A comparison of the kinetic parameters (Eα, g(α), and Aα) and thermodynamic parameters (ΔS, ΔH, and ΔG) for Step 4, 5, and 6 observed for the thermal decomposition of FO11 and ferrocene carboxaldehyde (FcCHO).
| Parameters | Material | Step 4 | Step 5 | Step 6 |
|---|---|---|---|---|
| Steps (K) | FO11 | 439–515 | 440–568 | 515–625 |
| FcCHOa | 472–512 | 452–641 | 585–678 | |
| E α (kJ mol−1) | FO11 | 52–67 | 82–137 | 128–209 |
| FcCHOa | 40–81 | 45 – 105 | 165 – 235 | |
| g(α)b | FO11 | [−ln (1 − α)]1/2, A2 | [−ln (1 − α)]2/3, A3/2 | [−ln (1 − α)]2/3, F3/2 |
| FcCHOa | [−ln (1 − α)]1/3, A3 | [−ln (1 − α)]2/3, A3/2 | 1 − (1 − α)1/2, R2/F1/2 | |
| A α at α = 0.5 (min−1) | FO11 | 8.4 × 104 | 3.8 × 109 | 2.1 × 1016 |
| FcCHOa | 2.3 × 105 | 9.2 × 105 | 4.5 × 1013 | |
| Av. ΔS (J mol−1 K−1) | FO11 | −154.8 | −74.4 | 36.6 |
| FcCHOa | −150.6 | −126.8 | −15.3 | |
| Av. ΔH (kJ mol−1) | FO11 | 52.9 | 101.3 | 175.0 |
| FcCHOa | 58.7 | 83.3 | 181.6 | |
| Av. ΔG (kJ mol−1) | FO11 | 128.4 | 141.9 | 154.1 |
| FcCHOa | 137.6 | 162.6 | 191.8 |
25.
For symbols used, refer to Table S1.