Table 2. Estimated Ranges for Rate and Equilibrium Constants of the Best Model for Electrochemical Reduction of 1 under N2 Atmospherea.
Parameter | Range | Value |
---|---|---|
K3 (M–1) | 5 × 103–5 × 104 | (1 × 104) |
k3 (M–1 s–1) | >5 × 107 | (5 × 109) |
K4 (M) | 2 × 10–2–2 × 10–3 | (5 × 10–3) |
k4 (s–1) | >5 × 102 | (1 × 105) |
k5 (M–1 s–1) | 4 × 103–1 × 104 | (7 × 103) |
E3 (V) | –1.84 to −1.88 | (−1.86 V) |
The values in parentheses were used to plot the simulation in Figures 8 and Figures S50–S53.