Interaction of the cesium cation with mono-, di-, and tricarboxylic acids in the gas phase. A Cs+ affinity scale for cesium carboxylates ion pairs |
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Authors: | Charly Mayeux Jaana Tammiku-Taul Lionel Massi Ene-Liis Lohu Peeter Burk Pierre-Charles Maria Jean-François Gal |
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Institution: | 1. Institut de Chimie de Nice, Laboratoire de Radiochimie, Sciences Analytiques et Environnement, and Plate-forme Technologique de Chimie-Spectrométrie de Masse, Faculté des Sciences, Université de Nice Sophia-Antipolis, Nice, France 2. Institute of Chemistry, University of Tartu, Tartu, Estonia
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Abstract: | Humic substances (HS), including humic and fulvic acids, play a significant role in the fate of metals in soils. The interaction
of metal cations with HS occurs predominantly through the ionized (anionic) acidic functions. In the context of the effect
of HS on transport of radioactive cesium isotopes in soils, a study of the interaction between the cesium cation and model
carboxylic acids was undertaken. Structure and energetics of the adducts formed between Cs+ and cesium carboxylate salts Cs+RCOO−] were studied by the kinetic method and density functional theory (DFT). Clusters generated by electrospray ionization mass
spectrometry from mixtures of a cesium salt (nitrate, iodide, trifluoroacetate) and carboxylic acids were quantitatively studied
by CID. By combining the results of the kinetic method and the energetic data from DFT calculations, a scale of cesium cation
affinity, CsCA, was built for 33 cesium carboxylates representing the first scale of cation affinity of molecular salts. The
structural effects on the CsCA values are discussed. |
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