Table 2. Calculated ΔG⧧ (kcal/mol), κ, and kEck (M–1 s–1) for the HOO• Scavenging of the ANQs in the Gas Phase.
reaction | ΔH | ΔG⧧ | κ | kEck |
---|---|---|---|---|
1–O3–H + HOO• | 7.7 | 18.0 | 39.5 | 1.63 × 101 |
2–O2–H + HOO• | 9.1 | 19.1 | 48.5 | 3.13 |
3–C2–H + HOO• | 8.8 | 18.2 | 84.8 | 2.23 × 101 |
4–C2–H + HOO• | 8.4 | 17.9 | 50.6 | 2.47 × 101 |
5–O2–H + HOO• | 7.0 | 17.4 | 61.3 | 6.63 × 101 |
6–C2–H + HOO• | 7.2 | 17.1 | 30.8 | 5.24 × 101 |