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.

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