Table 3. Calculated and experimental a changes in the Gibbs free energy (ΔG0) of reactions 1–3 for the Mn(i), Re(i) and W(0) complexes.
| Metal | X | ΔG0/kJ mol–1 |
||
| Process 1 | Process 2 | Process 3 | ||
| Mn(i) | H | 10.1 | –15.3 | –5.2 |
| (20.9) | (–27.3) | (–6.4) | ||
| Br | 8.9 | –15.0 | –6.1 | |
| (18.2) | (–26.4) | (–8.2) | ||
| OMe | 10.5 | –10.3 | +0.2 | |
| (22.4) | (–28.1) | (–5.7) | ||
| Re(i) | H | –8.0 | –2.6 | –10.6 |
| (6.55) | (–17.6) | (–11.1) | ||
| Br | 7.8 | –25.6 | –17.8 | |
| (5.09) | (–18.0) | (–12.9) | ||
| OMe | 11.2 | –16.7 | –5.5 | |
| (8.67) | (–19.5) | (–10.8) | ||
| W(0) | H | 21.8 | –9.0 | 12.8 |
aValues in parentheses denote the experimental values calculated using ΔG0 = –RT ln K using T = 298 K and K1, K2 and K3.