Norcorrole as a Delocalized, Antiaromatic System.
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ABSTRACT:
SUBMITTER: Conradie J
PROVIDER: S-EPMC6425022 | biostudies-literature | 2019 Mar
REPOSITORIES: biostudies-literature
Publications
Norcorrole as a Delocalized, Antiaromatic System.
Conradie Jeanet J Foroutan-Nejad Cina C Ghosh Abhik A
Scientific reports 20190319 1
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 C<sub>meso</sub>-C<sub>α</sub> 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 ...[more]
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