Cavity frequency-dependent theory for vibrational polariton chemistry

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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Main Authors: Xinyang Li, Arkajit Mandal, Pengfei Huo
Format: Article
Language:English
Published: Nature Publishing Group 2021-02-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-021-21610-9
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spelling doaj-e4a8c45296954a5cb7fa8a646ce28f232021-03-11T11:34:23ZengNature Publishing GroupNature Communications2041-17232021-02-011211910.1038/s41467-021-21610-9Cavity frequency-dependent theory for vibrational polariton chemistryXinyang Li0Arkajit Mandal1Pengfei Huo2Department of Chemistry, University of RochesterDepartment of Chemistry, University of RochesterDepartment of Chemistry, University of RochesterVibrational 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.https://doi.org/10.1038/s41467-021-21610-9
collection DOAJ
language English
format Article
sources DOAJ
author Xinyang Li
Arkajit Mandal
Pengfei Huo
spellingShingle Xinyang Li
Arkajit Mandal
Pengfei Huo
Cavity frequency-dependent theory for vibrational polariton chemistry
Nature Communications
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 Publishing Group
series Nature Communications
issn 2041-1723
publishDate 2021-02-01
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.
url https://doi.org/10.1038/s41467-021-21610-9
work_keys_str_mv AT xinyangli cavityfrequencydependenttheoryforvibrationalpolaritonchemistry
AT arkajitmandal cavityfrequencydependenttheoryforvibrationalpolaritonchemistry
AT pengfeihuo cavityfrequencydependenttheoryforvibrationalpolaritonchemistry
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