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Título: | 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 |
Autor: | Jiménez-Moreno, Ester CSIC ORCID; Gómez, Ana M. CSIC ORCID ; Bastida, Agatha CSIC ORCID ; Corzana, Francisco; Jiménez-Osés, Gonzalo CSIC ORCID; Jiménez-Barbero, Jesús CSIC ORCID; Asensio, Juan Luis CSIC ORCID | Palabras clave: | dynamic combinatorial chemistry molecular recognition drug design CH-π interactions |
Fecha de publicación: | 2015 | Editor: | Wiley-VCH | Citación: | Angewandte Chemie International Edition 54: 4344-4348 (2015) | Resumen: | 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. | URI: | http://hdl.handle.net/10261/113435 | DOI: | 10.1002/anie.201411733 | Identificadores: | doi: 10.1002/anie.201411733 issn: 1433-7851 e-issn: 1521-3773 |
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