Dinuclear Pd(i) complexes—solely precatalysts? Demonstration of direct reactivity of a Pd(i) dimer with an aryl iodide

Abstract

This report provides experimental, computational and spectroscopic data in support of the direct reactivity of a Pd(I) dimer with an aryl iodide, resulting in Br/I halogen exchange between the complex and the aryl iodide. The reactivity could not be achieved through analogous Pd(0) conditions, demonstrating the distinct reactivities at such multiple Pd-sites. Computational studies support that the direct oxidative addition to ArI by the dinuclear metal complex is energetically feasible.