Table 6.
Flavonoid | Reorganization Enthalpies | Hydrogen Abstraction Enthalpies | |||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
C2’ | C3’ | C4’ | C5’ | C3 | C5 | C7 | C2’ | C3’ | C4’ | C5’ | C3 | C5 | C7 | ||
Flavones | Acacetin | −8.7 | −5.1 | 93.5 | 86.0 | ||||||||||
Apigenin | −6.7 | −7.1 | −5.0 | 82.6 | 93.5 | 86.7 | |||||||||
Chrysin | −8.6 | −5.6 | 93.5 | 87.2 | |||||||||||
Chrysoeriol | −7.7 | −2.4 | −5.2 | 79.3 | 104.3 | 86.5 | |||||||||
Diosmetin | −7.2 | −2.4 | −5.4 | 80.6 | 104.4 | 86.6 | |||||||||
Genkwanin | −6.3 | −8.5 | 82.4 | 93.7 | |||||||||||
Luteolin | −7.0 | −8.6 | −1.7 | −5.0 | 81.2 | 75.9 | 104.4 | 86.8 | |||||||
Flavonols | Fisetin | −7.5 | −7.8 | −9.1 | −5.9 | 75.9 | 77.3 | 77.6 | 84.4 | ||||||
Galangin | −8.6 | −8.4 | −5.8 | 78.3 | 90.1 | 85.9 | |||||||||
Kaempferol | −6.9 | −8.7 | −8.5 | −5.5 | 79.8 | 76.8 | 89.8 | 84.8 | |||||||
Morin | −8.4 | −6.2 | −12.6 | −9.1 | −5.3 | 85.0 | 82.6 | 72.1 | 90.0 | 86.1 | |||||
Myricetin | −6.8 | −8.3 | −7.2 | −9.4 | −8.5 | −6.0 | 80.7 | 72.4 | 77.1 | 76.7 | 89.8 | 85.0 | |||
Quercetin | −7.0 | −8.0 | −8.8 | −8.7 | −5.6 | 80.4 | 73.4 | 76.7 | 89.3 | 84.9 |
The numbers in bold typeface indicate the lowest value for a given compound.