Br···π Halogen Bond Assisted Self-Assembly of Asymmetric Molecule Regulated by Concentration

Two-dimensional (2D) self-assembly behaviors of an asymmetric thienophenanthrene derivative (M1) has been theoretically predicted and further probed by STM. The barely exploited Br··· π halogen bond plays an assisted role in the structural formation, and shows a strong cooperative effect with the C−H···Br bond. Such a π-type halogen bond assisted self-assembly reveals self-adaption property, which is of great interest in flexible light-emitted devices and self-healing materials.