Effect of Molecular Shape on the Properties of Indolo[3,2,1‐jk]carbazole‐Based Compounds.

A concave indolo[3,2,1‐jk]carbazole‐based compound was synthesized and characterized, which was further compared with the property of its planar congener. The results reveal that the change in molecular shape alters the molecular electronic structure, thus leading to the reduced aromaticity and divergent energy levels of frontier molecular orbitals of the concave compound. Moreover, the bowl‐shaped molecule demonstrates a blue‐shift in the UV/Vis absorption and a red‐shift in the weakened fluorescence emission due to the vibration of the concave face. [ABSTRACT FROM AUTHOR]