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The rotaxane features a halogen\u2010bonding axle component, which is stoppered with water\u2010solubilizing permethylated \u03b2\u2010cyclodextrin motifs, and a luminescent tris(bipyridine)ruthenium(II)\u2010based macrocycle component. <jats:sup>1<\/jats:sup>H\u2005NMR anion\u2010binding titrations in D<jats:sub>2<\/jats:sub>O reveal the halogen\u2010bonding rotaxane to bind iodide with high affinity and with selectively over the smaller halide anions and sulfate. The binding affinity trend was explained through molecular dynamics simulations and free\u2010energy calculations. Photo\u2010physical investigations demonstrate the ability of the interlocked halogen\u2010bonding host to sense iodide in water, through enhancement of the macrocycle component\u2019s Ru<jats:sup>II<\/jats:sup> metal\u2013ligand charge transfer (MLCT) emission.<\/jats:p>","DOI":"10.1002\/chem.201504018","type":"journal-article","created":{"date-parts":[[2015,12,2]],"date-time":"2015-12-02T08:27:28Z","timestamp":1449044848000},"page":"185-192","source":"Crossref","is-referenced-by-count":81,"title":["Iodide Recognition and Sensing in Water by a Halogen\u2010Bonding Ruthenium(II)\u2010Based Rotaxane"],"prefix":"10.1002","volume":"22","author":[{"given":"Matthew J.","family":"Langton","sequence":"first","affiliation":[]},{"given":"Igor","family":"Marques","sequence":"additional","affiliation":[]},{"given":"Sean W.","family":"Robinson","sequence":"additional","affiliation":[]},{"given":"V\u00edtor","family":"F\u00e9lix","sequence":"additional","affiliation":[]},{"given":"Paul D.","family":"Beer","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2015,12,2]]},"reference":[{"key":"e_1_2_5_1_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201309937"},{"key":"e_1_2_5_1_3","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201309937"},{"key":"e_1_2_5_2_2","unstructured":"\u00a0"},{"key":"e_1_2_5_3_2","doi-asserted-by":"publisher","DOI":"10.1039\/b926166b"},{"key":"e_1_2_5_4_2","unstructured":"M.\u2005J. 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