Table 2. Calculated TONs and TOFs for Complexes 2, 4, 11, and 12 for the Catalytic Oxidation of NADH to NAD+ Monitored via UV–Visible Spectroscopy at Various Concentrations of NADH (69, 103, and 146 μM) with a Fixed Complex Concentration of 2.5 μM over a 24 h Period in 0.5% MeOH/99.5% H2O at 310 K in 5 mM Na2HPO4/NaH2PO4 Buffer, pH 7.5a.
| complex | NADH conc (μM) | TON (24 h) | TOF (h–1)b |
|---|---|---|---|
| [(η5-Cp*)Ir(2-(4′-fluorophenyl)pyridine)Cl], 2 | 69 | 11 | 0.6 |
| 103 | 19 | 1.1 | |
| 146 | 22 | 1.2 | |
| [(η5-Cp*)Ir(2-phenyl-5-fluoropyridine)Cl], 4 | 69 | 13 | 0.7 |
| 103 | 20 | 1.2 | |
| 146 | 22 | 1.1 | |
| [(η5-Cp*)Ir(2-(4′-hydroxyphenyl)pyridine)Cl], 11 | 69 | 14 | 1.9 |
| 103 | 21 | 2.6 | |
| 146 | 28 | 3.2 | |
| [(η5-Cp*)Ir(2-phenyl-5-hydroxypyridine)Cl], 12 | 69 | 13 | 1.4 |
| 103 | 15 | 1.8 | |
| 146 | 22 | 2.6 |
The conversion of NADH to NAD+ was followed from the absorption at 339 nm.
TOFs were calculated as the gradient of time vs TON during the first 2 h of the reaction time.