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A study of the cesium cation bonding to carboxylate anions by the kinetic method and quantum chemical calculations |
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| Authors: | Charly Mayeux Jean‐François Gal Laurence Charles Lionel Massi Pierre‐Charles Maria Jaana Tammiku‐Taul Ene‐Liis Lohu Peeter Burk |
| Affiliation: | 1. Institut de Chimie de Nice (FR CNRS 3037), Laboratoire de Radiochimie, Sciences Analytiques et Environnement, and Plate‐forme Technologique de Chimie‐Spectrométrie de Masse, Faculté des Sciences, Université de Nice Sophia‐Antipolis, Parc Valrose, 06108 Nice Cedex 2, France;2. Universités Aix‐Marseille I, II & III (CNRS, UMR 6264), Laboratoire Chimie Provence, Spectrométries Appliquées à la Chimie Structurale, F‐13397 Marseille, France;3. Institute of Chemistry, University of Tartu, Ravila 14A, 50411, 51014 Tartu, Estonia |
| Abstract: | Collision‐induced dissociation (CID) of the Cs+ heterodimer adducts of the nitrate anion (NO3?) and a variety of substituted benzoates (XBenz?) [(XBenz?)(Cs+)(NO3?)]? produces essentially nitrate and benzoate ions. A plot of the natural logarithm of their intensity ratio, ln[I (NO3?)/I(XBenz?)], versus the calculated cesium cation affinity (DFT B3LYP) of the substituted benzoate ions (equivalent to the enthalpy of heterolytic dissociation of the salt) is reasonably linear. This suggests that the kinetic method can be used as a source of data on the intrinsic interaction between the anionic and the cationic moieties in a salt. Copyright © 2010 John Wiley & Sons, Ltd. |
| Keywords: | cesium clusters cesium cation affinity anion/cation interaction DFT calculations kinetic method |