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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Autores principales:	Xinyang Li, Arkajit Mandal, Pengfei Huo
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/e4a8c45296954a5cb7fa8a646ce28f23
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spelling	oai:doaj.org-article:e4a8c45296954a5cb7fa8a646ce28f232021-12-02T13:32:57ZCavity frequency-dependent theory for vibrational polariton chemistry10.1038/s41467-021-21610-92041-1723https://doaj.org/article/e4a8c45296954a5cb7fa8a646ce28f232021-02-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-21610-9https://doaj.org/toc/2041-1723Vibrational 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.Xinyang LiArkajit MandalPengfei HuoNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-9 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Xinyang Li Arkajit Mandal Pengfei Huo Cavity frequency-dependent theory for vibrational polariton chemistry
description	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.
format	article
author	Xinyang Li Arkajit Mandal Pengfei Huo
author_facet	Xinyang Li Arkajit Mandal Pengfei Huo
author_sort	Xinyang Li
title	Cavity frequency-dependent theory for vibrational polariton chemistry
title_short	Cavity frequency-dependent theory for vibrational polariton chemistry
title_full	Cavity frequency-dependent theory for vibrational polariton chemistry
title_fullStr	Cavity frequency-dependent theory for vibrational polariton chemistry
title_full_unstemmed	Cavity frequency-dependent theory for vibrational polariton chemistry
title_sort	cavity frequency-dependent theory for vibrational polariton chemistry
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/e4a8c45296954a5cb7fa8a646ce28f23
work_keys_str_mv	AT xinyangli cavityfrequencydependenttheoryforvibrationalpolaritonchemistry AT arkajitmandal cavityfrequencydependenttheoryforvibrationalpolaritonchemistry AT pengfeihuo cavityfrequencydependenttheoryforvibrationalpolaritonchemistry
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Cavity frequency-dependent theory for vibrational polariton chemistry

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