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Article Dans Une Revue The European Physical Journal D : Atomic, molecular, optical and plasma physics Année : 2007

Molecular-beam scattering and pressure broadening cross sections for the acetylene-neon system

D. Cappelletti
  • Fonction : Auteur
F. Pirani
  • Fonction : Auteur
G. Blanquet
  • Fonction : Auteur
M. Bartolomei
  • Fonction : Auteur

Résumé

Integral cross sections and pressure broadening coefficients have been measured for the acetylene -- neon system by a molecular beam scattering technique and by high infrared resolution spectroscopy, respectively. We have performed quantal calculations using an ab-initio potential energy surface (PES) [J. Chem. Phys. 109, 8968 (1998)]. Results are found to be in good agreement with both measured integral cross sections and pressure broadening coefficients for the two temperatures investigated (173 and 298 K). We have also derived a semi-empirical PES parameterized using an atom-bond pairwise additive scheme. This PES shows an isotropic component in agreement with the ab-initio calculation, reproduces the scattering data but it only leads to a reasonable agreement for the pressure broadening coefficients.

Dates et versions

hal-00908292 , version 1 (22-11-2013)

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Citer

Franck Thibault, D. Cappelletti, F. Pirani, G. Blanquet, M. Bartolomei. Molecular-beam scattering and pressure broadening cross sections for the acetylene-neon system. The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2007, 44, pp.337-344. ⟨10.1140/EPJD/E2007-00180-Y⟩. ⟨hal-00908292⟩
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