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An experimental and theoretical study of the valence shell photoelectron spectrum of bromochlorofluoromethane
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
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2010 (English)In: Journal of Physics B: Atomic, Molecular and Optical Physics, ISSN 0953-4075, E-ISSN 1361-6455, Vol. 43, no 13, 135101- p.Article in journal (Refereed) Published
Abstract [en]

The complete valence shell photoelectron spectrum of bromochlorofluoromethane (CHFClBr), covering the binding energy range similar to 10-50 eV, has been recorded using synchrotron radiation and the observed structure has been interpreted using ionization energies and relative spectral intensities computed using the third-order algebraic-diagrammatic-construction (ADC(3)) scheme for the one-particle Green's function and the outer valence Green's function (OVGF) method. The theoretical results demonstrate that the inner valence region of the photoelectron spectrum is dominated by satellite structure. Angle-resolved photoelectron spectra, recorded at selected excitation energies, have enabled the orbital assignments for the outer valence bands to be confirmed. The four outermost photoelectron bands, ascribed to the two pairs of orbitals associated with the nominally chlorine and bromine lone-pairs, exhibit characteristic angular distributions. The photon energy dependent variations in the relative photoelectron band intensities provide additional support for the orbital assignments.

Place, publisher, year, edition, pages
2010. Vol. 43, no 13, 135101- p.
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Physical Sciences Chemical Sciences
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URN: urn:nbn:se:uu:diva-136144DOI: 10.1088/0953-4075/43/13/135101ISI: 000279003500008OAI: oai:DiVA.org:uu-136144DiVA: diva2:376490
Available from: 2010-12-10 Created: 2010-12-10 Last updated: 2017-12-11Bibliographically approved

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