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Fragmentation properties of three-membered heterocyclic molecules by partial ion yield spectroscopy: C2H4O and C2H4S

J. Chem. Phys. 131, 174306 (2009); doi:10.1063/1.3257685

Published 3 November 2009

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W. C. Stolte,1,2 I. Dumitriu,3 S.-W. Yu,4 G. Öhrwall,5 M. N. Piancastelli,6 and D. W. Lindle1
1Department of Chemistry, University of Nevada, Las Vegas, Nevada 89154-4003, USA
2Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
3Department of Physics, Western Michigan University, Kalamazoo, Michigan 49008-5252, USA
4Lawrence Livermore National Laboratory, Livermore, California 94550, USA
5MAX-lab, Lund University, Box 118, Lund SE-221 00, Sweden
6Department of Physics and Materials Science, Uppsala University, Box 530, Uppsala SE-751 21, Sweden
We investigated the photofragmentation properties of two three-membered ring heterocyclic molecules, C2H4O and C2H4S, by total and partial ion yield spectroscopy. Positive and negative ions have been collected as a function of photon energy around the C 1s and O 1s ionization thresholds in C2H4O, and around the S 2p and C 1s thresholds in C2H4S. We underline similarities and differences between these two analogous systems. We present a new assignment of the spectral features around the C K-edge and the sulfur L2,3 edges in C2H4S. In both systems, we observe high fragmentation efficiency leading to positive and negative ions when exciting these molecules at resonances involving core-to-Rydberg transitions. The system, with one electron in an orbital far from the ionic core, relaxes preferentially by spectator Auger decay, and the resulting singly charged ion with two valence holes and one electron in an outer diffuse orbital can remain in excited states more susceptible to dissociation. A state-selective fragmentation pattern is analyzed in C2H4S which leads to direct production of S2+ following the decay of virtual-orbital excitations to final states above the double-ionization threshold. ©2009 American Institute of Physics
History: Received 17 July 2009; accepted 10 October 2009; published 3 November 2009
Permalink: http://link.aip.org/link/?JCPSA6/131/174306/1
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KEYWORDS and PACS

Keywords
PACS
  • 33.80.Gj
    Diffuse molecular spectra; predissociation, photodissociation
  • 33.15.Ry
    Molecular ionization potentials, electron affinities, molecular core binding energy
  • YEAR: 2009

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

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