Aromaticity of Heterocirculenes

This review summarizes the results on aromaticity of a series synthesized and hypothetical neutral heterocirculene molecules their double charged ions. The heterocirculenes is direct reflection electronic structure responsible for specific optoelectronic photophysical properties. We show how presence heteroatom in outer macrocycle affects hetero[8]circulenes. In addition, we also describe change strain energy “lower” (n < 8) “higher” > hetero[n]circulenes. It was demonstrated that loss planarity with increased leads to an antiaromaticity lower hetero[n]circulenes, whereas higher hetero[n]circulenes demonstrate more pronounced aromatic nature because small departure from each heteroarene ring hetero[n]circulene molecule. Finally, discuss first examples ?-extended