1. Molecular-beam scattering and pressure broadening cross sections for the acetylene-neon system.
- Author
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Thibault, F., Cappelletti, D., Pirani, F., Blanquet, G., and Bartolomei, M.
- Subjects
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MOLECULAR beams , *SCATTERING (Physics) , *SPECTRUM analysis , *TEMPERATURE , *MOLECULAR dynamics - 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. [ABSTRACT FROM AUTHOR]
- Published
- 2007
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