Initial Radical Cation Pathway in the Mo₂Cl₁₀‐Mediated Dehydrogenative Arene Coupling

Abstract

Experimental (EPR) and theoretical (DFT) evidence is provided for radical cation formation as initial step in the Mo2Cl10-mediated dehydrogenative arene coupling. The initial electron transfer from methoxyarenes to molybdenum proceeds via an inner sphere mechanism.