Two new ionic liquids compounds: tetrapropylammonium bromotrifluoroborate [(C 3 H 7 ) 4 N][BF 3 Br]; (1) and tetrabutylammonium bromotrifluoroborate [(C 4 H 9 ) 4 N][BF 3 Br];(2) were prepared using one-step reactions. The two new ionic liquids were characterized by IR, 1 H-NMR, 13 C-NMR, 81 Br-NMR and 19 F-NMR. The 81 Br chemical shifts were 92, 89 and the 19 F chemical shifts were 113.4, 113.1 for 1 and 2, respectively. Some physical properties such as density and solubility have been measured for these compounds. The densities of 1 and 2 were 1.018 and 1.023, respectively. The compounds were studied computationally at B3LYP/LANL2DZ level of theory. The optimized structures were in good agreement with the available experimental results.
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