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Thomas Schnappinger @tschnappinger.bsky.social · 1d

This study is partly based on Lorenzo's earlier work which is also worth a read 😀 doi.org/10.1063/5.02...

Simulating nonadiabatic dynamics in benzophenone: Tracing internal conversion through photoelectron spectra

Benzophenone serves as a prototype chromophore for studying the photochemistry of aromatic ketones, with applications ranging from biochemistry to organic light

doi.org

Thomas Schnappinger @tschnappinger.bsky.social · 1d

Just accepted in @pccp.rsc.org 🎉 #chemsky #compchemsky
In Lorenzo's @lostaino.bsky.social new paper we follow the nonadiabatic dynamics of meta-Methylbenzophenone! Together with @tqdspec.bsky.social we combine quantum dynamics and advanced X-ray spectroscopy techniques:
doi.org/10.1039/D5CP...

Simulation of time-resolved site-selective X-ray spectroscopy tracing nonadiabatic dynamics in meta-Methylbenzophenone

Benzophenone and its derivatives are important diaryl ketone building blocks that have applications ranging from UV blockers to organic optoelectronics. This class of substances exhibits efficient int...

doi.org

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Thomas Schnappinger @tschnappinger.bsky.social · Sep 10

New preprint online 🎉 Together with @lucasgborges.bsky.social and @tqdspec.bsky.social , we investigated how optical cavities can selectively excite vibrational states in the STIRAP way 💡https://arxiv.org/abs/2509.07753 #chemsky 🧪 #polaritonics

Selective excitation of molecular vibrations via a two-mode cavity Raman scheme

The experimental realization of strong light-matter coupling with molecules initiated the rapidly evolving field of molecular polaritonics. Most studies focus on how exciton polaritons, which combine ...

arxiv.org

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Thomas Schnappinger @tschnappinger.bsky.social · Aug 6

Sorry, I forgot to add you, @frott.bsky.social 😅

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Thomas Schnappinger @tschnappinger.bsky.social · Aug 6

🧪 #Chemsky

1

Thomas Schnappinger @tschnappinger.bsky.social · Aug 6

Since 1932, it has been believed that quantum state transitions occur instantly. However, our study revealed a 1.46 fs delay due to third-state coupling. This changes the way we think about ultrafast population transfer in photochemistry and electronics. Have a read: doi.org/10.1038/s414...

Attosecond spectroscopy of molecular charge transfer uncovers a 1.5-fs delay in population transfer - Nature Communications

While population transfer between electronic states occurs instantly in two-state model systems, here the authors show that real-world systems with coupling to additional states can exhibit measu...

doi.org

4 4

Thomas Schnappinger @tschnappinger.bsky.social · Jul 25

Paper alert 🎉 Shedding light on dark polaritonic states!
@lucasgborges.bsky.social, @tqdspec.bsky.social
and I explore the role of dark polaritonic states in strong light-matter coupling. Read on to find out how multiple excitations can favor polaritonic reactions! #chemsky 🧪 #polaritonics

Impact of Dark Polariton States on Collective Strong Light–Matter Coupling in Molecules

Polaritonic chemistry investigates the possible modification of chemical and photochemical reactions by means of strong light–matter coupling in optical cavities, as demonstrated in numerous experimen...

pubs.acs.org

2 3

Thomas Schnappinger @tschnappinger.bsky.social · May 15

🥳 Check out our new paper, just released with @pubs.acs.org! #compchem #chemsky 🧪 #polaritonics
Together with @tqdspec.bsky.social, we investigated how vibrational strong coupling can locally change molecular polarizabilities and analyzed vibro-polaritonic Raman spectra.
pubs.acs.org/doi/10.1021/...

Molecular Polarizability under Vibrational Strong Coupling

Polaritonic chemistry offers the possibility of modifying molecular properties and even influencing chemical reactivity through strong coupling between vibrational transitions and confined light modes...

pubs.acs.org

2 7

Thomas Schnappinger @tschnappinger.bsky.social · Apr 30

🧪 #Chemsky and lets see if we can boost #polaritonics 🎉

Reposted by Thomas Schnappinger

Markus Kowalewski @tqdspec.bsky.social · Apr 30

New pre-print out with @tschnappinger.bsky.social and @lucasgborges.bsky.social!
We took a closer look at the higher the excitation manifolds of the Tavis-Cummings model and how they are connected to polaritonic chemistry:
arxiv.org/abs/2504.20798

The role of dark polariton states for electronic strong coupling in molecules

Polaritonic chemistry investigates the possible modification of chemical and photochemical reactions by means of strong light-matter coupling in optical cavities, as demonstrated in numerous experimen...

arxiv.org

1 1 1

Reposted by Thomas Schnappinger

Fysikum @fysinfo.bsky.social · Apr 22

Fysikum congratulates our PhD student Sambit Kumar, who successfully defended his thesis: “Molecular Transients in Photoactive Heterocyclic Systems” on April 11, 2025.
www.su.se/department-o...
#fysik #fysikum #stockholmuni

Sambit Kumar's thesis in Chemical Physics - Department of Physics

Fysikum congratulates our PhD student Sambit Kumar, who successfully defended his thesis: “Molecular Transients in Photoactive Heterocyclic Systems” on April 11, 2025.

