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Dynamics of binary mixtures of an ionic liquid and ethanol by NMR.

Amin Ordikhani SeyedlarJoão Pedro de Almeida MartinsPedro José SebastiãoMaria José Jardim BeiraSiegfried StapfFabián Vaca ChávezCarlos Mattea
Published in: Magnetic resonance in chemistry : MRC (2017)
A study of molecular dynamics of the ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoro-methylsulphonyl)imide ([Emim][Tf2N]) in solution with deuterated ethanol at different molar concentration and temperatures is presented. The study was performed using 1 H and 2 H nuclear magnetic relaxation and 2 H 1D spectroscopy. The temperature dependence of the spin-lattice relaxation time T1 of the cations allows the evaluation of the activation energies of the rotational degree of freedom of these molecules. The viscosity in the binary system increases with the concentration of ionic liquid. However, the activation energy in the cation molecules decreases when the concentration of the ionic liquid increases, indicating that the rotational dynamics is facilitated. This behavior is explained from the fact that the presence of the ionic liquid in the system disrupts the degree of intermediate range order expected in the alcohol system. Copyright © 2017 John Wiley & Sons, Ltd.
Keyphrases
  • ionic liquid
  • molecular dynamics
  • room temperature
  • density functional theory
  • single molecule
  • high resolution