Bunchuay, ThanthapatraDocker, AndrewWhite, NicholasBeer, Paul D.2024-03-180277-5387http://hdl.handle.net/1885/316049The synthesis of a series of halogen bonding (XB) acyclic anion receptors based on a novel 1,2-iodo-triazolium-triazole benzene motif is reported. A combination of one- and two-dimensional 1H and 19F NMR spectroscopic techniques elucidate key conformational effects associated with the incorporation of ortho-substituted iodo-triazole based XB donors. 1H NMR anion titration experiments highlight the anion recognition potency of a mono-cationic XB iodo-triazolium-triazole benzene receptor, remarkably forming stronger halide complexes in comparison to a dicationic hydrogen bonding (HB) bis-proto-triazolium receptor analogue. X-ray crystal structure analysis provide insights into halide binding induced conformational changes and coordination modes, revealing the unique electronic and steric consequences associated with multidentate XB donor arrays.A. D. thanks the EPSRC for a studentship (Grant reference number EP/N509711/1).application/pdfen-AU© 2021 Elsevier Ltd.Halogen BondingAnion RecognitionSigma-Hole InteractionsSupramolecularHost-Guest ChemistryA new halogen bonding 1,2-iodo-triazolium-triazole benzene motif for anion recognition202110.1016/j.poly.2021.1154822022-11-13