Bond Dissociation Energies of Carbonyl Gold Complexes: a New Descriptor of Ligand Effects in Gold(I) Complexes?

International audienceLigand electronic effects in gold(I) chemistry have been evaluated by means of the experimental determination of M-CO bond dissociation energies for 16 [L-Au-CO] + complexes, bearing L ligands widely used in gold catalysis. Energy-resolved analyzes have been achieved using tandem mass spectrometry with collision induced dissociation. Coupled to DFT calculations, this approach enables the quantification of ligand effects based on the LAu-CO bond strength. Further energy decomposition analysis gives access to detailed insights of this bond's properties. Whereas small differences are observed between phosphine-and phosphite-containing gold complexes, carbene ligands are shown to stabilize much more efficiently the gold-carbonyl bond