Theoretical Chemistry Accounts

, Volume 126, Issue 1, pp 1–14

Cooperativity in multiple unusual weak bonds

  • Ibon Alkorta
  • Fernando Blanco
  • Pere M. Deyà
  • José Elguero
  • Carolina Estarellas
  • Antonio Frontera
  • David Quiñonero
Feature Article

DOI: 10.1007/s00214-009-0690-1

Cite this article as:
Alkorta, I., Blanco, F., Deyà, P.M. et al. Theor Chem Acc (2010) 126: 1. doi:10.1007/s00214-009-0690-1

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.

Keywords

Hydrogen bondsHydric bondsDihydrogen bondsHalogen bondsIon–π interactions

Copyright information

© Springer-Verlag 2009

Authors and Affiliations

  • Ibon Alkorta
    • 1
  • Fernando Blanco
    • 1
  • Pere M. Deyà
    • 2
  • José Elguero
    • 1
  • Carolina Estarellas
    • 2
  • Antonio Frontera
    • 2
  • David Quiñonero
    • 2
  1. 1.Instituto de Química MédicaCSICMadridSpain
  2. 2.Department of ChemistryUniversitat de les Illes BalearsPalma de MallorcaSpain