Cooperative Self-Assembly of Carbazole Derivatives Driven by Multiple Dipole–Dipole Interactions

Carbazole
possessing phenylisoxazoles self-assembled in a cooperative
manner in decalin. X-ray crystal structure analysis revealed that
the isoxazole dipoles align in a head-to-tail fashion. DFT calculations
suggested that the linear array of dipoles induced the polarization
of each dipole, leading to an increase in dipole–dipole interactions.
This dipole polarization resulted in cooperative assembly.