Article

Core-valence double photoionization of the CS(2) molecule.

Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, Sweden.
The Journal of chemical physics (impact factor: 3.09). 09/2010; 133(9):094305. DOI:10.1063/1.3469812 pp.094305
Source: PubMed

ABSTRACT Double photoionization spectra of the CS(2) molecule have been recorded using the TOF-PEPECO technique in combination with synchrotron radiation at the photon energies hν=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)(2π(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)(2π(g))(-1) double vacancy.

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Keywords

C 1s inner-shell ionization regions
 
C 1s vacancy
 
conventional S 2p
 
dicationic states
 
inner-shell vacancy
 
lowest inner-shell-valence dicationic state
 
MCSCF calculations
 
photoionization spectra
 
S 2p vacancy
 
synchrotron radiation
 
TOF-PEPECO technique
 
vacancy
 
valence photoelectron spectra
 
valence region
 
vertical double ionization energy 188.45 eV