Aurophilic Interactions Studied by Quantum Crystallography.
Journal
Inorganic chemistry
ISSN: 1520-510X
Titre abrégé: Inorg Chem
Pays: United States
ID NLM: 0366543
Informations de publication
Date de publication:
14 Mar 2022
14 Mar 2022
Historique:
pubmed:
2
3
2022
medline:
2
3
2022
entrez:
1
3
2022
Statut:
ppublish
Résumé
This is the first use of a wave-function-based crystallographic method to characterize aurophilic interactions from X-ray diffraction data. Theoretical calculations previously suggested the importance of electron correlation and dispersion forces, but no influence of relativistic corrections to the Au...Au interaction energy was found. In this study, we confirm the importance of relativistic corrections in the characterization of aurophilic interactions in addition to electron correlation and dispersion.
Identifiants
pubmed: 35230099
doi: 10.1021/acs.inorgchem.1c03333
pmc: PMC8924918
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
4235-4239Références
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