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Hydrogen bonding in ionic liquids probed by linear and nonlinear vibrational spectroscopy

2012, Roth, C., Chatzipapadopoulos, S., Kerlé, D., Friedriszik, F., Lütgens, M., Lochbrunner, S., Kühn, O., Ludwig, R.

Three imidazolium-based ionic liquids of the type [Cnmim] [NTf2] with different alkyl chain lengths (n = 1, 2 and 8) at the first position of the imidazolium ring were studied applying infrared, linear Raman and multiplex coherent anti-Stokes Raman scattering spectroscopy. The focus has been on the CH-stretching region of the imidazolium ring, which is supposed to carry information about a possible hydrogen bonding network in the ionic liquid. The measurements are compared with calculations of the corresponding anharmonic vibrational spectra for a cluster of [C 2mim][NTf2] consisting of four ion pairs. The results support the hypothesis of weak hydrogen bonding involving the C(4)-H and C(5)-H groups and somewhat stronger hydrogen bonds of the C(2)-H groups.