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. 2017 Oct 6;8(12):8231–8239. doi: 10.1039/c7sc03882h

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.