Abstract
AbstractReplacement of the allylic C=C−C unit with a N−B−N unit at each of the three zigzag edges of [4]triangulene gives rise to B3N6‐[4]triangulene, which is envisioned to represent a key structural unit of a new hypothetical boron carbon nitride (BC4N). A tert‐butylated B3N6‐[4]triangulene has been successfully synthesized by three‐fold nitrogen‐directed borylation, and the X‐ray crystallographic analysis indicates that its slightly bent triangular polycyclic framework can be viewed as a 1,3,5‐triphenylbenzene connected by three 4π‐electron N−B−N units. The HN−B−NH moiety provides a dual hydrogen‐bond donor, which forms H‐bonds with halide or carboxylate anions in solution, and form DD‐AA hydrogen‐bond arrays with 2,7‐di(tert‐butyl)‐pyrene‐4,5,9,10‐tetraone in the co‐crystal. Moreover, the blue fluorescence of B3N6‐[4]triangulene in solution is responsive to binding p‐nitrobenzoate anion through hydrogen bonds.
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