Table 3. Summary of activation enthalpy (ΔH‡), entropy (ΔS‡), and free energy (ΔG‡) for phosphorus inversion of diarylphosphine-fused porphyrins.
Compound | ΔH‡ (kcal mol–1) | ΔS‡ (cal (K–1 mol–1)) | ΔG‡298 (kcal mol–1) | ΔG‡203 (kcal mol–1) |
6 a | 14.3 | 1.7 | 13.8 | 14.0 |
10Ni a | 12.7 | –0.9 | 13.0 | 12.9 |
10Pd b | 10.2 | –0.5 | 10.3 | 10.3 |
11 b | 9.1 | –10.4 | 12.2 | 11.2 |
12 a | 12.0 | –3.3 | 13.0 | 12.7 |
13 a | 12.8 | –2.1 | 13.4 | 13.2 |
14 b | — | — | — | 9.2 |
15 b | — | — | — | 8.7 |
aIn CDCl3.
bIn CD2Cl2.