(3 + 1)-resonantly enhanced multiphoton ionization-photoelectron spectroscopy of the (3d-4s) supercomplex of acetylene: The geometry of the E state revisited through experiment and theory - Laboratoire Collisions Agrégats Réactivité - LCAR Accéder directement au contenu
Article Dans Une Revue Journal of Chemical Physics Année : 2003

(3 + 1)-resonantly enhanced multiphoton ionization-photoelectron spectroscopy of the (3d-4s) supercomplex of acetylene: The geometry of the E state revisited through experiment and theory

Résumé

(3 + 1)-resonance enhanced multiphoton ionization-photoelectron spectroscopy (REMPI-PES) has been carried out via various low vibrational levels of the D, F, and E states belonging to the (3d-4s) supercomplex of acetylene. The photoelectron analysis takes into account the Renner-Teller coupling occurring in the ion ground state. In the 74 500-76 500 cm-1 energy range, the coupling between the F Rydberg state and E valence state is strongly revealed through the photoelectron spectra. Moreover, the vibrational analysis of the REMPI-PES spectra enlighten the controversial geometry of the E valence state. They strongly indicate a planar trans-bent geometry of the E valence state, quantitatively confirmed by an ab initio study. This study confirms the tentative frequencies for the nu1 stretching mode (3307 cm-1 for C2H2+, 2572 cm-1 for C2D2+), as well as the frequencies for the bending mode: trans-nu4 (694 cm-1 for C2H2+, 586 cm-1 for C2D2+) and cis-nu5 (775 cm-1 for C2H2+, 569 cm-1 for C2D2+) of the cations.
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Dates et versions

hal-00005051 , version 1 (15-06-2005)

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Valérie Blanchet, S. Boyé, Sébastien Zamith, A. Campos, Bertrand Girard, et al.. (3 + 1)-resonantly enhanced multiphoton ionization-photoelectron spectroscopy of the (3d-4s) supercomplex of acetylene: The geometry of the E state revisited through experiment and theory. Journal of Chemical Physics, 2003, 119, pp.3751. ⟨10.1063/1.1589480⟩. ⟨hal-00005051⟩
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