Table 3. Fitted Parameters of Temperature Dependence of ET Rate at Each Fixed Driving Force Value.
| ΔG0 (kcal·mol–1) |
ΔH0 (kcal·mol–1) |
–TΔS0a (kcal·mol–1) |
λ (kcal·mol–1) | enthalpic
component
of λ (kcal·mol–1) |
entropic component
of λa (kcal·mol–1) |
χ2 b |
|---|---|---|---|---|---|---|
| 0c | –22.6 | 22.6 | 58.7 | 58.7 | 0c | 1.27 |
| 5c | –15.6 | 20.6 | 48.4 | 48.4 | 0c | 1.27 |
| 10c | –8.0 | 18.0 | 36.5 | 36.5 | 0c | 1.27 |
| 0c | 0c | 0c | 52.6 | 14.3 | 38.3 | 1.26 |
| 5c | 5c | 0c | 42.3 | 3.4 | 38.9 | 1.26 |
| 10c | 10c | 0c | 30.0 | –13.0 | 43.0 | 1.27 |
a
–TΔS0 and entropic component of λ are calculated using T = 298 K.
b
χ2 is the goodness of fit, defined as χ2 = ∑((O – E)2/σ2), where, for each data point, O is the observed value, E is the predicted value from the fitting, and σ is the error. HAB(r) is estimated as 0.011 kcal·mol–1.
c
These terms are fixed in the fitting.