Reference : The threshold photoelectron spectroscopy of the cis- and trans-1-chloro-2-fluoro-ethe...
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Chemistry
http://hdl.handle.net/2268/172135
The threshold photoelectron spectroscopy of the cis- and trans-1-chloro-2-fluoro-ethene isomers. An experimental and quantum chemical study.
English
[en] La spectroscopie de photoélectrons de seuil des isomères cis- et trans-1-chloro-2-fluoroéthène. Une étude expérimentale et quantochimique.
Locht, Robert mailto [Université de Liège - ULiège > Département de chimie (sciences) > Laboratory for Molecular Dynamics > >]
Dehareng, Dominique mailto [Université de Liège - ULiège > > Centre d'ingénierie des protéines >]
Leyh, Bernard mailto [Université de Liège - ULiège > Département de chimie (sciences) > Laboratoire de dynamique moléculaire >]
2014
Journal of Physics: B Atomic Molecular and Optical Physics
Institute of Physics
47
17
175101-175012
Yes (verified by ORBi)
International
0953-4075
Bristol
United Kingdom
[en] synchrotron radiation ; threshold photoelectron spectroscopy ; quantum chemical calculations ; autoionisation ; vibrational structure ; electronic excitation ; cis- and trans-1,2-C2H2FCl
[en] The threshold photoelectron spectra (TPES) of the two vicinal isomers of the 1,2-C2H2FCl molecule have been investigated in the 9-24 eV energy range using synchrotron radiation. Eight (for the cis-isomer) or nine (for the trans-isomer) bands have been observed and the corresponding ionization energies have been determined. The spectroscopic assignments are based on high level quantum chemical ab initio calculations for both isomers. Most of the observed spectral features could be interpreted. For both species the first three TPES bands exhibit a rich vibrational structure. Vibrational energies were determined and assignments were also supported by quantum chemical calculations of vibrational wavenumbers for these three ionic states of both isomers.
Laboratoire de Dynamique Moléculaire
Commission européenne : Direction générale de la Recherche
Researchers ; Professionals
http://hdl.handle.net/2268/172135
10.1088/0953-4075/47/17/175101

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