Synthesis, Structural, and Electron Topographical Analyses of a Dialkylbiaryl Phosphine/Arene-Ligated Palladium(I) Dimer: Enhanced Reactivity in Suzuki−Miyaura Coupling Reactions

The treatment of bis(2-(dicyclohexylphosphino)-2‘,6‘-dimethoxybiphenyl)PdCl2 with AgBF4 produces an air-stable phosphine/arene-ligated Pd(I) dimer with two seemingly identical Pd−arene interactions by X-ray crystallography. However, NMR and theoretical electron topographical analyses of this complex distinguish between these two interactions. One interaction is classified as an arenium-like complex, while the other is classified as a π-interaction. Additionally, this complex is a suitable precatalyst for high yielding Suzuki−Miyaura coupling reactions in short reaction times.