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Photoionization from the Xe 4d orbitals of XeF2

Forbes, R.; Hockett, P.; Powis, I.; Bozek, J. D.; Holland, D. M.P.; Pratt, S. T.

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Authors

R. Forbes

P. Hockett

I. Powis

J. D. Bozek

D. M.P. Holland

S. T. Pratt



Abstract

We present a comparison of the photoionization dynamics of the 4d shell of XeF2 from threshold to 250 eV to those of the prototypical 4d shell of atomic Xe. The new experimental data include spin-orbit and ligand-field-resolved partial cross sections, photoelectron angular distributions, branching fractions, and lifetime widths for the 4d-hole states. The spin-orbit branching fractions and angular distributions are remarkably similar to the corresponding distributions from atomic Xe across a broad energy interval that includes both the intense shape resonance in the f continuum and a Cooper minimum in the same channel. The angular distributions and branching fractions are also in reasonably good agreement with our first-principles theoretical calculations on XeF2. Data are also presented on the lifetime widths of the substate-resolved 4d-hole states of XeF2. While the trends in the widths are similar to those in the earlier experimental and theoretical work, the linewidths are considerably smaller than in the previous measurements, which may require some reinterpretation of the decay mechanism. Finally, we present new data and an analysis of the Auger electron spectra for ionization above the 4d thresholds and resonant Auger spectra for several pre-edge features.

Journal Article Type Article
Acceptance Date Oct 26, 2021
Online Publication Date Nov 18, 2021
Publication Date Nov 21, 2021
Deposit Date Nov 18, 2021
Publicly Available Date Nov 23, 2021
Journal Journal of Chemical Physics
Print ISSN 0021-9606
Electronic ISSN 1089-7690
Publisher AIP Publishing
Peer Reviewed Peer Reviewed
Volume 155
Issue 19
Article Number 194301
DOI https://doi.org/10.1063/5.0068530
Keywords Physical and Theoretical Chemistry; General Physics and Astronomy
Public URL https://nottingham-repository.worktribe.com/output/6730211
Publisher URL https://aip.scitation.org/doi/10.1063/5.0068530
Additional Information This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in R. Forbes, P. Hockett, I. Powis, J. D. Bozek, D. M. P. Holland, and S. T. Pratt , "Photoionization from the Xe 4d orbitals of XeF2", J. Chem. Phys. 155, 194301 (2021) and may be found at https://doi.org/10.1063/5.0068530

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