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Cycloarenes are polycyclic aromatic hydrocarbons formed by circularly fused benzene rings, which provide a potential cavity trap for metal ions. These polycyclic aromatics have been the focus of several studies due to their superaromaticity, magnetic and other electronic and geometric properties. The first representative of these macrocyclic conjugated compounds is kekulene, a doughnut-shaped structure consisting of cyclically arranged benzene rings with intriguing structural features that are suitable for theoretical studies including the study of conjugation circuits of π electrons. Topological characterization of such structures is thus essential for the prediction of their properties. In this study, we present two novel series of giant polycyclic compounds that are generated through tessellations of several kekulene doughnuts providing a potential molecular belt with multiple cavities. We have computed a number of topological quantity indices for such a 2D-sheet comprising of several kekulenes. [ABSTRACT FROM AUTHOR]

Correction to: Theoretical Chemistry Accounts (2021) 140:43 https://doi.org/10.1007/s00214-02... In the original publication of this article, the links to Google scholar were missing for the references [60, 65, 66, 70 and 71] and hence they were not redirected to appropriate articles on the Springer website. The original article can be found online at https://doi.org/10.1007/s00214-021-02733-0. [Extracted from the article]