title: Alkynyl ruthenium colorimetric sensors: optimizing the selectivity toward fluoride anion.
abstract: We report on the synthesis of alkynyl ruthenium colorimetric sensors whose receptors are constituted by thiazolidinedione, rhodanine, or barbituric heads as recognition centers for anions. As modifications in the charge density at these recognition centers affect the whole molecule, through the alkynyl ligand acting as a communicating wire, the effects of hydrogen-bonding interactions with the anions were observed with the naked eye and monitored by UV-vis absorption spectrometry. The selectivity of the sensors was improved through electronic modifications of the alkynyl ruthenium subunit: the higher the electron density at the receptor head, the higher the selectivity is. TD-DFT calculations rationalize the long-range electronic communication as a main characteristic of the alkynyl ruthenium species and as a key to improve the selectivity of alkynyl ruthenium-based sensors toward anions.
authors.affiliation: UMR 6226 CNRS - Université Rennes 1, Sciences chimiques de Rennes, Avenue du Général Leclerc, 35042 Rennes, France. jean-luc.fillaut@univ-rennes1.fr
authors.forename: Jean-Luc
authors.initials: JL
authors.lastname: Fillaut
authors.forename: Julien
authors.initials: J
authors.lastname: Andriès
authors.forename: Johann
authors.initials: J
authors.lastname: Perruchon
authors.forename: Jean-Pierre
authors.initials: JP
authors.lastname: Desvergne
authors.forename: Loïc
authors.initials: L
authors.lastname: Toupet
authors.forename: Lotfi
authors.initials: L
authors.lastname: Fadel
authors.forename: Bachir
authors.initials: B
authors.lastname: Zouchoune
authors.forename: Jean-Yves
authors.initials: JY
authors.lastname: Saillard
mesh_terms: D000838:Anions / Q000737:chemistry; D002621:Chemistry / Q000379:methods*; D003124:Colorimetry / Q000379:methods*; D003460:Crystallization; D005459:Fluorides / Q000737:chemistry*; D006860:Hydrogen Bonding; D007477:Ions; D008024:Ligands; D008752:Methylene Chloride / Q000737:chemistry; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D012428:Ruthenium / Q000737:chemistry*; D013056:Spectrophotometry, Ultraviolet / Q000379:methods*
chemical_list: D000838:Anions; D007477:Ions; D008024:Ligands; D008752:Methylene Chloride; D012428:Ruthenium; D005459:Fluorides