The calculated ΔG≠ (kcal mol−1), tunneling corrections (κ) and k (M−1 s−1) at 298.15 K in the gas phase.
Reactions | ΔG≠ | κ | k Eck |
---|---|---|---|
4–O41–H + CH3OO˙ | 14.5 | 571.4 | 8.10 × 104 |
5–O41–H + CH3OO˙ | 10.9 | 48.8 | 3.36 × 106 |
11–O41–H + CH3OO˙ | 10.8 | 47.1 | 3.61 × 106 |
Trolox + CH3OO˙ | 10.9 | 63.4 | 4.11 × 106 |