New Aluminum-Based Ionic Liquids: Synthesis, Characterization, and
Theoretical Study

Hossein Tavakol,1 Saeed Hatami,2 Shahryar Ghammamy,3
Gholamreza Rezaei Bebahani,3 and Fahmideh Shabani4

ABSTRACT:

Synthesis, characterization, spectral and molecular parameters of some new roomtemperature ionic liquids (tetraalkylammonium
bromotrichloro aluminum [R4N]+[AlCl3Br]−) have been studied in the present study. All synthesized ionic liquids were characterized by IR, 1H, 13C, and 81Br-NMR. In addition, synthesized structures were optimized at the B3LYP/LANL2DZ level of theory and then the structures, molecular specifications, and infrared spectra of these were extracted using Gaussian 03 program. Theoretical data show good agreement with the experimental results.