. 2021 Sep 22;11(50):31260–31271. doi: 10.1039/d1ra04611j

Calculated maximum absorption wavelengths λ_max,calc (nm), oscillator strengths (f), excitation energy (E_excit, eV), % of contribution, assignment, and experimental λ_max,exp (nm) of 4a, 4b, and 5a–5f compounds calculated at PBE0/aug-cc-pVTZ level of theory.

E _exc = 319–323 nm in different organic solvents in ref. 32.

In ref. 23.

Calculated maximum absorption wavelengths λmax,calc (nm), oscillator strengths (f), excitation energy (Eexcit, eV), % of contribution, assignment, and experimental λmax,exp (nm) of 4a, 4b, and 5a–5f compounds calculated at PBE0/aug-cc-pVTZ level of theory.