title: Dual binding mode of s-triazine to anions and cations.
abstract: Ab initio calculations were performed on complexes between cations and s-triazine, which has a small and positive quadrupole moment. Minimum energy pi-complexes were found between s-triazine and cations. Minimum pi-complexes with anions were previously reported. This ability of s-triazine to form stable complexes with either anions or cations is studied using several theoretical methods. A likely explanation of this duality is the stabilization obtained from the ion-induced polarization. [structure: see text]
authors.affiliation: Departament de Química, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Palma de Mallorca, Spain.
authors.forename: Carolina
authors.initials: C
authors.lastname: Garau
authors.forename: David
authors.initials: D
authors.lastname: Quiñonero
authors.forename: Antonio
authors.initials: A
authors.lastname: Frontera
authors.forename: Pablo
authors.initials: P
authors.lastname: Ballester
authors.forename: Antoni
authors.initials: A
authors.lastname: Costa
authors.forename: Pere M
authors.initials: PM
authors.lastname: Deyà