Figure 1.

Molecular design. Chemical structures, energy differences, ∆E _ST (adiabatic), ∆E _TT (vertical), and singlet energy (vertical) of each molecule. The TPA cores are shaded in skyblue. ∆E _ST and the singlet energy were calculated at the SCS‐ADC(2) level, whereas ∆E _TT was calculated at the ω ^∗B97M‐V level. The vertical energies were evaluated for the S₁ geometry.