| Autor: |
Thibault, F., Calil, B., Boissoles, J., Launay, J. M. |
| Zdroj: |
Physical Chemistry Chemical Physics (PCCP); December 7, 2000, Vol. 2 Issue: 23 p5404-5410, 7p |
| Abstrakt: |
We present experimental and theoretical results for the CO2He pressure broadening coefficients. Linewidths have been measured for the ν3 bands of CO2 in helium baths from 123 to 760 K with a Fourier transform interferometer. Close coupling calculations were performed with the MOLCOL program and with the most recent available potential energy surface (PES) of Negri et al. (J. Chem. Phys., 1999, 111, 6439). Generalised pressure broadening cross sections were then deduced and averaged over MaxwellBoltzmann kinetic energy distributions to provide the thermally averaged linewidths. Theoretical calculations are in rather good agreement with the experimental data. In addition, we examine the effect of the radiationmatter interaction tensor order on the linewidths. Total inelastic cross sections obtained with the empirical PES of Beneventi et al. (J. Chem. Phys., 1988, 89, 4671) and with the ab initio PES of Yan et al. (J. Chem. Phys., 1998, 109, 10284) are also compared to those obtained with the ab initio PES of Negri et al. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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