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. 2023 Dec 1;13(50):34972–34986. doi: 10.1039/d3ra07045j

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
a

25.

b

For symbols used, refer to Table S1.