Experimental and theoretical CO2-Ar pressure-broadening cross sections andtheir temperature dependence

Citation
F. Thibault et al., Experimental and theoretical CO2-Ar pressure-broadening cross sections andtheir temperature dependence, PHYS CHEM P, 3(18), 2001, pp. 3924-3933
Citations number
55
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN journal
14639076 → ACNP
Volume
3
Issue
18
Year of publication
2001
Pages
3924 - 3933
Database
ISI
SICI code
1463-9076(20010915)3:18<3924:EATCPC>2.0.ZU;2-C
Abstract
Line broadening coefficients of the CO2-Ar fundamental nu (3) band are obta ined experimentally and theoretically for temperatures from 120 to 765 K. T he experimental results are obtained by Fourier-transform infrared spectros copy. Theoretical values are provided via quantum-mechanical (close couplin g and coupled states) approaches as well as semiclassical (improved Smith-G iraud-Cooper and Robert Bonamy) methods. The most up-to-date CO2-Ar ab init io intermolecular potential (J. M. Hutson, A. Ernesti, M. M. Law, C. F. Roc he and R. J. Wheatley, J. Chem. Phys., 1996,105, 9130) is employed for all calculations. For all the temperatures probed, theoretical values are found to be in a rather good agreement with experiment. In addition, the Raman Q (j) line broadening coefficients and the application of the random phase ap proximation are presented.