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Updated: Jan 31, 2026
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Published on: July 27, 2018
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Resonant Photoelectron Confinement in the SF6 Molecule
Etienne Plésiat1, Sophie E Canton2, John D Bozek3
1Departamento de Química, Módulo 13 , Universidad Autónoma de Madrid , 28049 Madrid , Spain.
The Journal of Physical Chemistry. A
|January 5, 2019
Summary
This study details sulfur hexafluoride (SF6) photoionization, revealing shape and confinement resonances. Understanding these is crucial for high-harmonic generation in SF6 and similar molecules.
Area of Science:
- Atomic and Molecular Physics
- Quantum Chemistry
- Spectroscopy
Background:
- High harmonic generation in SF6 requires detailed photoionization data.
- Valence-shell photoionization cross sections and phases are critical parameters.
- Nuclear vibrational dynamics influence photoionization processes.
Purpose of the Study:
- To experimentally determine and theoretically evaluate vibrationally resolved photoionization cross sections of SF6.
- To investigate the influence of shape and confinement resonances on photoionization.
- To provide data relevant for high-harmonic generation in SF6.
Main Methods:
- Experimental determination of photoionization cross sections up to 80 eV.
- Theoretical evaluation of vibrationally resolved cross sections and ionization phases.
- Analysis of the E2T1u photoionization channel.
Main Results:
- Vibrationally resolved photoionization cross sections for SF6 were determined.
- Shape resonances near the ionization threshold and confinement resonances at higher energies were identified.
- Ionization phases show significant dependence on vibrational states near resonances.
Conclusions:
- Photoionization of SF6 exhibits shape and confinement resonances.
- These resonances and their vibrational dependence are critical for high-harmonic generation.
- Similar phenomena are expected in other symmetric molecules like BF3 and CF4.
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