Conical-intersection dynamics and ground-state chemistry probed by extreme-ultraviolet time-resolved photoelectron
A von Conta1, A Tehlar1, A Schletter1
1Laboratory of Physical Chemistry, ETH Zurich, Vladimir-Prelog-Weg 2, CH-8093, Zurich, Switzerland.
Nature Communications
|August 10, 2018
Summary
Time-resolved photoelectron spectroscopy using high-energy X-rays (XUV-TRPES) reveals complex chemical dynamics in nitrogen dioxide (NO2). This advanced technique provides a comprehensive view of ultrafast processes from photoexcitation to final products.
Area of Science:
- Chemical Physics
- Quantum Dynamics
- Spectroscopy
Background:
- Time-resolved photoelectron spectroscopy (TRPES) traditionally uses low photon energies, limiting its scope.
- Understanding coupled electronic-nuclear quantum dynamics is crucial for chemical processes.
Purpose of the Study:
- Demonstrate the advantages of X-ray-driven TRPES (XUV-TRPES).
- Investigate the non-adiabatic photochemical dynamics of nitrogen dioxide (NO2).
Main Methods:
- Applied XUV-TRPES to NO2.
- Utilized high photon energy for ionization across the entire geometrical configuration space.
- Performed ab initio wavepacket calculations on new global potential-energy surfaces.
Main Results:
- XUV-TRPES provided access to the complete dynamics of NO2.
- Observed dynamics through conical intersections, large-amplitude motion, and photodissociation in the ground electronic state.
- Simultaneously projected excited-state wave packets onto multiple final states for a multi-dimensional view.
Conclusions:
- XUV-TRPES offers a powerful, comprehensive method for studying ultrafast chemical dynamics.
- The technique provides unprecedented insight into complex photochemical processes.
- Established XUV-TRPES as a key tool for elucidating electronic-nuclear quantum dynamics.
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