Interplay between anion-pi and hydrogen bonding interactions.
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.
Departament de Química, Universitat de les Illes Balears, 07122 Palma de Mallorca, Spain.
Daniel
D
Escudero
Antonio
A
Frontera
David
D
Quiñonero
Pere M
PM
Deyà
D000838:Anions / Q000737:chemistry*; D006860:Hydrogen Bonding; D008956:Models, Chemical; D015394:Molecular Structure; D011789:Quantum Theory; D013816:Thermodynamics
D000838:Anions