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Core-valence double photoionization of the CS2 molecule
KTH, School of Biotechnology (BIO), Theoretical Chemistry.
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2010 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 133, no 9, 094305- p.Article in journal (Refereed) Published
Abstract [en]

Double photoionization spectra of the CS2 molecule have been recorded using the TOF-PEPECO technique in combination with synchrotron radiation at the photon energies h nu=220, 230, 240, 243, and 362.7 eV. The spectra were recorded in the S 2p and C 1s inner-shell ionization regions and reflect dicationic states formed out of one inner-shell vacancy and one vacancy in the valence region. MCSCF calculations were performed to model the energies of the dicationic states. The spectra associated with a S 2p vacancy are well structured and have been interpreted in some detail by comparison to conventional S 2p and valence photoelectron spectra. The lowest inner-shell-valence dicationic state is observed at the vertical double ionization energy 188.45 eV and is associated with a (2p(3/2))(-1)(2 pi(g))(-1) double vacancy. The spectrum connected to the C 1s vacancy shows a distinct line at 310.8 eV, accompanied by additional broad features at higher double ionization energies. This line is associated with a (C 1s)(-1)(2 pi(g))(-1) double vacancy.

Place, publisher, year, edition, pages
2010. Vol. 133, no 9, 094305- p.
Keyword [en]
carbon compounds, inner-shell ionisation, molecule-photon collisions, photoionisation, SCF calculations
National Category
Chemical Sciences
URN: urn:nbn:se:kth:diva-26693DOI: 10.1063/1.3469812ISI: 000281742900011ScopusID: 2-s2.0-77956445127OAI: diva2:373102
QC 20101130Available from: 2010-11-30 Created: 2010-11-26 Last updated: 2010-11-30Bibliographically approved

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Niskanen, JohannesÅgren, Hans
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