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

8 pags., 3 figs., 5 tabs. -- This article is part of the themed collections: Supramolecular & Polymorphism and 1st International Conference on Noncovalent InteractionsNew 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.Financial support from the Spanish Government (MINECO CTQ2014-58270-R and Factoría de Cristalización-ConsoliderIngenio (CSD2006-00015)) and Alcalá University, Spain (CCG2018/EXP-038) is gratefully acknowledged. J. R. acknowledges the financial support through the CSIC (Spain) – Project PIE201860E136