Magnetic Antiaromaticity─Paratropicity─Does Not Necessarily Imply Instability
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| dc.contributor.author | Foroutan-Nejad, Cina | |
|---|---|---|
| dc.contributor.organization | Institute of Organic Chemistry, Polish Academy of Sciences | en |
| dc.date.accessioned | 2023-10-11T15:02:38Z | |
| dc.date.available | 2023-10-11T15:02:38Z | |
| dc.date.issued | 2023 | |
| dc.description.abstract | Magnetically induced ring currents are a conventional tool for the characterization of aromaticity. Dia- and paratropic currents are thought to be associated with stabilization (aromaticity) and destabilization (antiaromaticity), respectively. In the present work, I have questioned the validity of the paratropic currents as a measure of antiaromaticity among monocyclic hydrocarbons. I have shown that while reduced/oxidized radical ions of hydrocarbons sustain strong paratropic currents, they often gain extra stabilization via cyclic conjugation compared to their acyclic counterparts. | en |
| dc.description.sponsorship | National Science Centre,Poland 2020/39/B/ST4/02022 ; Poland’s High-Performance Computing Infrastructure PLGrid (HPC Centers: ACK Cyfronet AGH) grant no.PLG/2022/016057 | |
| dc.identifier.citation | J. Org. Chem. 2023 ; https://doi.org/10.1021/acs.joc.3c01807 | en |
| dc.identifier.doi | 10.1021/acs.joc.3c01807 | |
| dc.identifier.issn | 0022-3263 | |
| dc.identifier.issn | 1520-6904 | |
| dc.identifier.uri | https://open.icm.edu.pl/handle/123456789/22935 | |
| dc.language.iso | en | |
| dc.publisher | ACS Publications | en |
| dc.rights | Uznanie autorstwa 4.0 Międzynarodowe | * |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | * |
| dc.title | Magnetic Antiaromaticity─Paratropicity─Does Not Necessarily Imply Instability | en |
| dc.type | article | en |
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