Please use this identifier to cite or link to this item: https://doi.org/10.1088/0953-4075/43/13/135101
Title: An experimental and theoretical study of the valence shell photoelectron spectrum of bromochlorofluoromethane
Authors: Holland, D.M.P.
Potts, A.W.
Karlsson, L.
Novak, I. 
Zaytseva, I.L.
Trofimov, A.B.
Gromov, E.V.
Schirmer, J.
Issue Date: 2010
Citation: Holland, D.M.P., Potts, A.W., Karlsson, L., Novak, I., Zaytseva, I.L., Trofimov, A.B., Gromov, E.V., Schirmer, J. (2010). An experimental and theoretical study of the valence shell photoelectron spectrum of bromochlorofluoromethane. Journal of Physics B: Atomic, Molecular and Optical Physics 43 (13) : -. ScholarBank@NUS Repository. https://doi.org/10.1088/0953-4075/43/13/135101
Abstract: The complete valence shell photoelectron spectrum of bromochlorofluoromethane (CHFClBr), covering the binding energy range ∼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. © 2010 IOP Publishing Ltd.
Source Title: Journal of Physics B: Atomic, Molecular and Optical Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/107336
ISSN: 09534075
DOI: 10.1088/0953-4075/43/13/135101
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