Charge‐Segregated Ion‐Pairing Assemblies Comprising Dipolar π‐Electronic Cations

This is the authors' abstract. We don't add key points for this paper.

Two pentamethine dyes with nearly identical structures but slightly different dipole moments were prepared as ion pairs. The ion pairs provided charge-segregated assemblies stabilized by dipole-dipole interactions between the positively charged π-electronic systems. The stacking structure of the bromo-substituted pentamethine cation was more stabilized by a larger dipole moment, as suggested by energy decomposition analysis. Depending on the packing arrangements, highly electric conductive properties were observed owing to charge-segregated structures, as also correlated with the theoretically estimated transfer integrals.