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A "gold standard" computational proof for the existence of gold(III) aurophilicity.
- Source :
-
Dalton Transactions: An International Journal of Inorganic Chemistry . 2/28/2023, Vol. 52 Issue 8, p2219-2222. 4p. - Publication Year :
- 2023
-
Abstract
- The existence of aurophilic gold(III)⋯gold(III) interactions has for a long time been neglected due to structural arguments and comparison with the aurophilicity of gold(I) compounds. We show with calculations at the CCSD(T) level of theory that the [AuIII(CH3)3(NH3)]2 dimer has a metallophilic dispersion interaction between the gold(III) atoms of 10.5 kJ mol−1. The aurophilic interaction is illustrated by topological QTAIM calculations and IRI analysis. [ABSTRACT FROM AUTHOR]
- Subjects :
- *GOLD
*ATOMS in molecules theory
*ATOMS
*DISPERSION (Chemistry)
*ARGUMENT
Subjects
Details
- Language :
- English
- ISSN :
- 14779226
- Volume :
- 52
- Issue :
- 8
- Database :
- Academic Search Index
- Journal :
- Dalton Transactions: An International Journal of Inorganic Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 162011764
- Full Text :
- https://doi.org/10.1039/d2dt03731a