Table 1. Crystal and Catalysis Data for Ru-tds and Other State-of-the-art Reference Catalysts.
| Ru-tds | Grotjahn-Cat45 | Ru-tpa(30) | Ru-tda(29) | Ru-bda(47) | Ru-bds(44) | ||
|---|---|---|---|---|---|---|---|
| Ru–O (Å)a | 2.35 | 2.18 | 2.19 | 2.14–2.20 | 2.17–2.21 | 2.19–2.21 | |
| O–Ru–O(N) (°)a | 124.3 | 114.6 | 122.4 | 123.0 | 114.7–115.1 | ||
| onset potential (V)b | 1.76 | 2.02 | 1.76 | 1.70–1.80 | 1.55 | 1.65 | |
| overpotential (V)b | 0.62 | 0.80 | 0.69 | 0.64 | 0.21/0.67 | 0.62 | |
| TOF (s–1) | method Ac | 2239 ± 311 | |||||
| method Bd | 3242 | 2598 | |||||
| method Ce | 4195 | 300 | 12 900 | ||||
| TOFmax (s–1)f | 12 000 | 16 000 | 8000 | ||||
| mechanismg | WNA | WNA | WNA | WNA | I2M | I2M | |
Data for bond length and angle extracted from their crystal structures.
Values of onset potential vs RHE extracted from their CVs at pH 7; values of overpotential (Ecat/2) extracted from their CVs at pH 7 according to the suggested method in the literature,49 and the two values for Ru-bda are extracted from two “catalytic plateau,” respectively.44,50
TOF stands for turnover frequency, values extracted from their CVs at pH 7 according to eq 3 in the Supporting Information.
Values estimated according to eq 2 in the Supporting Information and the reference (45) at a scan rate of 0.01 V s–1 at pH 7.
Values estimated according to eq 4 in the Supporting Information and the reference (44) at a scan rate of 0.1 V s–1 at pH 7.
TOFmax stands for turnover frequency maximum that was estimated by the foot of the wave analysis29 at pH 7 (for details, see Figure S14). For Ru-tpa and Ru-tda, the values were calculated after catalyst activation.
WNA stands for water nucleophilic attack, and I2M stands for interaction of two metal-oxo.