NDLI: Tetrachloromethane as halogen bond donor toward metal-bound halides

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Tetrachloromethane as halogen bond donor toward metal-bound halides

Content Provider	Scilit
Author	Zelenkov, Lev E. Ivanov, Daniil M. Avdontceva, Margarita S. Novikov, Alexander S. Bokach, Nadezhda A.
Copyright Year	2018
Abstract	Two annulated triazapentadiene systems, viz. 1,3,5,7,9-pentaazanona-1,3,6,8-tetraenate chloride complexes of Pt^II, form CCl₄ solvates, containing the Cl₃C–Cl···Cl–Pt halogen bonds. These halogen bonds are firstly reported type of Cl₃C–Cl···Cl–M contacts. In the X-ray structures of two solvates different non-covalent interactions were detected and studied by DFT calculations and topological analysis of the electron density distribution within the framework of QTAIM method at the M06/DZP-DKH level of theory. Estimated energies of these supramolecular contacts vary from 0.6 to 2.4 kcal/mol.
Related Links	http://www.degruyter.com/downloadpdf/j/zkri.ahead-of-print/zkri-2018-2111/zkri-2018-2111.xml
ISSN	21944946
e-ISSN	21967105
DOI	10.1515/zkri-2018-2111
Journal	Zeitschrift für Kristallographie - Crystalline Materials
Issue Number	1
Volume Number	234
Language	English
Publisher	Walter de Gruyter GmbH
Publisher Date	2019-01-28
Access Restriction	Open
Subject Keyword	Zeitschrift Für Kristallographie - Crystalline Materials Spectroscopy Dft Halogen Bonding Platinum(ii) Complexes Qtaim Tetrachloromethane Journal: Zeitschrift für Kristallographie - Crystalline Materials, Issue- 1-2
Content Type	Text
Resource Type	Article
Subject	Condensed Matter Physics Materials Science Inorganic Chemistry

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