Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 4235-4239 |
| Number of pages | 5 |
| Journal | Inorganic Chemistry |
| Volume | 61 |
| Issue number | 10 |
| DOIs | |
| State | Published - Mar 14 2022 |
| Externally published | Yes |
Funding
The synchrotron radiation experiments were performed at BL02B1 of SPring-8 with the approval of the Japan Synchrotron Radiation Research Institute (Proposal 2019A1069). This research was supported, in part, by PL-Grid Infrastructure (Grant plgrozpoznanie 5). This work was partly carried out at the Biological and Chemical Research Centre, University of Warsaw, established within the project cofinanced by the European Union from the European Regional Development Fund under the Operational Programme Innovative Economy, 2007–2013. The work was accomplished at the TEAM TECH Core Facility for crystallographic and biophysical research to support the development of medicinal products sponsored by the Foundation for Polish Science (Grant 115). S.P. thanks Dr. hab. Anna Makal, Dr. Marcin Stachowicz, Dr. Kunihisa Sugimoto, and Daniel Tchoń for their assistance and support at the SPring-8 synchrotron station. Support of this work by the National Science Centre, Poland, through PRELUDIUM Grant UMO-2018/31/N/ST4/02141 and the University’s Integrated Development Programme (ZIP), cofinanced by the European Social Fund within the framework of Operational Programme Knowledge Education Development 2016–2020, action 3.5, is gratefully acknowledged.