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Interplay Between Cation-π, Anion-π and π-π Interactions

The interplay between three important noncovalent interactions involving aromatic rings is studied by means of high level ab initio calculations. They demonstrate that very strong synergic effects are present in complexes where either cation-π or anion-π and π-π interactions coexist. These strong synergic effects have been studied using the atoms in molecules theory and the physical nature of the interactions investigated by means of the molecular interaction potential with polarization (MIPp).

Interplay between cation-pi, anion-pi and pi-pi interactions

D. Quiñonero, A. Frontera, C. Garau, P. Ballester, A. Costa, P. M. Deyà

ChemPhysChem 2006, 7, 2487-2491
DOI: Go to the journal

Associated ICIQ research group/s:

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