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Modulating Weak Interactions for Molecular Recognition: A Dynamic Combinatorial Analysis for Assessing the Contribution of Electrostatics to the Stability of CH–π Bonds in Water
Author(s) -
JiménezMoreno Ester,
Gómez Ana M.,
Bastida Agatha,
Corzana Francisco,
JiménezOses Gonzalo,
JiménezBarbero Jesús,
Asensio Juan Luis
Publication year - 2015
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201411733
Subject(s) - electrostatics , stability (learning theory) , molecular dynamics , charge (physics) , chemistry , gas phase , chemical physics , computational chemistry , phase (matter) , molecular recognition , electron transfer , computer science , molecule , organic chemistry , machine learning , physics , quantum mechanics
Electrostatic and charge‐transfer contributions to CH–π complexes can be modulated by attaching electron‐withdrawing substituents to the carbon atom. While clearly stabilizing in the gas phase, the outcome of this chemical modification in water is more difficult to predict. Herein we provide a definitive and quantitative answer to this question employing a simple strategy based on dynamic combinatorial chemistry.