Tetrachloromethane as halogen bond donor toward metal-bound halides
Author:
Zelenkov Lev E.1, Ivanov Daniil M.1, Avdontceva Margarita S.2, Novikov Alexander S.1, Bokach Nadezhda A.1
Affiliation:
1. Institute of Chemistry, Saint Petersburg State University, 7/9 Universitetskaya Nab. , Saint Petersburg 199034 , Russian Federation 2. Institute of Earth Sciences, Saint Petersburg State University, 7/9 Universitetskaya Nab. , Saint Petersburg 199034 , Russian Federation
Abstract
Abstract
Two annulated triazapentadiene systems, viz. 1,3,5,7,9-pentaazanona-1,3,6,8-tetraenate chloride complexes of PtII, 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.
Funder
Russian Foundation for Basic Research
Publisher
Walter de Gruyter GmbH
Subject
Inorganic Chemistry,Condensed Matter Physics,General Materials Science
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