ArticleNature communications2023
Quantum dynamical effects of vibrational strong coupling in chemical reactivity.
Article in Nature communications, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 29 papers.
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Who cites it
29 citing papers in PubMed.
- How Many Kelvins Are Equivalent to One Electron-Volt: An Investigation of Energy-Temperature Scaling in Catalysis.Precision chemistry · 2026Article
- A macroscopic condensation theory for vibrational strong coupling effects.Nature communications · 2026Article
- Resonant Enhancement of Photolysis through Plasmon-Vibrational Coupling.Journal of the American Chemical Society · 2026Article
- Collectively-Modified Intermolecular Electron Correlations: The Connection of Polaritonic Chemistry and Spin Glass Physics.Chemical reviews · 2026Review
- Cluster Formation and Phase Transitions Induced by Vibrational Strong Coupling.Angewandte Chemie (International ed. in English) · 2026Article
- Trajectory-based computational analysis of the quantum-classical transition in asymmetrically coupled spin-boson models.Computational and structural biotechnology journal · 2026Article
- Density-functional tight binding meets Maxwell: unraveling the mysteries of (strong) light-matter coupling efficiently.Nanophotonics (Berlin, Germany) · 2025Article
- A Phenomenological Symmetry Rule for Chemical Reactivity Under Vibrational Strong Coupling.Angewandte Chemie (International ed. in English) · 2025Article
- Polaritonic Control of Blackbody Infrared Radiative Dissociation.The journal of physical chemistry letters · 2025Article
- Theoretical and quantum mechanical deconstruction of vibrational energy transfer pathways modified by collective vibrational strong coupling.Nature communications · 2025Article
- Cavity-Mediated Collective Resonant Suppression of Local Molecular Vibrations.The journal of physical chemistry letters · 2025Article
- Theoretical Insights into the Resonant Suppression Effect in Vibrational Polariton Chemistry.Journal of the American Chemical Society · 2025Article
- Mechanism of Molecular Polariton Decoherence in the Collective Light-Matter Couplings Regime.The journal of physical chemistry letters · 2024Article
- Do Molecular Geometries Change Under Vibrational Strong Coupling?The journal of physical chemistry letters · 2024Article
- Article
- Resonance theory of vibrational polariton chemistry at the normal incidence.Nanophotonics (Berlin, Germany) · 2024Article
- Investigating the collective nature of cavity-modified chemical kinetics under vibrational strong coupling.Nanophotonics (Berlin, Germany) · 2024Article
- Unraveling a Cavity-Induced Molecular Polarization Mechanism from Collective Vibrational Strong Coupling.The journal of physical chemistry letters · 2024Article
- Unraveling the mechanisms of triplet state formation in a heavy-atom free photosensitizer.Chemical science · 2024Article
- Machine Learning for Polaritonic Chemistry: Accessing Chemical Kinetics.Journal of the American Chemical Society · 2024Article
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3 authors.
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Abstract
Recent experiments suggest that ground state chemical reactivity can be modified when placing molecular systems inside infrared cavities where molecular vibrations are strongly coupled to electromagnetic radiation. This phenomenon lacks a firm theoretical explanation. Here, we employ an exact quantum dynamics approach to investigate a model of cavity-modified chemical reactions in the condensed phase. The model contains the coupling of the reaction coordinate to a generic solvent, cavity coupling to either the reaction coordinate or a non-reactive mode, and the coupling of the cavity to lossy modes. Thus, many of the most important features needed for realistic modeling of the cavity modification of chemical reactions are included. We find that when a molecule is coupled to an optical cavity it is essential to treat the problem quantum mechanically to obtain a quantitative account of alterations to reactivity. We find sizable and sharp changes in the rate constant that are associated with quantum mechanical state splittings and resonances. The features that emerge from our simulations are closer to those observed in experiments than are previous calculations, even for realistically small values of coupling and cavity loss. This work highlights the importance of a fully quantum treatment of vibrational polariton chemistry.
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