Table 2.
Gibbs free energies of reaction for the hydrogen atom transfer reaction of HOO. with Q, Fl, and Bf at the phenolic positions.
System | OH position | ΔG (kcal·mol−1) |
---|---|---|
Q | 3 | −4.2 |
5 | 7.9 | |
7 | 7.5 | |
3′ | −1.0 | |
4′ | −4.5 | |
Fl | 2 | 19.6 |
5 | 22.2 | |
7 | 18.6 | |
3′ | −1.0 | |
4′ | −2.3 | |
Bf | 3 | 26.8 |
5 | 24.4 | |
7 | 24.2 | |
3′ | −0.3 | |
4′ | 2.6 |