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A photoelectron and double photoionization study of the valence electronic structure of 1,4-bromofluorobenzene
Stockholm University, Faculty of Science, Department of Physics.
Stockholm University, Faculty of Science, Department of Physics.
Stockholm University, Faculty of Science, Department of Physics.
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2009 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 131, no 18, 184302- p.Article in journal (Refereed) Published
Abstract [en]

Conventional photoelectron and time-of-flight photoelectron-photoelectron coincidence (TOF-PEPECO) spectra have been measured for the outer valence region of the 1,4-bromofluorobenzene molecule. The photoelectron spectra were recorded using Hela radiation from a resonance Source, and the TOF-PEPECO spectra were recorded using HeII alpha radiation from a pulsed resonance source. The former provide energies of the cationic states and the latter of the dicationic states. The spectra are adequately interpreted with the aid of accurate Green's function calculations, showing very significant correlation effects. The lowest double ionization energy is found at 23.45 eV associated with the (4b(1))X-2 (1)A(1) dicationic state.

Place, publisher, year, edition, pages
2009. Vol. 131, no 18, 184302- p.
Keyword [en]
correlated molecular calculations, gaussian-basis sets, double-ionization, greens-function, spectrum, photodissociation, propagator, dynamics, energy
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:su:diva-59408DOI: 10.1063/1.3257678ISI: 000272454500014OAI: oai:DiVA.org:su-59408DiVA: diva2:427474
Note
authorCount :10Available from: 2011-06-28 Created: 2011-06-27 Last updated: 2017-12-11Bibliographically approved

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