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Interplay between Edge-to-Face Aromatic and Hydrogen-Bonding Interactions

✍ Scribed by Escudero, Daniel; Frontera, Antonio; Quiñonero, David; Deyà, Pere M.

Book ID
127368515
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
361 KB
Volume
112
Category
Article
ISSN
1089-5639

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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‐π and hydrogen bonding interactions coexist. These synergist

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Chemical double mutant cycles have been used to measure the magnitude of edge-to-face aromatic interactions in hydrogen-bonded zipper complexes as a function of substituents on both aromatic rings. The interaction energies vary depending on the combination of substituents from +1.0 kJ mol-1 (repulsi