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Title: Photoionization from the Xe 4d orbitals of XeF2

Journal Article · · Journal of Chemical Physics
DOI: https://doi.org/10.1063/5.0068530 · OSTI ID:1872760
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [5]; ORCiD logo [6]
  1. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  2. National Research Council of Canada, Ontario (Canada)
  3. Univ. of Nottingham (United Kingdom)
  4. Synchrotron SOLEIL, Gif-sur-Yvette (France)
  5. Daresbury Laboratory (United Kingdom)
  6. Argonne National Lab. (ANL), Lemont, IL (United States)
+ Show Author Affiliations

Here, 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.

Research Organization:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States); Argonne National Laboratory (ANL), Lemont, IL (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; Science and Technology Facilities Council
Grant/Contract Number:
AC02-76SF00515; AC02-06CH11357
OSTI ID:
1872760
Alternate ID(s):
OSTI ID: 1831293; OSTI ID: 1878231
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 19 Vol. 155; ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

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