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A study of the cesium cation bonding to carboxylate anions by the kinetic method and quantum chemical calculations

✍ Scribed by Charly Mayeux; Jean-François Gal; Laurence Charles; Lionel Massi; Pierre-Charles Maria; Jaana Tammiku-Taul; Ene-Liis Lohu; Peeter Burk

Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
223 KB
Volume
45
Category
Article
ISSN
1076-5174

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✦ Synopsis

Abstract

Collision‐induced dissociation (CID) of the Cs^+^ heterodimer adducts of the nitrate anion (NO~3~^−^) and a variety of substituted benzoates (XBenz^−^) [(XBenz^−^)(Cs^+^)(NO~3~^−^)]^−^ produces essentially nitrate and benzoate ions. A plot of the natural logarithm of their intensity ratio, ln[I (NO~3~^−^)/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.

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