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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

AuthorsJiménez-Moreno, Ester; Gómez, Ana M. ; Bastida, Agatha ; Corzana, Francisco; Jiménez-Osés, Gonzalo ; Jiménez-Barbero, Jesús ; Asensio, Juan Luis
Keywordsdynamic combinatorial chemistry
molecular recognition
drug design
CH-π interactions
Issue Date2015
CitationAngewandte Chemie International Edition 54: 4344-4348 (2015)
AbstractElectrostatic 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.
Identifiersdoi: 10.1002/anie.201411733
issn: 1433-7851
e-issn: 1521-3773
Appears in Collections:(IQOG) Artículos
(CIB) Artículos
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