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Monatshefte für Chemie - Chemical Monthly

, Volume 138, Issue 8, pp 735–740 | Cite as

Protonated Tetramethyl p-tert-Butylcalix[4]arene Tetraketone: NMR Evidence and Probable Structures

  • Jaroslav Kříž
  • Jiří Dybal
  • Emanuel Makrlík
  • Jan Budka
  • Petr VaňuraEmail author
Article

Summary.

Both NMR spectra in nitrobenzene-d 5 and high-precision quantum mechanical DFT calculations proved that tetramethyl p-tert-butylcalix[4]arene tetraketone binds hydroxonium cation H3O+ quite strongly to form an equimolar complex. Three different structures of the resulting complex species were indicated by the NMR spectra and the DFT calculations.

Keywords. Calixarenes; Macrocycles; Protonation; NMR; DFT. 

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Copyright information

© Springer-Verlag 2007

Authors and Affiliations

  • Jaroslav Kříž
    • 1
  • Jiří Dybal
    • 1
  • Emanuel Makrlík
    • 2
  • Jan Budka
    • 3
  • Petr Vaňura
    • 3
    Email author
  1. 1.Academy of Sciences of the Czech RepublicInstitute of Macromolecular ChemistryPragueCzech Republic
  2. 2.Faculty of Applied SciencesUniversity of West BohemiaPilsenCzech Republic
  3. 3.Institute of Chemical TechnologyPragueCzech Republic

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