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Experimental and theoretical study of the complexation of the thallium cation with a hexaarylbenzene-based receptor

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Abstract

From extraction experiments in the two-phase water/nitrobenzene system and γ-activity measurements, the stability constant of a hexaarylbenzene-based receptor. Tl+ complex species dissolved in nitrobenzene saturated with water was determined. By using the quantum-mechanical density functional level of theory calculations, the most probable structure of this complex was derived.

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Acknowledgments

This work was supported by the Czech Ministry of Education, Youth, and Sports (projects MSM 4977751303 and MSM 6046137307) and by the Czech Science Foundation (project P205/10/2280). The computer time at the MetaCentrum (project MSM 6383917201), as well as at the Institute of Physics (computer Luna/Apollo), Academy of Sciences of the Czech Republic, is gratefully acknowledged. Finally, R.R. thanks the National Science Foundation for financial support.

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Authors and Affiliations

  1. Faculty of Applied Sciences, University of West Bohemia, Pilsen, Czech Republic

    Emanuel Makrlík

  2. Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic

    Petr Toman

  3. Department of Analytical Chemistry, Institute of Chemical Technology, Prague, Czech Republic

    Petr Vaňura

  4. Department of Chemistry, Marquette University, Milwaukee, WI, USA

    Rajendra Rathore

Authors
  1. Emanuel Makrlík
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  2. Petr Toman
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  3. Petr Vaňura
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  4. Rajendra Rathore
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Correspondence to Emanuel Makrlík.

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Makrlík, E., Toman, P., Vaňura, P. et al. Experimental and theoretical study of the complexation of the thallium cation with a hexaarylbenzene-based receptor. Monatsh Chem 142, 447–451 (2011). https://doi.org/10.1007/s00706-011-0465-y

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  • DOI: https://doi.org/10.1007/s00706-011-0465-y

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