Table 5.
Averaged number of chemical species (IL+, AcO−, and DMSO) inside the first solvation shell of SF crystal for both simulations a.
| IL | IL Cation | Acetate Ion | DMSO Molecules |
|---|---|---|---|
| BuMeImAcO | 48 (0.29) | 32 (0.19) | 88 (0.52) |
| AlBzMe2NAcO | 40 (0.28) | 25 (0.18) | 77 (0.54) |
a—The average number of species is within the first solvation layer of SF located at 0.367 nm, as shown in Figure S2. The numbers within brackets refer to the composition of the solvation layer, which is expressed in the mole fraction scale.