title: Bambus[6]uril as a novel macrocyclic receptor for the nitrate anion.
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.
authors.affiliation: Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Heyrovského sq. 2, 162 06 Prague 6, Czech Republic.
authors.forename: Petr
authors.initials: P
authors.lastname: Toman
authors.forename: Emanuel
authors.initials: E
authors.lastname: Makrlík
authors.forename: Petr
authors.initials: P
authors.lastname: Vanura