@article{4313ec4f1b5d46be95df204a51b1edba,
title = "Delocalization in Substituted Benzene Dications: A Magnetic Point of View",
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.",
keywords = "aromaticity, electron delocalization, hypervalency, magnetic responses, σ-aromaticity",
author = "Mes{\'i}as Orozco-Ic and Jorge Barroso and Rafael Islas and Gabriel Merino",
note = "Funding Information: The work in Chile is funded by Fondecyt (Grant Fondecyt 1201436). M.O.-I. and J.B. thank Conacyt for their PhD fellowship. Funding Information: The work in Chile is funded by Fondecyt (Grant Fondecyt 1201436 ). M.O.‐I. and J.B. thank Conacyt for their PhD fellowship. Publisher Copyright: {\textcopyright} 2020 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.",
year = "2020",
month = jun,
day = "1",
doi = "10.1002/open.202000105",
language = "English",
volume = "9",
pages = "657--661",
journal = "ChemistryOpen",
issn = "2191-1363",
publisher = "John Wiley and Sons Inc.",
number = "6",
}