Fluxional motion in a dinuclear copper(i) complex with a propeller-type ligand: metal hopping on both sides

Abstract

The first study of fluxional motion in [Cu₂(2-HPB)(MeCN)₂Cl₂] (1,2-HPB = hexa(2-pyridyl)benzene) is presented. For detailed examination of the fluxional motion mechanism, a monofluorinated derivative of the ligand (MFHPB) and its copper(I) complexes were synthesized and characterized. The solution NMR studies of monofluoro copper(I) complex 1a suggest the existence of five species in equilibrium. NMR spectra and DFT calculations suggest the fluxional motion of 1 resulting in the “metal hopping process” of two copper(I) ions.