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Article

Alkynyl Ruthenium Colorimetric Sensors: Optimizing the Selectivity toward Fluoride Anion

Supporting Info

Jean-Luc Fillaut,*^† Julien Andriès,^† Johann Perruchon,^† Jean-Pierre Desvergne,^‡ Loïc Toupet,^§ Lotfi Fadel,^†^# Bachir Zouchoune,^†^# and Jean-Yves Saillard^†

UMR 6226 CNRS - Universit Rennes 1, Sciences chimiques de Rennes, Avenue du Gnral Leclerc, 35042 Rennes, France, UMR 5255 CNRS - Universit Bordeaux 1, Institut des Sciences Molculaires, 351, Cours de la Libration, 33405 Talence, France, UMR 6626 CNRS - Universit Rennes 1, Laboratoire de Physique de la Matire Condense, Universit de Rennes 1, 35042 Rennes, France, and Laboratoire de Chimie Molculaire, du Contrle de l'Environnement et des Mesures Physico-chimiques, Universit Mentouri-Constantine, 25000 Constantine, Algeria

Inorg. Chem., 2007, 46 (15), pp 5922–5932

DOI: 10.1021/ic062389i

Publication Date (Web): June 29, 2007

To whom correspondence should be addressed. E-mail: jean-luc.fillaut@univ-rennes1.fr.

†

Université Rennes 1, “Sciences chimiques de Rennes”.

‡

Université Bordeaux 1.

Université Rennes 1, Laboratoire de Physique de la Matière Condensée.

Université Mentouri-Constantine.

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.

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