Physicochemical properties, structure, and conformations of 1-Butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide [C4mim]NTf2 ionic liquid.
Thermodynamic properties of 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([C4mim]NTf2) ionic liquid have been studied by adiabatic calorimetry in the temperature range of 5 to 370 K. This compound has been found to form crystal, liquid, and glass. The temperature and enthalpy of fusion for [C(4)mim]NTf(2) have been determined to be T(fus) = 270.22 +/- 0.02 K and Delta(fus)H = 23.78 +/- 0.04 kJ.mol(-1), respectively. The heat capacity of crystalline [C(4)mim]NTf(2) in the T range of 205 to 255 K may vary by a few percent, subject to the procedure of the crystal preparation. The glass transition temperature for [C(4)mim]NTf(2) has been found to be T(g) = 181.5 +/- 0.1 K. On the basis of the results of DFT quantum chemical calculations, the experimental vibrational spectra, and the available literature data, thermodynamic properties of [C(4)mim]NTf(2) in the ideal-gas state have been calculated by the statistical thermodynamic methods. The entropy values for the gaseous compound obtained from the experimental data and the calculations are in satisfactory agreement.
Blokhin
Andrey V
AV
Chemistry Faculty, Research Institute for Physical Chemical Problems, Belarusian State University, Leningradskaya 14, 220030 Minsk, Belarus.
Paulechka
Yauheni U
YU
Strechan
Aliaksei A
AA
Kabo
Gennady J
GJ