1. Bond dissociation energies of carbonyl gold complexes: a new descriptor of ligand effects in gold(i) complexes?
- Author
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Gatineau, David, Lesage, Denis, Clavier, Hervé, Dossmann, Héloïse, Chan, Chen H., Milet, Anne, Memboeuf, Antony, Cole, Richard B., and Gimbert, Yves
- Subjects
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DISSOCIATION (Chemistry) , *CHEMICAL bonds , *CARBONYL compounds , *GOLD compounds , *LIGANDS (Chemistry) , *METAL complexes - Abstract
Ligand 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 analyses have been made using tandem mass spectrometry with collision-induced dissociation. Coupled with DFT calculations, this approach enables the quantification of ligand effects based on the LAu–CO bond strength. A further energy decomposition analysis gives access to detailed insights into this bond's characteristics. Whereas small differences are observed between phosphine- and phosphite-containing gold complexes, carbene ligands are shown to stabilize the gold-carbonyl bond much more efficiently. [ABSTRACT FROM AUTHOR]
- Published
- 2018
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