Excited

State

∆E (eV)

λ (nm)

f (a.u.)

Transition

Composition (%)

Catechin

First

4.7453

261.28

0.0032

HOMO → LUMO + 1

54.03

Second

4.7851

259.11

0.0902

HOMO → LUMO

60.56

Third

4.8871

253.70

0.0081

HOMO−1 → LUMO

50.35

Epicatechin

First

4.7355

261.82

0.0479

HOMO → LUMO

61.19

Second

4.7650

260.20

0.0087

HOMO → LUMO + 1

44.24

Third

4.8607

255.08

0.0269

HOMO−1 → LUMO

47.40