Magnetic Antiaromaticity─Paratropicity─Does Not Necessarily Imply Instability

Szczegóły
Opis

Tytuł:: Magnetic Antiaromaticity─Paratropicity─Does Not Necessarily Imply Instability
Autorzy:: Foroutan-Nejad, Cina
Współwytwórcy:: Institute of Organic Chemistry, Polish Academy of Sciences
Data publikacji:: 2023
Wydawca:: ACS Publications
Język:: angielski
ISBN, ISSN:: 00223263
15206904
Prawa:: http://creativecommons.org/licenses/by/4.0/
Linki:: https://depot.ceon.pl/handle/123456789/22935 Link otwiera się w nowym oknie
Dostawca treści:: Repozytorium Centrum Otwartej Nauki
: Inne

Przejdź do źródła

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.

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

Informacja

Magnetic Antiaromaticity─Paratropicity─Does Not Necessarily Imply Instability