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Updated: Jul 20, 2025
10:03
Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy
Published on: June 27, 2014
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Time-Resolved X-ray Photoelectron Spectroscopy: Ultrafast Dynamics in CS2 Probed at the S 2p Edge
Ian Gabalski1,2, Felix Allum1,3,4, Issaka Seidu5
1Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States.
The Journal of Physical Chemistry Letters
|August 3, 2023
Summary
Time-resolved X-ray photoelectron spectroscopy (TRXPS) reveals ultrafast molecular changes. This study uses TRXPS to track the photodissociation of carbon disulfide (CS2), detailing nuclear and electronic dynamics during this process.
Area of Science:
- Chemical Physics
- Molecular Dynamics
- Spectroscopy
Background:
- X-ray free-electron lasers enable advanced molecular dynamics studies.
- Time-resolved X-ray photoelectron spectroscopy (TRXPS) offers site-selective probing.
- Understanding non-adiabatic dynamics in photoexcited molecules is crucial.
Purpose of the Study:
- To investigate the ultraviolet photodissociation of carbon disulfide (CS2) using TRXPS.
- To correlate changes in sulfur 2p binding energy with nuclear structure evolution.
- To elucidate the complex photodissociation dynamics of CS2.
Main Methods:
- Joint experimental and theoretical TRXPS study.
- Ultraviolet photodissociation of CS2.
- First-principles simulations using ab initio multiple-spawning.
Main Results:
- Sulfur 2p binding energy is sensitive to nuclear structure changes post-photoexcitation.
- TRXPS features were assigned to CS and S photoproducts.
- Demonstrated TRXPS's capability to probe multimodal vibrational coupling and multiple product channels.
Conclusions:
- TRXPS is effective for studying ultrafast photodissociation dynamics.
- The study provides insights into non-adiabatic processes in CS2.
- TRXPS serves as a local probe for complex molecular reactions.
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