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. 2023 Jun 26;3(7):1918–1930. doi: 10.1021/jacsau.3c00169

Figure 4.

Figure 4

Jablonski energy diagram for 6-BgCoum, 7-BgCoum, 8-BgCoum, and 9-BgCoum planar Cs structures and respective Sn–S0 density difference maps computed at MP2/ADC(2)/cc-pVDZ level of theory. Solid lines represent vertical excitation/emission energies of a given state computed at the respective ground/excited state minimum. The dashed black line represents vertical energy of the ground state computed at the optimized geometry of the respective compound. Numbers denote relevant energy in eV.