How reduced are nucleophilic gold complexes?
- Leach, Isaac F.
- Sorbelli, Diego
- Belpassi, Leonardo
- Belanzoni, Paola
- Havenith, Remco W.A.
- Klein, Johannes E. M. N.
DOIAbstract
Nucleophilic formal gold(-i) and gold(i) complexes are investigated via Intrinsic Bond Orbital analysis and Energy Decomposition Analysis, based on density functional theory calculations. The results indicate gold(0) centres engaging in electron-sharing bonding with Al- and B- based ligands. Multiconfigurational (CASSCF) calculations corroborate the findings, highlighting the gap between the electonic structures and the oxidation state formalism
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