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Electron scattering from trans 1,3-butadiene molecule: cross-sections, oscillator strength and VUV photoabsorption cross-sections

  • Heloisa Maria Boechat-Roberty
  • Elmar O. Uhl
  • Flavio N. Rodrigues
  • Maria Cristina A. Lopes
  • Maria Luiza M. Rocco
  • Carlos A. Lucas
  • Alexandre B. Rocha
  • Carlos E. Bielschowsky
  • Gerardo Gerson B. de Souza
Regular Article

Abstract

Electron energy-loss spectra for the butadiene molecule were measured in the scattering angular range of 2.0° to 8.0°, in an energy-loss range from 2 to 50 eV, using 1000 eV incident electrons. The absolute generalized oscillator strength (GOS) and inelastic cross section have been determined for the \hbox{$\tilde{\rm X}^{1}$}˜X1A g  → 11B u transition. The absolute elastic differential cross section was also determined spanning an angular range from 2.0° to 40.0°. From a small angle electron energy-loss spectrum, the optical oscillator distribution (photoabsorption spectrum) for the butadiene molecule was obtained in the 2 to 100 eV photon energy range. Accurate ab initio calculations have been performed, within the First Born Approximation, for generalized oscillator strength (GOS) and excitation energies for the \hbox{$\tilde{\rm X}^{1}$}˜X1A g  → 11B u and \hbox{$\tilde{\rm X}^{1}$}˜X1A g  → 21A g transitions. Our results emphasize the importance of using highly correlated wavefunctions and accurate methodologies in the calculation of the GOS for electron impact-induced electronic transitions in molecules.

Keywords

Molecular Physics and Chemical Physics 

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Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2013

Authors and Affiliations

  • Heloisa Maria Boechat-Roberty
    • 1
  • Elmar O. Uhl
    • 2
  • Flavio N. Rodrigues
    • 2
    • 5
  • Maria Cristina A. Lopes
    • 3
  • Maria Luiza M. Rocco
    • 2
  • Carlos A. Lucas
    • 4
  • Alexandre B. Rocha
    • 2
  • Carlos E. Bielschowsky
    • 2
  • Gerardo Gerson B. de Souza
    • 2
  1. 1.Observatorio do Valongo, Universidade Federal do Rio de JaneiroRio de JanieroBrazil
  2. 2.Instituto de Quimica, Universidade Federal do Rio de JaneiroRio de JanieroBrazil
  3. 3.Departamento de Fisica, Universidade Federal de Juiz de ForaJuiz de ForaBrazil
  4. 4.Instituto de Quimica, Universidade Federal FluminenseNiteróiBrazil
  5. 5.Instituto Federal de Educação, Ciência e TecnologiaRio de JaneiroBrazil

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