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Monatshefte für Chemie - Chemical Monthly

, Volume 138, Issue 12, pp 1239–1242 | Cite as

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

  • Jiří Dybal
  • Emanuel MakrlíkEmail author
  • Petr Vaňura
  • Pavel Selucký
Article

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.

Keywords. Calixarenes; Macrocycles; Protonation; Stability; DFT. 

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Copyright information

© Springer-Verlag 2007

Authors and Affiliations

  • Jiří Dybal
    • 1
  • Emanuel Makrlík
    • 2
    Email author
  • Petr Vaňura
    • 3
  • Pavel Selucký
    • 4
  1. 1.Institute of Macromolecular ChemistryAcademy of Sciences of the Czech RepublicPragueCzech Republic
  2. 2.Faculty of Applied SciencesUniversity of West BohemiaPilsenCzech Republic
  3. 3.Institute of Chemical TechnologyPragueCzech Republic
  4. 4.Nuclear Research InstituteŘežCzech Republic

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