Shape resonances in the photoionization of CF₄

Journal Article · Wed Jan 01 00:00:00 EST 1986 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.450202· OSTI ID:6098323

Stephens, J. A. ^[1]; Dill, Dan ^[2]; Dehmer, Joseph L. ^[3]

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1. Univ. of Chicago, IL (United States)Argonne, IL (United States)
2. Boston Univ., MA (United States). Dept. of Chemistry
3. Argonne National Lab. (ANL), Argonne, IL (United States)

Calculations of photoionization cross sections and photoelectron angular distributions have been performed for all occupied orbitals of CF₄ using the multiple-scattering model. Results are compared with very recent experiments which employ synchrotron radiation to measure these quantities, namely the measurements of Truesdale e t a l. for the carbonK shell, and measurements of Carlson e t a l. and Novak e t a l. for the five outermost valence levels. The calculations predict intense shape resonances below 3 eV in continua of a₁ and t₂ final state symmetry. Qualitative agreement is attained on comparing much of the theory with experiment, notably the five outer valence levels, which serves to establish a one-electron picture of the photoionization dynamics of CF₄.

• Research Organization: The James Franck Institute, The University of Chicago, Chicago, IL (United States)
• Sponsoring Organization: USDOE; National Science Foundation (NSF)
• DOE Contract Number: W-31-109-ENG-38; CHE-8203267
• OSTI ID: 6098323
• Journal Information: Journal of Chemical Physics, Vol. 84, Issue 7; ISSN 0021-9606: JCPSA6
• Publisher: American Institute of Physics (AIP)
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
CARBON TETRAFLUORIDE
PHOTOELECTRON SPECTROSCOPY
PHOTOIONIZATION
ANGULAR DISTRIBUTION
CROSS SECTIONS
ELECTRONIC STRUCTURE
DISTRIBUTION
ELECTRON SPECTROSCOPY
FLUORINATED ALIPHATIC HYDROCARBONS
HALOGENATED ALIPHATIC HYDROCARBONS
IONIZATION
ORGANIC COMPOUNDS
ORGANIC FLUORINE COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
SPECTROSCOPY
640302* - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory