Fig. 4.

Absorption spectra simulated via the three-state vibronic model. Absorption spectra simulated via the three-state vibronic model for the ${\overrightarrow{\mathbf{R}}}_{\mathrm{ET}}∕∕{\overrightarrow{\mathbf{\mu }}}_{\mathrm{l}}$ configuration, when the electric field of the light is parallel to the transition dipole of the LE state (γ = 0°), in the case where the $\mathrm{\Delta }{E}_{\mathrm{LE}-{\mathrm{D}}^{+}{\mathrm{A}}^{-}}=0.2\mathrm{eV}$ (1613 cm⁻¹). The regions filled in gray and orange correspond to the D⁺A⁻ and LE absorption bands, respectively, as derived from a two-state vibronic model (i.e., in the absence of any $t_{{\mathrm{D}}^{+}{\mathrm{A}}^{-}-\mathrm{LE}}$ coupling). The solid and dashed lines correspond to the simulated absorption spectra in the cases where θ = 0° and 180° (see Supplementary Fig. 6), respectively