Anion-tri-s-triazine bonding: a case for anion recognition.
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.
Zheng
Wenxu
W
Faculty of Chemistry, Sichuan University, Chengdu, Sichuan 610064, P R China.
Wong
Ning-Bew
NB
Tian
Anmin
A