Cooperativity in multiple unusual weak bonds |
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Authors: | Ibon Alkorta Fernando Blanco Pere M. Deyà José Elguero Carolina Estarellas Antonio Frontera David Quiñonero |
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Affiliation: | 1. Instituto de Química Médica, CSIC, Juan de la Cierva 3, 28006, Madrid, Spain 2. Department of Chemistry, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122, Palma de Mallorca, Spain
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Abstract: | This review covers two aspects concerning cooperativity in multiple weak bonds: a summary of literature results and a theoretical study of a complete series of model complexes. All the 15 combination of five weak bonds were explored: hydrogen bonds, hydric bonds, dihydrogen bonds, halogen bonds and ion–π interactions. Since in several cases there were no examples reported, a systematic exploration has been carried out on simple models at the MP2/aug-cc-pVTZ level. The results thus obtained have been analyzed using the atoms in molecules methodology. |
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