14 research outputs found
Experimental and theoretical CO2âHe pressure broadening cross sections
International audienc
Line mixing effects in the
Line mixing effects have been studied in the band of perturbed by
helium. Theoretical absorption coefficients are compared to FTIR
measurements, which were made at room temperature for helium pressure
from 1 atm up to 90 atm. The observed strong modifications with respect
to additive Lorentzian contributions are explained by line coupling
effects. The Infinite Order Sudden Approximation and the Energy Corrected
Sudden Approximation are used in order to account for these effects. The
latter gives better agreement: it rather successfully predicts the band
shape and the linewidths
Infrared spectroscopy of (CO2)N nanoparticles (30<N<14500) flowing in a uniform supersonic expansion
International audienc
Uniform Supersonic Expansion for FTIR Absorption Spectroscopy: The Μ5 Band of (NO)2 at 26 K
International audienc
Energy corrected sudden calculations of linewidths and line shapes based on coupled states cross sections: The test case of CO2âargon
The accuracy of the energy-corrected sudden (ECS) formalism for line shape calculations is investigated, using coupled states calculation for CO2âAr collisions on the recently developed âsingle repulsionâ potential of Hutson et al. [J. Chem. Phys. 107, 1824 (1997); 105, 9130 (1996)]. Inelastic cross sections Ï0(Lâ0,E)âĄQâČL(E) are calculated using the MOLSCAT program, and then averaged over MaxwellâBoltzmann kinetic energy distributions to give the thermally averaged âbasic ratesâ QâČL(T) needed in the ECS formalism. The ECS linewidths for low initial J, Jiâ©œ16, are sensitive only to the low-L basic rates, for which the CS calculations are converged; comparing them with directly calculated CS linewidths thus gives a stringent test of the ECS model, and it works well (within 10%). However, for higher Ji lines and for band shape calculations, basic rates for higher L are needed for convergence. These are obtained by an extrapolation procedure based on experimental data, using an exponential power law and the adiabaticity factor recently suggested by Bonamy et al. [J. Chem. Phys. 95, 3361 (1991)] ECS calculations using the resulting basic rates are designated âextrapolated CS-ECS calculations,â and are found to give accurate results for high-Jlinewidths, for near-wing absorption and for band profiles over a very wide range of perturber pressures (up to 1000 atm)
Shifting and broadening in the fundamental band of CO highly diluted in He and Ar: A comparison with theory
International audienc