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Cooperativity in multiple unusual weak bonds

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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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Authors and Affiliations

  1. Instituto de Química Médica, CSIC, Juan de la Cierva 3, 28006, Madrid, Spain

    Ibon Alkorta, Fernando Blanco & José Elguero

  2. Department of Chemistry, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122, Palma de Mallorca, Spain

    Pere M. Deyà, Carolina Estarellas, Antonio Frontera & David Quiñonero

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  1. Ibon Alkorta
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  2. Fernando Blanco
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  3. Pere M. Deyà
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  4. José Elguero
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Correspondence to Ibon Alkorta or Antonio Frontera.

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Alkorta, I., Blanco, F., Deyà, P.M. et al. Cooperativity in multiple unusual weak bonds. Theor Chem Acc 126, 1–14 (2010). https://doi.org/10.1007/s00214-009-0690-1

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