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

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 potent...

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Bibliographic Details
Published in:The Journal of chemical physics 2007-05, Vol.126 (20), p.204302-204302
Main Authors: Gómez, Laura, Martínez, Raúl Z, Bermejo, Dionisio, Thibault, Franck, Joubert, Pierre, Bussery-Honvault, Béatrice, Bonamy, Jeanine
Format: Article
Language:English
Subjects:
Biological Physics
Physics
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Summary: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.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.2731789