| Autor: |
Bulanin, Michael O., Kerl, Klaus, Padilla, Antonio, Hernández, Antonio Calvo |
| Zdroj: |
Physical Chemistry Chemical Physics (PCCP); January 2, 2003, Vol. 5 Issue: 2 p285-293, 9p |
| Abstrakt: |
The fundamental bandshape of HCl diluted in fluid SF6 has been studied in the temperature range 283340 K at two constant densities of the solvent. It is found that the previously developed quasi-free rotor theory realistically reproduces the experimental band area-normalized intensity distribution in the band wings, but overestimates intensity near the maxima of the P- and R-branches. A concept of a potential barrier hindering rotation of the solute molecules is introduced and a new modified-rotor version of the spectral theory is formulated, which takes into account depopulation of the lower-energy rotational states. We show that the modified-rotor theory significantly improves agreement with the experiment. The rotationally-hindered contribution to the bandshape is separated from the measured spectral profiles and its temperature and density dependence is discussed. |
| Databáze: |
Supplemental Index |
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