Journal of Solution Chemistry

, Volume 44, Issue 3–4, pp 754–768 | Cite as

Thermochemistry of Ammonium Based Ionic Liquids: Thiocyanates—Experiments and Computations

  • Andrei V. Yermalayeu
  • Dzmitry H. Zaitsau
  • Vladimir N. Emel’yanenko
  • Sergey P. Verevkin
Article

Abstract

Molar enthalpies of solution of tetra-n-butylammonium thiocyanate [N(Bu)4][SCN] and tetra-n-pentylammonium thiocyanate [N(Pe)4][SCN] in water were measured by using solution calorimetry. The enthalpy of combustion of [N(Bu)4][SCN] was measured by using rotation bomb combustion calorimetry and the enthalpy of formation of this ionic liquids was derived. The thermal behavior of [N(Bu)4][SCN] was studied using differential scanning calorimetry. Quantum-chemical calculations of the molar enthalpy of formation in the gaseous phase have been performed for the series [N(R)4][SCN] with R = (Me, Et, n-Bu, and n-Pe) using the G3MP2 level of theory. Experimental and calculated values of the enthalpies of formation are in agreement within the boundaries of the experimental uncertainties.

Keywords

Ionic liquids Solution calorimetry Combustion calorimetry Enthalpy of formation Enthalpy of solution Quantum-chemical calculations 

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Copyright information

© Springer Science+Business Media New York 2015

Authors and Affiliations

  • Andrei V. Yermalayeu
    • 1
  • Dzmitry H. Zaitsau
    • 2
  • Vladimir N. Emel’yanenko
    • 2
  • Sergey P. Verevkin
    • 1
    • 2
  1. 1.Department of Physical ChemistryUniversity of RostockRostockGermany
  2. 2.Department of Physical ChemistryKazan Federal UniversityKazanRussia

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