Pawlȩdzio, Sylwia 
; Malinska, Maura ; Kleemiss, Florian ; Grabowsky, Simon ; Woźniak, Krzysztof
Alternative Links zum Volltext:DOIVerlag
| Dokumentenart: | Artikel |
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| Titel eines Journals oder einer Zeitschrift: | Inorganic Chemistry |
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| Verlag: | AMER CHEMICAL SOC |
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| Ort der Veröffentlichung: | WASHINGTON |
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| Band: | 61 |
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| Nummer des Zeitschriftenheftes oder des Kapitels: | 10 |
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| Seitenbereich: | S. 4235-4239 |
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| Datum: | 2022 |
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| Institutionen: | Chemie und Pharmazie > Zentrale Analytik |
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| Identifikationsnummer: | | Wert | Typ |
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| 10.1021/acs.inorgchem.1c03333 | DOI |
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| Stichwörter / Keywords: | NONCOVALENT INTERACTIONS; ELECTRON-DENSITY; GOLD CHEMISTRY; CONFORMATION; ATTRACTION; COMPLEX; AU |
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| Dewey-Dezimal-Klassifikation: | 500 Naturwissenschaften und Mathematik > 540 Chemie |
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| Status: | Veröffentlicht |
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| Begutachtet: | Ja, diese Version wurde begutachtet |
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| An der Universität Regensburg entstanden: | Ja |
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| Dokumenten-ID: | 57337 |
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Web of Science
Zusammenfassung
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 center dot center dot center dot Au interaction energy was found. In this study, we confirm the ...
Zusammenfassung
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 center dot center dot center dot 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.
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