Interplay between anion-pi and hydrogen bonding interactions |
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| Authors: | Escudero Daniel Frontera Antonio Quiñonero David Deyà Pere M |
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| Affiliation: | Departament de Química, Universitat de les Illes Balears, 07122 Palma de Mallorca, Spain. |
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| Abstract: | The interplay between two important noncovalent interactions involving aromatic rings is studied by means of high level ab initio calculations. They demonstrate that synergistic effects are present in complexes where anion-pi and hydrogen bonding interactions coexist. These synergistic effects have been studied using the "atoms-in-molecules" theory and the Molecular Interaction Potential with polarization partition scheme. The present study examines how these two interactions mutually influence each other. |
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| Keywords: | noncovalent interactions hydrogen bonding anion‐π interactions cooperativity ab initio calculations |
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