Details

Autor(en) / Beteiligte

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

Titel

Cooperativity in multiple unusual weak bonds

Ist Teil von

• Theoretical chemistry accounts, 2010-05, Vol.126 (1-2), p.1-14

Ort / Verlag

Berlin/Heidelberg: Springer-Verlag

Erscheinungsjahr

2010

Quelle

SpringerLink

Beschreibungen/Notizen

• 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.