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Bambus[6]uril as a novel macrocyclic receptor for the nitrate anion
Petr Toman1, Emanuel Makrlík, Petr Vanura
1Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Heyrovského sq. 2, 162 06 Prague 6, Czech Republic.
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.
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