Fig. 3: Influence of the linker length (K (CH2)4, O (CH2)3, B (CH2)2, and X CH2) in the interchromophore distance and transition dipole moment orientation and its observation in CD and UV–Vis spectra for the (i, i + 4) repetition pattern.

Exo-helical radii (r), interchromophore distance (d), and transition dipolar moment deviation angles (β1 and β2) represented in the MD simulation averaged structure output of 4KNBD (A), 4ONBD (B), 4BNBD (C), and 4XNBD (D). Interchromophore distance (d) (E), root mean square of the β1 and β2 standard deviations (RMSσβ) (F), wavelength for NBD S0 → S1 transition maxima in UV–Vis (G), and CD NBD exciton coupling intensity at 485 nm (H) versus linker length. CD maxima expressed in deg × cm2 × dmol−1.