Table 8. Energies of Reactions (ΔE, in kcal mol–1), Gibbs Free Energies of Reaction (ΔG, in kcal mol–1), Reorganization Energies (λ, in kcal mol–1), Activation Energies (ΔG≠, in kcal mol–1), and Rate Constants (k, M–1 s–1), for the Reactions of the Complexes with the O2•– and Asc– in Water at pH = 7.4.
| O2•– |
Asc– |
||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Species | Forma | Site | ΔE | ΔG | λ | ΔG≠ | k | ΔE | ΔG | λ | ΔG≠ | k | |
| Cu2+(H2O)4 | 8.9 | –21.1 | 39.7 | 2.2 | 3.72 × 109 | 18.0 | –6.3 | 31.7 | 5.1 | 8.28 × 108 | |||
| His– | mono | uni | C11 | 6.4 | –25.4 | 41.0 | 1.5 | 1.40 × 109 | 15.5 | 26.1 | 32.3 | 3.6 | 1.52 × 109 |
| C12 | 6.6 | –25.5 | 41.3 | 1.5 | 1.39 × 109 | 15.7 | –10.7 | 32.6 | 3.7 | 1.50 × 109 | |||
| bi | C11C12 | 2.7 | –31.2 | 43.2 | 0.8 | 1.42 × 109 | 11.8 | –16.5 | 34.6 | 2.4 | 1.73 × 109 | ||
| bis | C11C12 | –3.2 | –28.6 | 34.5 | 0.3 | 1.33 × 109 | 5.9 | –13.8 | 25.6 | 1.4 | 1.60 × 109 | ||
| His2– | bis | C11C12 | 21.3 | –10.0 | 40.3 | 5.7 | 3.04 × 108 | 30.4 | 4.8 | 31.4 | 10.4 | 1.39 × 105 | |
The nomenclature follows standard coordination chemistry conventions.