Structures and non-covalent interaction behaviours of binary systems containing the ionic liquid...

Mixtures of ionic liquids (ILs) and molecular solvents can overcome the drawbacks (high viscosity, high polarity, and high cost) of pure ILs and extend their practical use. The structural and interaction properties of ILs form the bases for understanding their properties. In this work, the structural properties of the mixtures of an IL, 1-(2'-hydroxylethyl)-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C2OHMIM][Tf₂N]), with chloroform, a molecular solvent of weak polarity, in various concentrations were analysed using Fourier transform infrared spectroscopy and density functional theory calculations. Excess spectra were used to analyse the infrared spectra. The IL forms a stable ion cluster-CDCl₃ complex with CDCl₃ in the concentration range investigated. In the ion cluster-CDCl₃ complex, the hydrogen atom of CDCl₃ forms hydrogen-bonds with the fluorine atoms of the anion. In addition, the chlorine atom of CDCl₃ forms a halogen-bond with the oxygen atom of the anion. All the hydrogen and halogen-bonds identified between the [C2OHMIM][Tf₂N] ion cluster and CDCl₃ exhibit low strength, closed shells, and electrostatically dominant interactions.