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Dissociative double-photoionization of butadiene in the 25-45 eV energy range using 3-D multi-coincidence ion momentum imaging spectrometry

Oghbaie, Shabnam LU ; Gisselbrecht, Mathieu LU ; Laksman, Joakim LU and Ristinmaa Sörensen, Stacey LU (2015) In Journal of Chemical Physics 143(11). p.114309-114309
Abstract
Dissociative double-photoionization of butadiene in the 25-45 eV energy range has been studied

with tunable synchrotron radiation using full three-dimensional ion momentum imaging. Using ab

initio calculations, the electronic states of the molecular dication below 33 eV are identified. The

results of the measurement and calculation show that double ionization from π orbitals selectively

triggers twisting about the terminal or central C–C bonds. We show that this conformational rearrangement

depends upon the dication electronic state, which effectively acts as a gateway for the

dissociation reaction pathway. For photon energies above 33 eV, three-body dissociation channels

where... (More)
Dissociative double-photoionization of butadiene in the 25-45 eV energy range has been studied

with tunable synchrotron radiation using full three-dimensional ion momentum imaging. Using ab

initio calculations, the electronic states of the molecular dication below 33 eV are identified. The

results of the measurement and calculation show that double ionization from π orbitals selectively

triggers twisting about the terminal or central C–C bonds. We show that this conformational rearrangement

depends upon the dication electronic state, which effectively acts as a gateway for the

dissociation reaction pathway. For photon energies above 33 eV, three-body dissociation channels

where neutral H-atom evaporation precedes C–C charge-separation in the dication species appear in

the correlation map. The fragment angular distributions support a model where the dication species

is initially aligned with the molecular backbone parallel to the polarization vector of the light,

indicating a high probability for double-ionization to the “gateway states” for molecules with this orientation. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Physics
volume
143
issue
11
pages
114309 - 114309
publisher
American Institute of Physics
external identifiers
  • pmid:26395707
  • wos:000361843900032
  • scopus:84942057946
ISSN
0021-9606
DOI
10.1063/1.4931104
language
English
LU publication?
yes
id
0c74b431-b084-462c-af25-5ecc457900cb (old id 8000905)
date added to LUP
2015-09-30 20:25:41
date last changed
2017-08-27 03:41:47
@article{0c74b431-b084-462c-af25-5ecc457900cb,
  abstract     = {Dissociative double-photoionization of butadiene in the 25-45 eV energy range has been studied<br/><br>
with tunable synchrotron radiation using full three-dimensional ion momentum imaging. Using ab<br/><br>
initio calculations, the electronic states of the molecular dication below 33 eV are identified. The<br/><br>
results of the measurement and calculation show that double ionization from π orbitals selectively<br/><br>
triggers twisting about the terminal or central C–C bonds. We show that this conformational rearrangement<br/><br>
depends upon the dication electronic state, which effectively acts as a gateway for the<br/><br>
dissociation reaction pathway. For photon energies above 33 eV, three-body dissociation channels<br/><br>
where neutral H-atom evaporation precedes C–C charge-separation in the dication species appear in<br/><br>
the correlation map. The fragment angular distributions support a model where the dication species<br/><br>
is initially aligned with the molecular backbone parallel to the polarization vector of the light,<br/><br>
indicating a high probability for double-ionization to the “gateway states” for molecules with this orientation.},
  author       = {Oghbaie, Shabnam and Gisselbrecht, Mathieu and Laksman, Joakim and Ristinmaa Sörensen, Stacey},
  issn         = {0021-9606},
  language     = {eng},
  number       = {11},
  pages        = {114309--114309},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Dissociative double-photoionization of butadiene in the 25-45 eV energy range using 3-D multi-coincidence ion momentum imaging spectrometry},
  url          = {http://dx.doi.org/10.1063/1.4931104},
  volume       = {143},
  year         = {2015},
}