Table 2.
First-Order Rate Constants and Eyring Parameters for Rearrangement of Metallacycle 20
| rate constanta | @ 45 ° C (s−1) | @ 55 ° C (s−1) | @ 65 ° C (s−1) | ΔH‡ (kcal/mol) | ΔS‡ (eu) |
|---|---|---|---|---|---|
| k1 | 4.08 × 10−5 | 1.51 × 10−4 | 5.72 × 10−4 | 27.5 | +8 |
| k−1 | 4.28 × 10−5 | 1.62 × 10−4 | 6.17 × 10−4 | 27.8 | +9 |
| k2 | 1.54 × 10−5 | 5.52 × 10−5 | 2.07 × 10−4 | 27.1 | +4 |
| k3 | 6.52 × 10−6 | 2.68 × 10−5 | 1.00 × 10−4 | 28.5 | +7 |
| k4 | 3.00 × 10−6 | 1.06 × 10−5 | 4.20 × 10−5 | 27.5 | +3 |
a
The error in isolated rate constants is estimated to be ±5%, and the error in activation parameters is estimated to be ±1 kcal/mol and ±3 eu.