Author/Authors :
Escudero، نويسنده , , Daniel and Frontera، نويسنده , , Antonio and Quiٌonero، نويسنده , , David and Deyà، نويسنده , , Pere M.، نويسنده ,
Abstract :
The interplay between two important non-covalent interactions involving aromatic rings is studied by means of ab initio calculations (MP2/6-31++G∗∗). They demonstrate that synergetic effects are present in complexes where cation-π and hydrogen bonding interactions coexist. These synergetic effects have been studied using the ‘atoms-in-molecules’ theory and the molecular interaction potential with polarization partition scheme.
