Bambus[6]uril as a Novel Macrocyclic Receptor for the Nitrate Anion

Authors

  • Petr Toman Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Heyrovského sq. 2, 162 06 Prague 6, Czech Republic
  • Emanuel Makrlík Faculty of Environmental Sciences, Czech University of Life Sciences, Prague, Kamýcká 129, 165 21 Prague 6, Czech Republic
  • Petr Vanura Department of Analytical Chemistry, Institute of Chemical Technology, Prague, Technická 5, 166 28 Prague 6, Czech Republic

Keywords:

Bambus[6]uril, nitrate anion, complexation, DFT calculations, structures

Abstract

By using quantum mechanical DFT calculations, the most probable structure of the bambus[6]uril x NO3(-) anionic complex species was derived. In this complex having C3 symmetry, the nitrate anion NO3(-), included in the macrocyclic cavity, is bound by twelve weak hydrogen bonds between methine hydrogen atoms on the convex face of glycoluril units and the considered NO3(-) ion.

 

Author Biography

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

 

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Published

22.10.2013

Issue

Vol. 60 No. 1 (2013)

Section

Physical chemistry

License

Except where otherwise noted, articles in this journal are published under the Creative Commons Attribution 4.0 International License