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2017-11-22 - Article/Dans un journal avec peer-review - Anglais - 8 page(s)

Ayzac Virgile, Raynal M., Isare B., Idé J., Brocorens Patrick , Lazzaroni Roberto , Etienne Thibaud, Monari Antonio, Assfeld X., Bouteiller L., "Probing halogen-halogen interactions in solution" in Physical Chemistry Chemical Physics [=PCCP], 19, 48, 32443-32450, DOI: 10.1039/c7cp06996k

  • Edition :
  • Codes CREF : Chimie macromoléculaire (DI1315), Chimie théorique (DI1311)
  • Unités de recherche UMONS : Chimie des matériaux nouveaux (S817)
  • Instituts UMONS : Institut de Recherche en Science et Ingénierie des Matériaux (Matériaux)
  • Centres UMONS : Centre d’Innovation et de Recherche en Matériaux Polymères (CIRMAP)
Texte intégral :

Abstract(s) :

(Anglais) Halogen-halogen interactions are a particularly interesting class of halogen bonds that are known to be essential design elements in crystal engineering. In solution, it is likely that halogen-halogen interactions also play a role, but the weakness of this interaction makes it difficult to characterize or even simply detect. We have designed a supramolecular balance that allows detecting Br⋯Br interactions between CBr3 groups in solution and close to room temperature. The sensitivity and versatility of the chosen platform have allowed accumulating consistent data. In halogenoalkane solvents, we propose estimates for the free energy of these weak halogen bond interactions. In toluene solutions, we show that the interactions between Br atoms and the solvent aromatic groups dominate over the Br⋯Br interactions.