Table 5. The reaction energy barriers (ΔG≠) for the reactions of PIC and ISO scavenging ·OH, ·OOH, NO and NO2 in water solution (in kJ/mol).
PIC | ISO | |||
---|---|---|---|---|
radical | major channel | ΔG≠ | major channel | ΔG≠ |
·OH | A4 | -58.86 | A'4 | -56.45 |
·OOH | A5 | 30.36 | A'5 | 15.70 |
NO | C21 | 70.15 | C'21 | 64.73 |
NO2 | A4 | -113.27 | B'3 | -21.08 |