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Norcorrole as a Delocalized, Antiaromatic System

Permanent link
https://hdl.handle.net/10037/16293
DOI
https://doi.org/10.1038/s41598-019-39972-y
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Date
2019-03-19
Type
Journal article
Tidsskriftartikkel
Peer reviewed

Author
Conradie, Jeanet; Foroutan-Nejad, Cina; Ghosh, Abhik
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.
Description
Source at https://doi.org/10.1038/s41598-019-39972-y.
Publisher
Nature Research
Citation
Conradie, J., Foroutan-Nejad, C., Ghosh, A. (2019). Norcorrole as a Delocalized, Antiaromatic System. Scientific Reports, 9:4852. https://doi.org/10.1038/s41598-019-39972-y
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