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Norcorrole as a Delocalized, Antiaromatic System

Article scientifique 2019 Anglais

Résumé

Abstract Nickel norcorrole provides an unusual example of a molecule that is strongly antiaromatic according to the magnetic criterion, but which exhibits, according to high-quality DFT calculations, a symmetric, delocalized structure with no difference in bond length between adjacent Cmeso-Cα bonds. A fragment molecular orbital analysis suggests that these discordant observations are a manifestation of the high stability of the dipyrrin fragments, which retain their electronic and structural integrity even as part of the norcorrole ring system.

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Conradie, J., Foroutan‐Nejad, C., Ghosh, A. (2019). Norcorrole as a Delocalized, Antiaromatic System. https://doi.org/10.1038/s41598-019-39972-y

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Auteur(s)

Jeanet Conradie Cina Foroutan‐Nejad Abhik Ghosh

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