www.su.se

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Thomas Schnappinger @tschnappinger.bsky.social · Mar 24

And as always, I almost forgot the most important things to add: 🧪 #ChemSky #CompChemSky

Thomas Schnappinger @tschnappinger.bsky.social · Mar 24

New preprint with @tqdspec.bsky.social 🥳
In our latest work, we investigate how strong vibrational coupling can induce local changes in molecular ensembles. Using an ab-initio method, we've analyzed polarizabilities and gained insight into vibro-polaritonic Raman spectra:
arxiv.org/abs/2503.17102

Molecular Polarizability under Vibrational Strong Coupling

Polaritonic chemistry offers the possibility of modifying molecular properties and even influencing chemical reactivity through strong coupling between vibrational transitions and confined light modes...

arxiv.org

1 2 2

Thomas Schnappinger @tschnappinger.bsky.social · Mar 7

And nearly forgotten to add 🧪 #ChemSky and #CompChemSky

Thomas Schnappinger @tschnappinger.bsky.social · Mar 7

Two in a row 🎉
Curious about why two might be better than one when it comes to molecular polaritonics? 🤔
Check out our new paper with @tqdspec.bsky.social:

Enhanced photoisomerization with hybrid metallodielectric cavities based on mode interference

The ability to control chemical reactions by coupling organic molecules to confined light in a cavity has recently attracted much attention. While most previous

pubs.aip.org

1 1 3

Thomas Schnappinger @tschnappinger.bsky.social · Mar 5

📣 New paper alert!
🤔 How can an analytical model help unravel the mysteries of collective strong coupling in molecular systems?
😀We give you the answer in our new paper!!
🧪 #Chemsky #CompChemSky

Analytic model reveals local molecular polarizability changes induced by collective strong coupling in optical cavities

Despite recent numerical evidence, one of the fundamental theoretical mysteries of polaritonic chemistry is how and if collective strong coupling can induce local changes of the electronic structure t...

journals.aps.org

Thomas Schnappinger @tschnappinger.bsky.social · Feb 24

Check out @lostaino.bsky.social latest paper with a really fancy TOC figure: How photoelectron spectroscopy can be used to study ultrafast dynamics in benzophenone. A nice theoretical work together with @tqdspec.bsky.social: doi.org/10.1063/5.02... #chemsky, #compchemsky

Simulating nonadiabatic dynamics in benzophenone: Tracing internal conversion through photoelectron spectra

Benzophenone serves as a prototype chromophore for studying the photochemistry of aromatic ketones, with applications ranging from biochemistry to organic light

doi.org

2 7

Thomas Schnappinger @tschnappinger.bsky.social · Dec 27

🧪 #chemsky and #polaritonics

Thomas Schnappinger @tschnappinger.bsky.social · Dec 27

What a nice Christmas present 🎄 Our article on double quantum coherence spectroscopy for vibrational coupling strong was published yesterday! Thanks to Cyril Falvo and @tqdspec.bsky.social for a great collaboration! This is a great way to end an exciting year!

Disentangling collective coupling in vibrational polaritons with double quantum coherence spectroscopy

Vibrational polaritons are formed by strong coupling of molecular vibrations and photon modes in an optical cavity. Experiments have demonstrated that vibration

doi.org

2 1 6

Thomas Schnappinger @tschnappinger.bsky.social · Dec 16

#compchem

Reposted by Thomas Schnappinger

Markus Kowalewski @tqdspec.bsky.social · Dec 16

Curious about why two might be better than one when it comes to molecular polaritonics? Check out our new preprint with @tschnappinger.bsky.social arxiv.org/abs/2412.10123
#science #polaritonicchemistry

Enhanced photoisomerization with hybrid metallodielectric cavities based on mode interference

The ability to control chemical reactions by coupling organic molecules to confined light in a cavity has recently attracted much attention. While most previous studies have focused on single-mode pho...

arxiv.org

1 1 2

Thomas Schnappinger @tschnappinger.bsky.social · Dec 8

My first homemade bread in Sweden😁

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Thomas Schnappinger @tschnappinger.bsky.social · Nov 27

Congratulations, it was a long journey but great to see it finally published.
#chemsky #compchem

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Thomas Schnappinger @tschnappinger.bsky.social · Nov 26

Looking forward to present our results on vibrational strong coupling in molecular polaritonics at the Institute of Applied Physics, TU Darmstadt!

Cavity-Born-Oppenheimer Hartree-Fock: Vibartional-Strong-Coupling in molecular ensembles

www.physik.tu-darmstadt.de

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Thomas Schnappinger @tschnappinger.bsky.social · Nov 22

Find out how an analytical model can help unravel the mysteries of collective strong coupling! Thanks for the great collaboration Jacob Horak, Dominik Sidler, Wei-Ming Huang, Michael Ruggenthaler and Angel Rubio:
arxiv.org/abs/2401.16374

#Physics, #chemsky, #CompChemSky

Analytic Model Reveals Local Molecular Polarizability Changes Induced by Collective Strong Coupling in Optical Cavities

Despite recent numerical evidence, one of the fundamental theoretical mysteries of polaritonic chemistry is how and if collective strong coupling can induce local changes of the electronic structure t...

arxiv.org

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