| Autor: |
Buser, Michael, Frommhold, Lothar, Gustafsson, Magnus, Moraldi, Massimo, Champagne, Mark H., Hunt, K. L. C. |
| Předmět: |
|
| Zdroj: |
Journal of Chemical Physics; 8/8/2004, Vol. 121 Issue 6, p2617-2621, 5p, 1 Chart, 4 Graphs |
| Abstrakt: |
Quantum line shape calculations of the rototranslational enhancement spectra of nitrogen-methane gaseous mixtures are reported. The calculations are based on a recent theoretical dipole function for interacting N2 and CH4 molecules, which accounts for the long-range induction mechanisms: multipolar inductions and dispersion force-induced dipoles. Multipolar induction alone was often found to approximate the actual dipole surfaces of pairs of interacting linear molecules reasonably well. However, in the case of the N2-CH4 pair, the absorption spectra calculated with such a dipole function still show a substantial intensity defect at the high frequencies (>250 cm-1) when compared to existing measurements at temperatures from 126 to 297 K, much as was previously reported. © 2004 American Institute of Physics. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
