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Rotationally resolved photoionization of molecular oxygen

Braunstein, M. and McKoy, V. and Dixit, S. N. (1992) Rotationally resolved photoionization of molecular oxygen. Journal of Chemical Physics, 96 (8). pp. 5726-5733. ISSN 0021-9606. https://resolver.caltech.edu/CaltechAUTHORS:20151028-114736589

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Abstract

We report the results of theoretical studies of the rotationally resolved photoelectron spectra of ground state O_2 leading to the X ^2Π_g state of O^+ 2 via the absorption of a single vacuum ultraviolet photon. These studies elaborate on a recent report [M. Braunstein e t a l., J. Chem. Phys. 9 3, 5345 (1990)] where we showed that a shape resonance near threshold creates a significant dependence of the rotational branching ratios on the ion vibrational level. We also showed that analysis of the rotational branches yields detailed information on the angular momentum composition of the shape resonance. We continue this analysis giving a comprehensive derivation of the rotationally resolved cross sections and photoelectron angular distributions. We discuss the selection rules implied by these expressions and present very high resolution cross sections (J→J^+) obtained using static‐exchange photoelectron orbitals and explicitly taking into account the internuclear distance dependence of the electronic transition moment. These cross sections illustrate the selection rules and show more explicitly the angular momentum composition of the shape resonance. We also present rotationally resolved photoelectron angular distributions which would be expected at low energy.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.462671DOIArticle
http://scitation.aip.org/content/aip/journal/jcp/96/8/10.1063/1.462671PublisherArticle
Additional Information:© 1992 American Institute of Physics. (Received 14 August 1991; accepted 7 January 1992) Research at the California Institute of Technology was supported by grants from the National Science Foundation (Grant No. CHE-85121391), AFOSR (Grant No. 87-0039), and the Office of Health and Environmental Research of the DOE (Grant No. DEFG03-87ER60513). We also acknowledge use of the resources of the San Diego Supercomputer Center, which is supported by the National Science Foundation. Work done by S. N. D. was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. W-7405-Eng-48.
Funders:
Funding AgencyGrant Number
NSFCHE-85121391
Air Force Office of Scientific Research (AFOSR)87-0039
Department of Energy (DOE)DE-FG03-87ER60513
Department of Energy (DOE)W-7405-ENG-48
Other Numbering System:
Other Numbering System NameOther Numbering System ID
Caltech Arthur Amos Noyes Laboratory of Chemical Physics8489
Issue or Number:8
Record Number:CaltechAUTHORS:20151028-114736589
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20151028-114736589
Official Citation:Rotationally resolved photoionization of molecular oxygen Braunstein, M. and McKoy, V. and Dixit, S. N., The Journal of Chemical Physics, 96, 5726-5733 (1992), DOI:http://dx.doi.org/10.1063/1.462671
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:61663
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:30 Oct 2015 19:48
Last Modified:03 Oct 2019 09:10

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