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

NMR studies of (13)C/(12)C isotopic patterns in Cu(III) intermediates and reaction products together with DFT calculations of possible reaction pathways indicate an intermolecular S(N)2 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.