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Role of the Renner-Teller effect after core hole excitation in the dissociation dynamics of carbon dioxide dication.

Laksman, Joakim LU ; Månsson, Erik LU ; Grunewald, C; Sankari, Anna LU ; Gisselbrecht, Mathieu LU ; Céolin, D and Ristinmaa Sörensen, Stacey LU (2012) In Journal of Chemical Physics 136(10).
Abstract
The fragmentation of the doubly-charged carbon dioxide molecule is studied after photoexcitation to the C 1s(1)2π(u) and O 1s(1)2π(u) states using a multicoincidence ion-imaging technique. The bent component of the Renner-Teller split states populated in the 1s→ π∗ resonant excitation at both the carbon and oxygen 1s ionization edges opens pathways to potential surfaces in highly bent geometries in the dication. Evidence for a complete deformation of the molecule is found in the coincident detection of C(+) and O(2) (+) ions. The distinct alignment of this fragmentation channel indicates rapid deformation and subsequent fragmentation. Investigation of the complete atomization dynamics in the dication leading to asymmetric charge separation... (More)
The fragmentation of the doubly-charged carbon dioxide molecule is studied after photoexcitation to the C 1s(1)2π(u) and O 1s(1)2π(u) states using a multicoincidence ion-imaging technique. The bent component of the Renner-Teller split states populated in the 1s→ π∗ resonant excitation at both the carbon and oxygen 1s ionization edges opens pathways to potential surfaces in highly bent geometries in the dication. Evidence for a complete deformation of the molecule is found in the coincident detection of C(+) and O(2) (+) ions. The distinct alignment of this fragmentation channel indicates rapid deformation and subsequent fragmentation. Investigation of the complete atomization dynamics in the dication leading to asymmetric charge separation shows that the primary dissociation mechanisms, sequential, concerted, and asynchronous concerted, are correlated to specific fragment kinetic energies. The study shows that the bond angle in fragmentation can extend below 20°. (Less)
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author
organization
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type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Physics
volume
136
issue
10
publisher
American Institute of Physics
external identifiers
  • wos:000301664600014
  • pmid:22423834
  • scopus:84858964075
ISSN
0021-9606
DOI
10.1063/1.3692293
language
English
LU publication?
yes
id
e5be164f-d930-4065-b057-7d2357683267 (old id 2431711)
date added to LUP
2012-04-04 14:27:12
date last changed
2017-01-01 03:11:01
@article{e5be164f-d930-4065-b057-7d2357683267,
  abstract     = {The fragmentation of the doubly-charged carbon dioxide molecule is studied after photoexcitation to the C 1s(1)2π(u) and O 1s(1)2π(u) states using a multicoincidence ion-imaging technique. The bent component of the Renner-Teller split states populated in the 1s→ π∗ resonant excitation at both the carbon and oxygen 1s ionization edges opens pathways to potential surfaces in highly bent geometries in the dication. Evidence for a complete deformation of the molecule is found in the coincident detection of C(+) and O(2) (+) ions. The distinct alignment of this fragmentation channel indicates rapid deformation and subsequent fragmentation. Investigation of the complete atomization dynamics in the dication leading to asymmetric charge separation shows that the primary dissociation mechanisms, sequential, concerted, and asynchronous concerted, are correlated to specific fragment kinetic energies. The study shows that the bond angle in fragmentation can extend below 20°.},
  articleno    = {104303},
  author       = {Laksman, Joakim and Månsson, Erik and Grunewald, C and Sankari, Anna and Gisselbrecht, Mathieu and Céolin, D and Ristinmaa Sörensen, Stacey},
  issn         = {0021-9606},
  language     = {eng},
  number       = {10},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Role of the Renner-Teller effect after core hole excitation in the dissociation dynamics of carbon dioxide dication.},
  url          = {http://dx.doi.org/10.1063/1.3692293},
  volume       = {136},
  year         = {2012},
}