Figure 3.
Calculations of the resonant electronic coupling J based on the point-dipole (shown in green) and extended-dipole (shown in blue) models. In the top row, J is plotted as a function of the twist angle ϕAB for tilt θAB = 0° (A), 60° (B), and 100° (C), and in the bottom row as a function of θAB for ϕAB = 0° (D), 60° (E), and 100° (F). In these calculations, we have used the following values for the transition dipole moment μeg = 12.8 D, the extension length l = 7 Å, the transition charge q = 0.38e, and the inter-chromophore separation RAB = 5 ± 0.3 Å. The error bars in J correspond to the upper and lower values adopted for RAB = 5 ± 0.3 Å.