Table 4.
Flavonoids ordered by HOMO and LUMO energy values for the reduced form and the corresponding radical form. Based on [109].
| Compound | FOH | FO• | ||
|---|---|---|---|---|
| HOMO (kcal/mol) | LUMO (kcal/mol) | HOMO (kcal/mol) | LUMO (kcal/mol) | |
| Kaempferol | −127.573 | −41.7921 | −15.7003 | 44.7226 |
| Quercetin | −126.192 | −41.4784 | −15.1795 | 44.6096 |
| Myricectin | −125.941 | −42.2314 | −16.0078 | 44.1516 |
| Chrysin | −138.366 | −44.8042 | −20.5258 | 43.3170 |
| Apigenin | −135.793 | −40.8509 | −6.8148 | 39.4954 |
RH: HOMO = −153.9155, LUMO = 73.3057 R• HOMO: −38.7110, LUMO: 16.6353.