Ligand exchange reactions in Cu(iii) complexes: mechanistic insights by combined NMR and DFT studies

Abstract

NMR studies of ¹³C/¹²C isotopic patterns in Cu(III) intermediates and reaction products together with DFT calculations of possible reaction pathways indicate an intermolecular S_N2 like substitution mechanism for ligand exchange reactions in square planar Cu(III) complexes, which is proposed to be slow compared to reductive elimination at synthetic conditions.