Cavity frequency-dependent theory for vibrational polariton chemistry

Vibrational strong coupling controls the ground-state reactivity of molecules in optical cavities, but the underlying theory is still elusive. The authors analyze a molecular system coupled to a cavity mode and find that the reaction rate is suppressed for a particular cavity frequency, related to t...

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Auteurs principaux: Xinyang Li, Arkajit Mandal, Pengfei Huo
Format: article
Langue:EN
Publié: Nature Portfolio 2021
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Accès en ligne:https://doaj.org/article/e4a8c45296954a5cb7fa8a646ce28f23
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Résumé:Vibrational strong coupling controls the ground-state reactivity of molecules in optical cavities, but the underlying theory is still elusive. The authors analyze a molecular system coupled to a cavity mode and find that the reaction rate is suppressed for a particular cavity frequency, related to the topology of the reaction barrier region, analogously to a solvent caging effect.