Interplay between edge-to-face aromatic and hydrogen-bonding interactions.
The interplay between two important noncovalent interactions involving aromatic rings is studied by means of MP2/6-31++G** ab initio calculations. They indicate that synergistic effects are present in complexes where edge-to-face aromatic interactions and hydrogen-bonding interactions coexist. These synergistic effects have been studied bu using the atoms in molecules theory and the molecular interaction potential with polarization partition scheme. Experimental evidence for such interactions has been obtained from the Cambridge Structural Database.
Departament de Química, Universitat de les Illes Balears, 07122 Palma de Mallorca.
Daniel
D
Escudero
Antonio
A
Frontera
David
D
Quiñonero
Pere M
PM
Deyà
D018360:Crystallography, X-Ray; D016208:Databases, Factual; D004583:Electrons; D006860:Hydrogen Bonding; D011789:Quantum Theory; D011804:Quinolines / Q000737:chemistry
D011804:Quinolines