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. Author manuscript; available in PMC: 2021 Oct 13.
Published in final edited form as: Org Biomol Chem. 2021 Mar 4;19(8):1835–1846. doi: 10.1039/d0ob02313b

Figure 6.

Figure 6.

Charge transfer excitations correspond to either [HOMO] → [LUMO] or [HOMO-1] → [LUMO] electronic transitions shown for fluorophore 10. The [HOMO] → [LUMO+1] give a charge-separated-like (“CS-like”) character. The natural orbitals were calculated at HF/6–311G level of theory.