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Updated: Dec 19, 2025

Isolating Free Carbenes, their Mixed Dimers and Organic Radicals
Published on: April 19, 2019
Delocalization in Substituted Benzene Dications: A Magnetic Point of View
Mesías Orozco-Ic1, Jorge Barroso1, Rafael Islas2
1Departamento de Física Aplicada Centro de Investigación y de Estudios Avanzados Unidad Mérida. Km 6 Antigua Carretera a Progreso. Apdo. Postal 73, Cordemex 97310 Mérida, Yuc. México.
Abstract:
In this work, the induced magnetic field is analyzed for a series of substituted benzenes dications with formula C6R62+ (R=I, At, SeH, SeCH3, TeH, TeCH3), presumably exhibiting concentric aromaticity. Previous studies concluded that in the carbon skeleton, just π-electrons are delocalized. However, our results support that both the σ- and π-electrons are delocalized in the carbon skeleton, combined with a σ-delocalization in the external ring. The role of the relativistic effects in these dications is discussed in detail.
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