Reference : The Spectroscopy of the Geminal Ethylene difluoride (1,1-C2H2F2): HeI, threshold and ...
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/2268/123830
The Spectroscopy of the Geminal Ethylene difluoride (1,1-C2H2F2): HeI, threshold and Constant Ion State spectroscopies.
English
[fr] La spectroscopie du Difluorure d'Ethylène Géminal (1,1-C2H2F2): les spectroscpies électroniques à HeI, de seuil et à Etat Ionique Constant.
Locht, Robert mailto [Université de Liège - ULg > Chimie > Laboratoire de Dynamique Moléculaire > >]
Dehareng, Dominique mailto [Université de Liège - ULg > > Centre d'ingénierie des protéines >]
Leyh, Bernard mailto [Université de Liège - ULg > Département de chimie (sciences) > Laboratoire de dynamique moléculaire >]
2012
Journal of Physics : B Atomic Molecular & Optical Physics
Institute of Physics
45
11
115101
Yes (verified by ORBi)
International
0953-4075
Bristol
United Kingdom
[en] photoelectron spectroscopy ; 1,1-C2H2F2 ; synchrotron radiation ; ab initio calculations ; vibrational excitation ; electronic excited states ; autoionization ; conical intersections ; avoided crossings
[en] The threshold photoelectron spectrum (TPES) and the constant ion state (CIS) spectra of the individual ionic states of 1,1-C2H2F2 have been recorded using synchrotron radiation. The TPES has been measured between 9.5 eV and 28 eV photon energy. For comparison the HeI photoelectron spectrum (HeI-PES) has also been measured and analyzed in detail. Numerous vibrational structures, reported for the first time, observed in the ground state and the seven excited states of the cation are analyzed. Quantum chemical calculations have been performed and provided support to the assignments. The exceptional contribution of autoionization to the HeI PES could be emphasized. State selected CIS spectra highlighted the importance of the autoionizing contribution to the production of almost all ionized states of 1,1-C2H2F2 observed in this work. Several peculiarities of the vibrationally resolved CIS spectra are analyzed.
Molecular Dynamics Laboratory
Belgian Fonds de la Recherche Fondamentale Collective - FRFC, European Union by HPRI-1999CT-00028 and RII3 CT-2004-506008
Researchers
http://hdl.handle.net/2268/123830
10.1088/0953-4075/45/11/115101
PDF-version of Editor's Postprint available on request
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