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

Abstract

New halogen bonded networks containing the organometallic complexes [Ru(CN^tBu)₄(X)₂] (X = Cl, Br, I) have been prepared. Two different types of halogen donors have been explored, I₂ and IC₆F₄I, 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 IC₆F₄I 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(CN^tBu)₄(I)₂] and IC₆F₄I. Furthermore, the studies show that the interaction for iodine has a higher covalent component than that for IC₆F₄I.