Skip to main content
. 2019 Apr 23;10(20):5405–5422. doi: 10.1039/c9sc00793h

Fig. 2. DFT (CAM-B3LYP/6-31G(d))-calculated relevant orbitals for 1 and 5. Hydrogen atoms are omitted for clarity. Surface isovalue: ± 0.03 [ea0–3]1/2. Orbital energy differences are not direct approximations of excitation energies. They are provided here for comparison between the compounds.

Fig. 2