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Complexation of the cesium cation with lithium ionophore VIII: extraction and DFT study

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Abstract

From extraction experiments and γ-activity measurements, the extraction constant corresponding to the equilibrium Cs+(aq) + 1·Na+ (nb) = 1·Cs+(nb) + Na+(aq) taking place in the two-phase water-nitrobenzene system (1 = lithium ionophore VIII; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log K ex (Cs+, 1·Na+) = −0.5 ± 0.1. Further, the stability constant of the 1·Cs+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 °C: log β nb (1·Cs+) = 4.8 ± 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1·Cs+ was derived. In the resulting complex, the “central” cation Cs+ is bound by six bond interactions to the corresponding six oxygen atoms of the parent ligand 1.

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Acknowledgments

This work was supported by the Grant Agency of Faculty of Environmental Sciences, Czech University of Life Sciences, Prague, Project No.: 42900/1312/3114 “Environmental Aspects of Sustainable Development of Society”, and by the Czech Ministry of Education, Youth, and Sports (Project MSM 6046137307).

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Authors and Affiliations

  1. Faculty of Environmental Sciences, Czech University of Life Sciences, Prague, Kamýcká 129, 165 21, Prague 6, Czech Republic

    E. Makrlík

  2. Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo Sq. 2, 166 10, Prague 6, Czech Republic

    V. Novák & P. Bouř

  3. Department of Analytical Chemistry, Institute of Chemical Technology, Prague, Technická 5, 166 28, Prague 6, Czech Republic

    P. Vaňura

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  1. E. Makrlík
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  2. V. Novák
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  3. P. Vaňura
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Correspondence to E. Makrlík.

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Makrlík, E., Novák, V., Vaňura, P. et al. Complexation of the cesium cation with lithium ionophore VIII: extraction and DFT study. J Radioanal Nucl Chem 298, 2065–2068 (2013). https://doi.org/10.1007/s10967-013-2686-5

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  • DOI: https://doi.org/10.1007/s10967-013-2686-5

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