Table 4.
Ionization potentials of the selected conjugated bases of Q, Fl, and Bf, and Gibbs free energies of reaction and activation and rate constants for the electron transfer reaction of HOO. with the selected conjugate bases.
| Conjugate base | IPK (kcal·mol−1) | IPV (kcal·mol−1) | IPA (kcal·mol−1) | ΔG (kcal·mol−1) | ΔG‡, 1M (kcal·mol−1) | kapp (L·mol−1·s−1) |
|---|---|---|---|---|---|---|
| Q-7 | 154.8 | 125.5 | 122.8 | −9.7 | 19.0 | 7.5 × 10−2 |
| Q-4′ | 145.0 | 114.7 | 111.0 | −21.7 | 7.8 | 1.2 × 107 |
| Fl-5 | 162.3 | 129.2 | 124.1 | −8.8 | 19.6 | 2.7 × 10−2 |
| Fl-7 | 166.8 | 144.6 | 138.6 | 7.3 | 41.5 | 2.3 × 10−18 |
| Fl-4′ | 150.8 | 117.1 | 112.7 | −20.3 | 9.1 | 1.4 × 106 |
| Bf-5 | 163.7 | 130.3 | 125.8 | −7.1 | 21.6 | 9.3 × 10−4 |
| Bf-7 | 164.8 | 150.3 | 142.0 | 9.5 | 42.1 | 8.7 × 10−19 |
| Bf-4′ | 154.8 | 122.4 | 118.1 | −14.6 | 13.8 | 4.8 × 102 |