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Vaporisation of a dicationic ionic liquid revisited.

Joana Vitorino1, João P Leal, Peter Licence

  • 1Departamento de Química e Bioquímica/FCUL, 1649-016 Lisboa, Portugal.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|November 9, 2010
PubMed
Summary

The vapor phase of dicationic ionic liquids consists of neutral ion triplets. This finding clarifies the vaporization behavior of these unique ionic compounds.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Chemical Physics

Background:

  • Dicationic ionic liquids (DILs) exhibit unique properties due to their divalent cations.
  • Understanding the vaporization behavior of DILs is crucial for their application in various fields.
  • Previous studies using line-of-sight mass spectrometry offered initial insights into DIL vaporization.

Purpose of the Study:

  • To further investigate the composition of the vapor phase of dicationic ionic liquids.
  • To elucidate the vaporization mechanisms and thermodynamics of DILs.
  • To compare the vaporization enthalpies of DILs with their monocationic counterparts.

Main Methods:

  • Ion-cyclotron resonance mass spectroscopy (ICR-MS) for detailed gas-phase species analysis.
  • Controlled ion-molecule reactions within the ICR-MS to identify and quantify vapor components.
  • Molecular dynamics (MD) simulations to model and explain vaporization enthalpies.

Main Results:

  • The vapor phase of aprotic dicationic ionic liquids is predominantly composed of neutral ion triplets (one dication associated with two anions).
  • ICR-MS with ion-molecule reactions provided precise identification of the vapor species.
  • MD simulations offered explanations for the observed vaporization enthalpies, differentiating DILs from monocationic ionic liquids.

Conclusions:

  • The vaporization of dicationic ionic liquids results in the formation of neutral ion triplets in the gas phase.
  • The study provides a deeper understanding of the molecular interactions governing DIL vaporization.
  • These findings are significant for the design and application of dicationic ionic liquids.