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

F. Thibault, D. Cappelletti, F. Pirani, G. Blanquet, M. Bartolomei

Research output: Contribution to journalArticle

Abstract

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.
Original languageEnglish
Pages (from-to)337-344
Number of pages8
JournalEuropean physical journal. D
Volume44
Issue number2
DOIs
Publication statusPublished - 1 Aug 2007

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