A study of the cesium cation bonding to carboxylate anions by the kinetic method and quantum chemical calculations
2010
Mayeux, Charly | Gal, Jean-François | Charles, Laurence | Massi, Lionel | Maria, Pierre-Charles | Tammiku-Taul, Jaana | Lohu, Ene-Liis | Burk, Peeter
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.
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