Table 4 Absorption wavelength (nm) (Singlet States), Oscillatory strength and transitions for Chla-carotenoid and Chlb-carotenoid complexes with wB97xD/Lanl2dz:6-31G** method by TDDFT in solvent (water) medium.

From: Physicochemical, antioxidant properties of carotenoids and its optoelectronic and interaction studies with chlorophyll pigments

Complexes

λabs

f

Transitions

Complexes

λabs

f

Transitions

Chlaa

440.47

4.3868

H → L + 1 (89%)

Chlba

440.82

3.8688

H → L + 2 (89%)

Chlab

444.36

3.4976

H → L + 1 (89%)

Chlbb

447.34

4.2932

H → L + 2 (87%)

Chlan

433.25

4.4038

H → L + 1 (89%)

Chlbn

554.23

4.7344

H → L + 2 (91%)

Chlap

475.92

2.5918

H → L + 1 (89%)

Chlbp

476.46

2.7656

H → L + 1 (90%)

Chlav

432.85

4.2830

H → L + 1 (89%)

Chlbv

432.91

4.1286

H → L + 2 (91%)

Chlax

444.21

2.8298

H → L (89%)

Chlbx

442.24

4.0839

H → L + 2 (88%)

Chlaz

445.63

4.3302

H → L + 1 (89%)

Chlbz

444.76

4.4578

H → L + 2 (89%)

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