BN-Embedded V-Shaped Polycyclic Aromatic Hydrocarbons Exhibiting Tunable Molecular Packing and Supramolecular Interactions

Three novel BN-embedded V-shaped polycyclic aromatic hydrocarbons with different π-conjugation lengths were designed and successfully synthesized. Their single-crystal structures were confirmed by X-ray crystallographic analysis, and it is found that the molecular stacking structure can be effectively tuned by extending the length of π conjugation. Meanwhile, owing to the unique V-shaped molecular geometry, they exhibit moderate host-guest supramolecular interactions with both fullerenes C60 and C70.