Attractive halogen···halogen interactions in crystal structure of trans-dibromogold(III) complex
-
Alexander G. Tskhovrebov
,
Alexander S. Novikov
Abstract
A synthesis of the trans-dibromogold(III) t-Bu-Xantphos complex and its self-assembly into infinite 1-dimensional chain in the solid state is reported. The new complex characterized using elemental analyses (C, H, N), ESI-MS, 1H and 13C NMR techniques and X-ray diffraction analysis. Results of DFT calculations followed by the topological analysis of the electron density distribution within the framework of QTAIM method at the ωB97XD/DZP-DKH level of theory reveal that strength of attractive intermolecular non-covalent interactions Br···Br in the crystal is 1.2–1.6 kcal/mol.
Funding source: Ministry of Science and Higher Education of the Russian Federation
Award Identifier / Grant number: 075-03-2020-223 (FSSF-2020-0017)
Funding source: RSF
Award Identifier / Grant number: 19-73-00001
Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
Research funding: This work was supported by RFBR and BRFBR, project number 20-53-00006. ASN is grateful to RSF for the support of his theoretical studies (project No. 19-73-00001). We acknowledge the RUDN University Program 5-100. Funding for this research was provided by Ministry of Science and Higher Education of the Russian Federation (award no. 075-03-2020-223 [FSSF-2020-0017]).
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
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Supplementary Material
The online version of this article offers supplementary material (https://doi.org/10.1515/zkri-2020-0045).
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Articles in the same Issue
- Frontmatter
- Graphical Synopsis
- Miscellaneous
- Wolfgang Jeitschko, 27.05.1936--05.08.2020
- Original papers
- Superstructure formation in Sc5Cu2In4
- Cd2 and Co2 dumbbell formation in the yttrium-rich intermetallic compounds Y14Ni3Cd3 and Y6Co2Zn
- Crystal structure of the synthetic analogue of iwateite, Na2BaMn(PO4)2: an X-ray powder diffraction and Raman study
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- Attractive halogen···halogen interactions in crystal structure of trans-dibromogold(III) complex
