Revised Supplementary Material

The schematic molecule structures (Fig. S1), ground- and excited-state relaxation parameters (Table S1), detailed absorption spectra and analysis (Fig. S2), energy level scheme and deactivation paths (Fig. S3), the optimized structure (Fig. S4-6), DOS graphs (Fig. S7-12), molecular orbital diagrams (Fig. S13), energy level scheme (Fig. S14), the calculated structural and electronic parameters as well as excitation characteristics (Table S2-7), hole-electron distribution calculated at PBE0/SDD/def2-tzvp level (Fig. S15), introduction and comparison of the hole-electron analysis and the natural transition orbital (NTO) analysis (Fig. S16-27) and transition density matrix map (Fig. S28-32) of six corroles.