Isotope effect in vibrational relaxation: inelastic scattering of df molecules via a model quantum treatment
✍ Scribed by F.A. Gianturco; U.T. Lamanna; F. Battaglia
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 396 KB
- Volume
- 73
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The spherIcal component of a mukpolar evpanslon for the HF-HF computed interaction is used in the present study to generate vlbratlonal coupbng and 1s then employed in a quantum mechanical, close-wuphng (cc) treatment of the scattermg process for Its isotopic variant. VibratIonally melastlc integral cross secuons are computed for the (0 -c 1) tranntlon as a function of colhslon energy and further used to generate rate constants and relaxation times. The correspondmg PT vaIues for the DF system turn out to be larger than those for HF, III accord urlth expenments, and also go through a maxunum at =lOOO K as found III measurements. The effect of lmer formatlon and of the model slmphficatlons on final results 1s discussed for the various temperature regons exammed.