Species

Method TD-DFT/PCM lmax [nm]

Oscillator Strength

Energies and Oscillator Strengths

Experimental

Reported [1] lmax [nm]

Indigo

508.51

0.4369

148 149 Singlet

(HOMO®LUMO)

591

282.51

1.0137

147 149 Singlet

(HOMO-1®LUMO)

146 149 Singlet

(HOMO-2®LUMO)

145 149 Singlet

(HOMO-3®LUMO)

144 149 Singlet

(HOMO-4®LUMO)

320

251.32

0.5974

144 149 Singlet

(HOMO®LUMO)

148 151 Singlet

(HOMO®LUMO + 2)

250