| Autor: |
Isaac F. Leach, Diego Sorbelli, Leonardo Belpassi, Paola Belanzoni, Remco W. A. Havenith, Johannes E. M. N. Klein |
| Přispěvatelé: |
Molecular Inorganic Chemistry, Stratingh Institute of Chemistry, Molecular Energy Materials |
| Jazyk: |
angličtina |
| Rok vydání: |
2023 |
| Předmět: |
|
| Zdroj: |
Dalton Transactions, 52(1), 11-15. ROYAL SOC CHEMISTRY |
| ISSN: |
1477-9226 |
| Popis: |
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. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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