Abstract
The computational method is described and the results of calculations of various characteristics of the ground and excited states of tropone, azulene, and 42 molecules belonging to 24 types of heterocyclic systems containing planar conjugated cyclic fragments with seven π electrons are presented. The results are compared with the experimental characteristics, including data on the photochemistry of the investigated molecules. Several features of mesoionic systems that distinguish them from ordinary heterocycles are revealed.
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