Pure Organic Hexagonal–Channels Constructed by C–I···–O–N+ Halogen Bond and π–Hole···π Bond under Mediation of Guest

The pure organic hexagonal–channel host is first assembled by 1,4-diiodotetrafluorobenzene and 4-phenylpyridine N-oxide under mediation of linear guest molecules using robust C–I···–O–N+ halogen bond, π–hole···π bond, and weak hydrogen bonds. The guest molecules dwell in the host by parallel–offset π–π stacking and interact with host by weak C–H···π hydrogen bonds to stabilize the host–guest structure. The as-prepared host–guest cocrystals exhibit different photoluminescence colors at room temperature, bright cyan, sapphire blue, and pink, respectively, originating mainly from the guest molecules. It is expected that the synergistic host–guest assembly and its photoluminescence behavior should be significant in fabricating smart photomolecular devices in future.