Arias-Olivares, , DavidBecerra-Buitrago, , AndrésGarcía-Sánchez, , Luis CarlosIslas, , Rafael2022-05-142022-05-142021-04ACS OmegaOpen AccessVolume 6, Issue 14, Pages 9887 - 989713 April 202124701343https://repositorio.unab.cl/xmlui/handle/ria/22535In the current work, some metallabenzenes with one and several fused rings were analyzed in terms of their electronic delocalization. These fused-ring metallabenzenes are known as metallabenzenoids, and their aromatic character is not free of controversy. The systems of the current work were designed from crystallographic data of some synthesized molecules, and their electronic delocalization (aromaticity) was computationally examined in terms of the molecular orbital analysis (Hückel's rule), the induced magnetic field, and ring currents. The computational evidence allows us to understand if these molecules are or are not aromatic compounds. © 2021 American Chemical Society. Reaxys Chemistry database informationLearn about Reaxys chemistry database informationenArtículo