Abstract

Shahriare Ghammamy

The synthesis of Tetrahepthylammoniumbromotrichloroaluminate ionic liquid (IL) is reported here. The product was characterized by spectroscopic and analytical methods such as FT-IR 13C-NMR, 1H-NMR,81Br-NMR and Mass spectroscopy. The results show that this IL has excellent thermal stability below 110æ%C. Along with the experimental study; this compound has been studied computationally at the B3LYP/LANL2DZ level of theory using the Gaussian 98 program package. From these calculations, optimized geometries, molecular parameters, and vibrational spectra of IL have been calculated. In addition, calculated frequencies are compared with the experimental frequencies after correction by the appropriate scaling factor. This comparison shows that our theoretical data are in good agreement with the experimental results.

Aluminate; Frequency; Ionic liquid; Room temperature

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