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Alkylimidazolium Protic Ionic Liquids: Structural Features and Physicochemical Properties.

Liudmila E Shmukler1, Irina V Fedorova1, Yuliya A Fadeeva1

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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|December 14, 2021
PubMed
Summary

This study investigates protic ionic liquids (PILs) with varying alkyl chain lengths. Longer alkyl chains in imidazolium cations decrease melting points due to weaker ion interactions and hydrogen bonding.

Keywords:
alkylimidazolium cationhydrogen bondion-ion interactionionic liquidsphysicochemical properties

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Area of Science:

  • Materials Science
  • Physical Chemistry
  • Chemical Engineering

Background:

  • Protic ionic liquids (PILs) are salts with proton transfer between ions.
  • Understanding their thermal and transport properties is crucial for applications.
  • Imidazolium-based PILs are widely studied due to their tunable properties.

Purpose of the Study:

  • To analyze the impact of anion nature and cation alkyl chain length on PIL properties.
  • To investigate the microscopic structure and cation-anion interactions in PILs.
  • To compare protic ionic liquids with analogous aprotic ionic liquids.

Main Methods:

  • Literature data analysis and experimental determination of thermal and transport properties.
  • Density Functional Theory (DFT) calculations in gas and solvent phases.
  • Comparative analysis of PILs and corresponding aprotic ionic liquids (ILs).

Main Results:

  • Higher thermodynamic stability of ion pairs increases PIL decomposition temperature.
  • Melting points decrease with increasing hydrocarbon radical length in the cation.
  • Weaker ion-ion interactions correlate with lower melting points.
  • Protic ILs exhibit lower melting points than aprotic ILs due to weakened ion-ion interactions and hydrogen bonds.

Conclusions:

  • Anion nature and cation alkyl chain length significantly influence PIL thermal and transport properties.
  • DFT calculations provide microscopic insights into cation-anion binding.
  • Structural modifications in PILs offer a route to tune their properties for specific applications.