Table 4.
Width of the distribution of the energy gap ΔU, directly via Eq. 3 (W) or via the width a of a Gaussian fit function, Eq. 4. All values in kJ/mol
| Nonpol. FF | Pol. FF | ||||
|---|---|---|---|---|---|
| σ | W | σ | W | ||
| MQ H2O | 11.9 | 11.8 | 12.5 | 12.5 | |
| 12.8 | 12.6 | 13.4 | 13.6 | ||
| MQ MeOH | 11.8 | 11.5 | 11.9 | 11.8 | |
| 10.7 | 10.8 | 13.3 | 12.9 | ||
| MQ EmimOTf | 12.8 | 12.8 | 12.3 | 12.3 | |
| 12.8 | 12.9 | 13.0 | 13.1 | ||
| C153 MeOH | 10.0 | 10.0 | 10.0 | 10.0 | |
| 9.9 | 9.8 | 10.3 | 10.3 | ||
| C153 EmimOTf | 14.1 | 14.0 | 14.5 | 14.5 | |
| 14.1 | 13.9 | 14.1 | 14.2 | ||