Evidence map›Paper›PMID 36535939›Full record

ArticleNature communications2022

Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity.

Christian Schäfer, Johannes Flick, Enrico Ronca, Prineha Narang, Angel Rubio

Abstract read
In one paragraph

Article in Nature communications, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 43 papers.

0numbers the graph read from it
0cells of the map it votes in
43citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

43 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Resonant Enhancement of Photolysis through Plasmon-Vibrational Coupling.Journal of the American Chemical Society · 2026
    Article
  5. Review
  6. Cluster Formation and Phase Transitions Induced by Vibrational Strong Coupling.Angewandte Chemie (International ed. in English) · 2026
    Article
  7. Polaritonic quantum matter.Nanophotonics (Berlin, Germany) · 2025
    Review
  8. The Diels-Alder Reaction as a Mechanistic Probe for Vibrational Strong Coupling.Angewandte Chemie (International ed. in English) · 2025
    Article
  9. Article
  10. Polaritonic Control of Blackbody Infrared Radiative Dissociation.The journal of physical chemistry letters · 2025
    Article
  11. Article
  12. Article
  13. Strong Coupling Møller-Plesset Perturbation Theory.Journal of chemical theory and computation · 2025
    Article
  14. Article
  15. Article
  16. Do Molecular Geometries Change Under Vibrational Strong Coupling?The journal of physical chemistry letters · 2024
    Article
  17. Article
  18. Article
  19. Article
  20. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors.

Christian SchäferMax Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science & Department of Physics, Hamburg, Germany. christian.schaefer.physics@gmail.com.ORCID http://orcid.org/0000-0002-8557-733X
Johannes FlickCenter for Computational Quantum Physics, Flatiron Institute, New York, NY, USA. jflick@flatironinstitute.org.ORCID http://orcid.org/0000-0003-0273-7797
Enrico RoncaIstituto per i Processi Chimico Fisici del CNR (IPCF-CNR), Pisa, Italy. enrico.ronca@pi.ipcf.cnr.it.ORCID http://orcid.org/0000-0003-0494-5506
Prineha NarangJohn A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, MA, USA. prineha@ucla.edu.ORCID http://orcid.org/0000-0003-3956-4594
Angel RubioMax Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science & Department of Physics, Hamburg, Germany. angel.rubio@mpsd.mpg.de.ORCID http://orcid.org/0000-0003-2060-3151

Funding

Deutsche Forschungsgemeinschaft (German Research Foundation) EXC-2056-390715994Gordon and Betty Moore Foundation (Gordon E. and Betty I. Moore Foundation) GBMF8048U.S. Department of Energy (DOE) DE-SC0019140Vetenskapsrådet (Swedish Research Council) 2016-06059
6 · The paper itself

Abstract

Strong light-matter interaction in cavity environments is emerging as a promising approach to control chemical reactions in a non-intrusive and efficient manner. The underlying mechanism that distinguishes between steering, accelerating, or decelerating a chemical reaction has, however, remained unclear, hampering progress in this frontier area of research. We leverage quantum-electrodynamical density-functional theory to unveil the microscopic mechanism behind the experimentally observed reduced reaction rate under cavity induced resonant vibrational strong light-matter coupling. We observe multiple resonances and obtain the thus far theoretically elusive but experimentally critical resonant feature for a single strongly coupled molecule undergoing the reaction. While we describe only a single mode and do not explicitly account for collective coupling or intermolecular interactions, the qualitative agreement with experimental measurements suggests that our conclusions can be largely abstracted towards the experimental realization. Specifically, we find that the cavity mode acts as mediator between different vibrational modes. In effect, vibrational energy localized in single bonds that are critical for the reaction is redistributed differently which ultimately inhibits the reaction.

Identifiers

PMID36535939
PMCPMC9763331

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.