Diffusion and Overhauser NMR Studies on Dicationic Palladium Complexes of BINAP

Abstract

PGSE diffusion, 1H,19F Overhauser, and related 2-D NMR studies on several salts of the dications [Pd(H2O)2(BINAP)]2+, [Pd(μ-OH)(BINAP)]22+, and [Pd2(μ-OH)(μ-NH(p-RC6H4))(BINAP)2], R = Cl, CH3, MeO, and, in one case, [Pd(μ-O2PF2)(BINAP)]2(PF6)2, are reported. These solution NMR results, together with DFT calculations, reflect on how the anion interacts with the cation, as well as the extent, and the solvent dependence of the ion pairing. The solid-state structure of [Pd2(μ-OH)(μ-{NH(p-Tol)})(BINAP)2](CF3SO3)2 has been determined.