Cover Image

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

Petr Toman, Emanuel Makrlík, Petr Vanura

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.

 


Keywords


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

Full Text:

PDF

Refbacks

  • There are currently no refbacks.


Copyright (c) 2013 Petr Toman, Emanuel Makrlík, Petr Vanura

Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 International License.