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We measure the far-infrared spectrum of N,N-Dimethyl-N-ethyl-N-benzylammonium (DEBA) bis(trifluoromethanesulfonyl)\udimide (TFSI) ionic liquid (IL) in the temperature range between 160 and 307 K. Differential scanning calorimetry\udmeasurements indicate that such IL undergoes a glass transition around 210K. DFT calculations allow us to assign all the\udexperimental absorptions to specific vibrations of the DEBA cation or of the two conformers of the TFSI anion. We find that the\udvibration frequencies calculated by means of the PBE0 functional are in better agreement with the experimental ones than those\udcalculated at the B3LYP level, largely used for the attribution of vibration lines of ionic liquids. Experimentally we show that, in the\udliquid state, the relative concentrations of the two conformers of TFSI depend on temperature through the Boltzmann factor and\udthe energy separation, ΔH, is found to be ≈2 kJ/mol, in agreement with previous calculations and literature. However, in the glassy\udstate, the concentrations of the cis-TFSI and trans-TFSI remain fixed, witnessing the frozen state of this phase

An Infrared Spectroscopy Study of the Conformational Evolution of the Bis(trifluoromethanesulfonyl)imide Ion in the Liquid and in the Glass State