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Stability and DFT Calculated Structure of Protonated Tetraethyl p-tert-Butyltetrathiacalix[4]arenetetraacetate in the cone Conformation

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Summary.

From extraction experiments in the two-phase water-nitrobenzene system and γ-activity measurements, the stability constant of protonated tetraethyl p-tert-butyltetrathiacalix[4]arenetetraacetate (cone) in nitrobenzene saturated with water was determined. Three different structures of the resulting complex species were indicated by means of the DFT calculations.

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Authors and Affiliations

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

    Jiří Dybal

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

    Emanuel Makrlík

  3. Institute of Chemical Technology, Prague, Czech Republic

    Petr Vaňura

  4. Nuclear Research Institute, Řež, Czech Republic

    Pavel Selucký

Authors
  1. Jiří Dybal
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  2. Emanuel Makrlík
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  3. Petr Vaňura
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  4. Pavel Selucký
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Correspondence to Emanuel Makrlík.

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Dybal, J., Makrlík, E., Vaňura, P. et al. Stability and DFT Calculated Structure of Protonated Tetraethyl p-tert-Butyltetrathiacalix[4]arenetetraacetate in the cone Conformation. Monatsh. Chem. 138, 1239–1242 (2007). https://doi.org/10.1007/s00706-007-0731-1

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  • DOI: https://doi.org/10.1007/s00706-007-0731-1

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