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 |