Q-branch linewidths of N2 perturbed by H2: experiments and quantum calculations from an ab initio potential. - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Chemical Physics Année : 2007

Q-branch linewidths of N2 perturbed by H2: experiments and quantum calculations from an ab initio potential.

Résumé

In this work the authors present an experimental and theoretical study about the Q-branch lines' broadening coefficients of N2 perturbed by H2. Experimental values for these parameters have been obtained at 440 and 580 K, and quantum calculations have been performed using a new ab initio potential energy surface, obtained by quantum chemistry methods. The results of these calculations are compared to experimental data obtained previously at 77 and 298 K [L. Gomez et al., Mol. Phys. 104, 1869 (2006)] and to the present measurements. A satisfactory agreement is obtained for the whole range of temperatures used in the experiments.

Domaines

Biophysique
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Dates et versions

hal-00908228 , version 1 (22-11-2013)

Identifiants

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Laura Gómez, Raúl Z Martínez, Dionisio Bermejo, Franck Thibault, Pierre Joubert, et al.. Q-branch linewidths of N2 perturbed by H2: experiments and quantum calculations from an ab initio potential.. Journal of Chemical Physics, 2007, 126 (20), pp.204302. ⟨10.1063/1.2731789⟩. ⟨hal-00908228⟩
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