title: Anion-tri-s-triazine bonding: a case for anion recognition.
abstract: An ab initio study of the possible interaction between several anions (F(-), Cl(-), N(3)(-), N(4)(-), and N(5)(-)) and tri-s-triazine molecule, an electron-deficient aromatic ring, has been carried out at the B3LYP and MP2 levels of theory. Minima are located corresponding to hydrogen bonding, pi-pi stacking, and reactive complexes. This novel mode of bonding suggests the development of new cyclophane-type receptors for the recognition of anions.
authors.affiliation: Faculty of Chemistry, Sichuan University, Chengdu, Sichuan 610064, P R China.
authors.forename: Wenxu
authors.initials: W
authors.lastname: Zheng
authors.forename: Ning-Bew
authors.initials: NB
authors.lastname: Wong
authors.forename: Anmin
authors.initials: A
authors.lastname: Tian