Cationic all-halogen bonding rotaxanes for halide anion recognition

A family of cationic halogen bonding [2]rotaxanes have been synthesised via an active-metal template synthetic strategy. ¹H NMR spectroscopic anion titration investigations reveal these interlocked host systems recognize halides selectively over oxoanions in aqueous–organic solvent media. Furthermore, systematically modulating the rigidity and size of the rotaxanes’ anion binding cavities via metal complexation, as well as by varying the number of halogen bond-donor groups in the axle component, was found to dramatically influence halide anion selectivity.