Table 2.
Hydroxyl group | OH-3 | OH-5 | OH-7 | OH-3′ | OH-4′ | |
---|---|---|---|---|---|---|
Naringenin | Bond dissociation energy | – | − 365,59 | − 352,19 | – | − 333,35 |
Total net excess charge | – | − 0.317 | − 0.355 | – | − 0.372 | |
Quercetin | Bond dissociation energy | − 309,15 | − 367,35 | − 355,63 | − 316,69 | − 539,42 |
Total net excess charge | − 0.344 | − 0.311 | − 0.353 | − 0.392 | − 0.338 | |
Catechin | Bond dissociation energy | − 435,34 | − 435,76 | − 334,85 | − 317,27 | − 313,93 |
Total net excess charge | − 0.33 | − 0.361 | − 0.37 | − 0.345 | − 0.346 |