Reference : Photoelectron Spectroscopy of Vinyl Bromide and Intramolecular Dynamics of the ionic ...
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Chemistry
Photoelectron Spectroscopy of Vinyl Bromide and Intramolecular Dynamics of the ionic B state.
[fr] La spectroscopie photoélectronique du Bromure de Vinyle et la dynamique intramoléculaire de l'état ionique B.
Hoxha, A. [ > > ]
Locht, Robert mailto [Université de Liège - ULiège > Département de Chimie (Faculté des sciences) > Laboratoire de Dynamique Moléculaire (Sciences) > >]
Leyh, Bernard mailto [Université de Liège - ULiège > Département de chimie (sciences) > Laboratoire de dynamique moléculaire >]
Dehareng, Dominique mailto [Université de Liège - ULiège > > Centre d'ingénierie des protéines >]
Hottmann, K. [ > > ]
Baumgärtel, H. [Freie Universität Berlin > > Institut für Physikalische Chemie > >]
Chemical Physics
Elsevier Science
Yes (verified by ORBi)
The Netherlands
[en] He(I)-PES ; TPES ; Ab initio calculations ; Conical intersection ; C2H3Br
[en] In this paper we report the He(I) photoelectron spectrum (PES) and the threshold photoelectron spectrum (TPES) of C2H3Br. The fine structure in the first two ionic states in the He(I) spectrum is assigned to progressions belonging partially to previously unobserved vibrational modes. The TPES has been measured between 9.0 and 25.0 eV, and the photon energy range of 9.8-12.0 eV has been investigated in more detail. Extensive calculations with the GAUSSIAN set of programs have been performed to help in the assignment of the observed features. Furthermore, a conical intersection between the A2A" and the B2A" states was found to take place along the C-Br stretching coordinate. Intramolecular dynamics of the B2A" state, initially prepared in the Franck-Condon region, was probed by the Fourier transform of the spectrum. The B2A" state is almost readily depleted, most probably due to a very effective internal cnversion through the conical intersection.
Laboratoire de Dynamique Moléculaire
FRFC, ARC, EU Contract n° ERBFMGE-CT97-0123 in EU-TMR Programme
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