Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

ABSTRACT

A series of 1-vinyl-3-alkylimidazolium halide ([VRIM]X) and 1-vinyl-3-esterimidazolium chloride ([VEIM]Cl) ionic liquids, a functional material with unsaturated bonds, were synthesized by using microwave-assisted synthesis method. The structures were characterized by 1H NMR. Through Gaussian09/B3PW91/6-311G (2d,p) density functional methods, the interaction energies of ion pairs of [VRIM]X and [VEIM]Cl were obtained. The relationships between the surface tensions and temperature (293.15 to 333.15) K, molecular structure, and the interaction energies of ion pairs, etc. along with the relationships between the solubility and molecular structure, common solvents, and the interaction energies of ion pairs, etc. were discussed systematically. The results showed that surface tension decreased linearly with temperature and decreased with the elongation of the alkyl chain length on cation and the decrease of interaction energies of ion pairs. With decreasing dielectric constant of solvent or the increase of the anion size, the solubility of the title ionic liquids decreased. With the elongation of the alkyl chain length, the interaction energies of ion pairs decreased, and the solubility in polar solvents had decreasing trend. The relationship between the surface tensions and solubility parameter for [VRIM]Br was expressed by using Hildebrand Scoff equation.