Abstract
The synthesis of nineteen new linear symmetric tricationic ionic liquids (7a-s) with imidazolium-based structures is reported. The physicochemical properties of the new cations as morpholine, N,N-dimethyl amino pyridine, N-methylimidazole, N-methyl piperazine, also the anions as Cl−, −OSO2CH3, −OSO2Ph, CH3CO2−, CF3CO2− were evaluated. The theoretical studies employing DFT and MD simulation were used to analyze the experimental data as density, molar volume, solubility, lattice energy and ΔH. The strategy of synthesis provided the imidazolium core with different nucleophiles in good yield and diversity. The results of the density and molar volume were compared with the experimental data verifying a close agreement. The values of relative solubility and solubility parameters showed that these molecules are completely insoluble in non-polar solvents, and their affinity predominates in solvents with high dipole moments such as water, alcohols, and ketones. The lattice energy values showed a tendency towards the formation of stable ionic liquids.
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