Table 2.
| Construct |
k1 (10−3 s−1) |
k2 (10−3 s−1) |
F0 (a.u.) |
F1 (a.u.) |
F2 (a.u.) |
Eac (kJ/mol) |
ln A | ΔS‡d (J/mol-K) |
|---|---|---|---|---|---|---|---|---|
| HFPdm | 54.9(0.3) | 4.9(0.2) | 0.5(0.1) | 19.6(0.3) | 19.8(0.1) | 40.6(3.4) | 13.2(1.2) | −152 |
| HFPtr | 139(3) | 17.3(0.3) | 0.9(0.2) | 50.1(0.2) | 50.0(0.2) | 25.8(1.2) | 8.0(0.8) | −195 |
| HFPte | 185(7) | 20.7(0.3) | 0.9(0.3) | 49.8(0.3) | 50.1(0.2) | 20.1(0.7) | 6.2(0.5) | −210 |
Fitting uncertainties are given in parentheses. The variation of a parameter value from fitting data of different runs was less than the fitting uncertainty of a single run.
The k1, k2, F0, F1 and F2 were obtained using Eq. 2 in the main text.
Ea and ln A were calculated using ln k1 = ln A – Ea/RT and k1 values from temperatures between 25 and 40 °C.
ΔS‡ was calculated using ΔS‡ = R × [ln (Ah/kBT) – 2].