Pawlȩdzio, Sylwia; Malinska, Maura; Kleemiss, Florian; Grabowsky, Simon; Woźniak, Krzysztof (2022). Aurophilic Interactions Studied by Quantum Crystallography. Inorganic chemistry, 61(10), pp. 4235-4239. American Chemical Society 10.1021/acs.inorgchem.1c03333
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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.
Item Type: |
Journal Article (Original Article) |
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Division/Institute: |
08 Faculty of Science > Department of Chemistry, Biochemistry and Pharmaceutical Sciences (DCBP) |
UniBE Contributor: |
Kleemiss, Florian, Grabowsky, Simon |
Subjects: |
500 Science > 570 Life sciences; biology 500 Science > 540 Chemistry |
ISSN: |
0020-1669 |
Publisher: |
American Chemical Society |
Language: |
English |
Submitter: |
Pubmed Import |
Date Deposited: |
03 Mar 2022 11:48 |
Last Modified: |
05 Dec 2022 16:12 |
Publisher DOI: |
10.1021/acs.inorgchem.1c03333 |
PubMed ID: |
35230099 |
BORIS DOI: |
10.48350/166328 |
URI: |
https://boris.unibe.ch/id/eprint/166328 |
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