Photoelectron Spectroscopy of Vinyl Bromide and Intramolecular Dynamics of the ionic B state.

Hoxha, A.; Locht, Robert; Leyh, Bernard; Dehareng, Dominique; Hottmann, K.; Baumgärtel, H.

doi:10.1016/S0301-0104(00)00052-5

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Photoelectron Spectroscopy of Vinyl Bromide and Intramolecular Dynamics of the ionic B state.

Hoxha, A.; Locht, Robert; Leyh, Bernard et al.

2000 • In Chemical Physics, 256, p. 239-249

Peer Reviewed verified by ORBi

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https://hdl.handle.net/2268/926

DOI
10.1016/S0301-0104(00)00052-5

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Keywords :

He(I)-PES; TPES; Ab initio calculations; Conical intersection; C2H3Br

Abstract :

[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.

Research Center/Unit :

Laboratoire de Dynamique Moléculaire

Disciplines :

Chemistry

Author, co-author :

Hoxha, A.

Locht, Robert ; Université de Liège - ULiège > Département de Chimie (Faculté des sciences) > Laboratoire de Dynamique Moléculaire (Sciences)

Leyh, Bernard ; Université de Liège - ULiège > Département de chimie (sciences) > Laboratoire de dynamique moléculaire

Dehareng, Dominique ; Université de Liège - ULiège > Centre d'ingénierie des protéines

Hottmann, K.

Baumgärtel, H.; Freie Universität Berlin > Institut für Physikalische Chemie

Language :

English

Title :

Photoelectron Spectroscopy of Vinyl Bromide and Intramolecular Dynamics of the ionic B state.

Alternative titles :

[fr] La spectroscopie photoélectronique du Bromure de Vinyle et la dynamique intramoléculaire de l'état ionique B.

Publication date :

2000

Journal title :

Chemical Physics

ISSN :

0301-0104

Publisher :

Elsevier Science, Amsterdam, Netherlands

Volume :

256

Pages :

239-249

Peer reviewed :

Peer Reviewed verified by ORBi

Additional URL :

http://www.sciencedirect.com/science/journal/03010104

Funders :

FRFC, ARC, EU Contract n° ERBFMGE-CT97-0123 in EU-TMR Programme

Commentary :

- PDF-version of Editor's Postprint available on request - Version-pdf du tiré-à-part disponible sur demande

Available on ORBi :

since 12 November 2008

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