title: Investigating the imidazolium–anion interaction through the anion-templated construction of interpenetrated and interlocked assemblies.
abstract: The interaction between imidazolium cations and coordinating anions is investigated through the anion-templated assembly of interpenetrated and interlocked structures. The orientation of the imidazolium motif with respect to anion binding, and hence the hydrogen bond donor arrangement, was varied in acyclic receptors, interpenetrated assemblies, and the first mono-imidazolium interlocked systems. Their anion recognition properties and co-conformations were studied by solution-phase 1H NMR investigations, solid-state structures, molecular dynamics simulations, and density functional theory calculations. Our findings suggest that the imidazolium-anion binding interaction is dominated by electrostatics with hydrogen-bonding contributions having weak orientational dependence.
authors.affiliation: Chemistry Research Laboratory, Department of Chemistry, University of Oxford, Mansfield Road, Oxford, OX1 3TA, UK.
authors.forename: Graeme T
authors.initials: GT
authors.lastname: Spence
authors.forename: Christopher J
authors.initials: CJ
authors.lastname: Serpell
authors.forename: João
authors.initials: J
authors.lastname: Sardinha
authors.forename: Paulo J
authors.initials: PJ
authors.lastname: Costa
authors.forename: Vítor
authors.initials: V
authors.lastname: Félix
authors.forename: Paul D
authors.initials: PD
authors.lastname: Beer
mesh_terms: D000838:Anions; D018360:Crystallography, X-Ray; D007093:Imidazoles / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure; D043862:Rotaxanes / Q000737:chemistry
chemical_list: D000838:Anions; D007093:Imidazoles; D043862:Rotaxanes