Halogen Bonding Interactions of sym-Triiodotrifluorobenzene with Halide Anions: A Combined Structural and Theoretical Study

Abstract

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Coordination chemistry of anions through halogen-bonding interactions

“…Earlier reports (Metrangolo et al, 2008b) have indeed shown that 'the mutual induced fitting process elicits the tridentate coordination profile of both 1,3,5-trifluoro-2,4,6-triiodobenzene (1) (Metrangolo et al, 2008b;Triguero et al, 2008), the (6,3) networks were maintained but strongly corrugated. In a search for larger pores, the extended halogen-bond donor (2) was recently designed (Lieffrig et al, 2013) and further used here with another set of cations of varying size and shape (Szell et al, 2017).…”

Behavior of Halogen Bonds of the Y−X⋅⋅⋅π Type (X, Y=F, Cl, Br, I) in the Benzene π System, Elucidated by Using a Quantum Theory of Atoms in Molecules Dual‐Functional Analysis

“…Scheme also illustrates π‐XBs in the partial structures of (‐Cl−Cl⋅⋅⋅π(C 6 H 6 )‐) n and (‐Br−Br⋅⋅⋅π(C 6 H 6 )‐) n . Investigations of the π‐XB interactions have been performed for both experimental and theoretical backgrounds . However, it is necessary to clarify the nature of π‐XBs further to better understand the chemical processes controlled by these interactions.…”

Bifurcated chalcogen bonds: A theoretical study on the structure, strength and bonding properties

“…They are mainly responsible for the stability of a large number of important biological macromolecules such as DNA and proteins [1]. A halogen bond [2][3][4][5][6] is defined as a relatively strong noncovalent interaction between a halogen donor RX (X=Cl, Br and I) and a negative site on a halogen acceptor B and can be depicted as RX···B. The halogen acceptor B is usually an atom, such as oxygen and nitrogen that has a lone-pair electrons, but could also be a molecule containing double bonds or even a radical.…”