Catalysis of Organic..

Angueira and White 275F igure 4 – c: 2.50 ppm(239.8) Figure 4 – d: 15.4 ppm(2 46.7)Figure 4 – e: 14.4 ppm(243)Figure 4 – f: 2.6 ppm(239.9)Figure 4. Models of IL’s showing optimized positions of HCl sited in the structuresand the calculated 1 H-NMR chemical shifts from TMS along with 13 C-NMR chemicalshifts observed in 2- 13 C-Acetone in IL reported in parenthesesThe 27 Al-NMR of the IL’s derived from [RMIMCl][Al 2 Cl 6 ] showed systematicchanges in the shapes of the spectra as the chain length of R increased. The NMRspectra for IL’s derived from ethyl- and dodecyl-MIM + are shown in Fig. 5. Verticallines show the chemical shifts of the two, dinuclear species [AlCl 3 -AlCl 4 ] - at 98.2ppm and [Al 2 Cl 7 ] - at 102.2 ppm. These spectra and the others were deconvoluted todetermine the mole fractions of these two Al-containing species (Table 2). Theobserved rate constants are included in the same table for toluene carbonylation overthese same IL’s at room temperature.