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Magnetic Antiaromaticity─Paratropicity─Does Not Necessarily Imply Instability
The Journal of Organic Chemistry ( IF 3.3 ) Pub Date : 2023-09-29 , DOI: 10.1021/acs.joc.3c01807
Cina Foroutan-Nejad 1
The Journal of Organic Chemistry ( IF 3.3 ) Pub Date : 2023-09-29 , DOI: 10.1021/acs.joc.3c01807
Cina Foroutan-Nejad 1
Affiliation
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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.
中文翻译:
磁性反芳香性─对位性─并不一定意味着不稳定
磁感应环电流是表征芳香性的传统工具。逆向流和顺向流被认为分别与稳定(芳香性)和不稳定(反芳香性)相关。在目前的工作中,我质疑顺热带流作为单环烃中反芳香性度量的有效性。我已经证明,虽然碳氢化合物的还原/氧化自由基离子维持着强大的顺向电流,但与非环状对应物相比,它们通常通过循环共轭获得额外的稳定性。
更新日期:2023-09-29
中文翻译:
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磁性反芳香性─对位性─并不一定意味着不稳定
磁感应环电流是表征芳香性的传统工具。逆向流和顺向流被认为分别与稳定(芳香性)和不稳定(反芳香性)相关。在目前的工作中,我质疑顺热带流作为单环烃中反芳香性度量的有效性。我已经证明,虽然碳氢化合物的还原/氧化自由基离子维持着强大的顺向电流,但与非环状对应物相比,它们通常通过循环共轭获得额外的稳定性。