A new halogen bonding 1, 2-iodo-triazolium-triazole benzene motif for anion recognition. (15th November 2021)

• Record Type: Journal Article
• Authors: Bunchuay, Thanthapatra; Docker, Andrew; White, Nicholas G.; Beer, Paul D.
• Is Part Of: Polyhedron. Volume 209(2021)
• Publication Date: 2021-11-15
• Subjects: Halogen Bonding -- Anion Recognition -- Sigma-Hole Interactions -- Supramolecular -- Host-Guest Chemistry; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2021.115482
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: A series of halogen bonding (XB) acyclic anion receptors based on a novel 1, 2-iodo-triazolium-triazole benzene motif is reported. The halide anion recognition properties of this new XB donor array are investigated by a suite of techniques including; one- and two-dimensional 1 H and 19 F NMR spectroscopy and X-ray crystal structure analysis. Abstract: The 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 1 H and 19 F NMR spectroscopic techniques elucidate key conformational effects associated with the incorporation of ortho -substituted iodo-triazole based XB donors. 1 H 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.