialkylphosphine)Ni fragment promotes the catalytic coupling of a large range of ArCl and ArZnCl derivatives under mild conditions. Stoichiometric mechanistic investigations and DFT calculations prove that a Ni-0/Ni-II cycle is operative in this system.