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arXiv · 2408.07319

Impact of Jahn-Teller distortions on persistent molecular ring current in benzene

T. Joyce·A. Jaron
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Abstract

Circularly polarized femtosecond UV laser pulse can remove a {\pi} electron from benzene in such a way that the leftover hole circulates around the cation as a persistent ring current. We investigate the time dependent strength of the current as the molecule relaxes from the D6h symmetry of the neutral to the D2h symmetry of the cation due to the Jahn-Teller effect. We explore the effect of spontaneous symmetry breaking on persistent ring currents for benzene cation, because it is one of the most comprehensively studied examples of the Jahn-Teller effect.

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T. Joyce, A. Jaron. 2024-08-14. Impact of Jahn-Teller distortions on persistent molecular ring current in benzene. https://arxiv.org/abs/2408.07319

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