Experimental and theoretical CO2–He pressure broadening cross sections
2000
We
present experimental and theoretical results for the CO2–He 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 Maxwell–Boltzmann 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 radiation–matter 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.
Keywords:
- Correction
- Source
- Cite
- Save
- Machine Reading By IdeaReader
29
References
26
Citations
NaN
KQI