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Halogen bonding (HaB) in E-I⋯X-M systems: Influence of the halogen donor on the HaB nature

AuthorsDortéz, S.; Fernández-Palacio, F.; Damián, J.; Gaiteiro, C.; Ramos, Javier CSIC ORCID ; Gómez-Sal, Pilar; Mosquera, M.E.G.
Issue Date19-Nov-2019
PublisherRoyal Society of Chemistry (UK)
CitationCrystEngComm 22: 870-877 (2020)
AbstractNew halogen bonded networks containing the organometallic complexes [Ru(CNBu)(X)] (X = Cl, Br, I) have been prepared. Two different types of halogen donors have been explored, I and ICFI, to study the influence of the halogen bond donor on the parameters and the nature of the interaction. We have performed a combined experimental and theoretical study. In the results, the species with ICFI as a halogen bond donor show weaker interactions, as evidenced by the geometrical parameters and by the DFT calculations. In fact, it was not possible to isolate the HaB network containing the complex [Ru(CNBu)(I)] and ICFI. Furthermore, the studies show that the interaction for iodine has a higher covalent component than that for ICFI.
Description8 pags., 3 figs., 5 tabs. -- This article is part of the themed collections: Supramolecular & Polymorphism and 1st International Conference on Noncovalent Interactions
Publisher version (URL)http://dx.doi.org/10.1039/c9ce01449g
Identifiersdoi: 10.1039/c9ce01449g
issn: 1466-8033
Appears in Collections:(CFMAC-IEM) Artículos
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