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

Stolte, W. C.; Dumitriu, I.; Yu, S. -W.; Öhrwall, Gunnar LU ; Piancastelli, M. N. and Lindle, D. W. (2009) In Journal of Chemical Physics 131(17).
Abstract
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 L-2,L-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... (More)
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 L-2,L-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. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
states, Rydberg, photodissociation, ionisation potential, organic compounds
in
Journal of Chemical Physics
volume
131
issue
17
publisher
American Institute of Physics
external identifiers
  • wos:000271664500026
  • scopus:70449378604
ISSN
0021-9606
DOI
10.1063/1.3257685
language
English
LU publication?
yes
id
31d63186-2a45-47dd-a8a2-05b9ff141d1e (old id 1519401)
date added to LUP
2009-12-28 13:14:21
date last changed
2017-01-01 04:32:44
@article{31d63186-2a45-47dd-a8a2-05b9ff141d1e,
  abstract     = {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 L-2,L-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.},
  articleno    = {174306},
  author       = {Stolte, W. C. and Dumitriu, I. and Yu, S. -W. and Öhrwall, Gunnar and Piancastelli, M. N. and Lindle, D. W.},
  issn         = {0021-9606},
  keyword      = {states,Rydberg,photodissociation,ionisation potential,organic compounds},
  language     = {eng},
  number       = {17},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Fragmentation properties of three-membered heterocyclic molecules by partial ion yield spectroscopy: C2H4O and C2H4S},
  url          = {http://dx.doi.org/10.1063/1.3257685},
  volume       = {131},
  year         = {2009},
}