A dynamic threshold in the F + H2 → HF + H reaction as determined from three-dimensional quasi-classical-reverse trajectory calculations
✍ Scribed by Steven C. Leasure; Joel M. Bowman
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 606 KB
- Volume
- 39
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Quasi-classical dynamic threshold energies have been determined for two important reactive transitions in the F + H2 &action by performins estensive three-dimensional trajectory calculations for the corresponding reverse reactions. It is 'found that the energetic and dlynamic thresholds for the reaction F + Hz (u = 0, j) --) HF(u = 2, j = 6) + H are the same, whereas the latter threshold is approximately 0.08 eV greater than the former one fur the reaction F + Hz (Y = 0, J-) -, HF<u = 3, j=l) + H. These results are in good agreement with the corresponding semi-classical threshold results which are -also reported. The ieiationship of these quasi-classical-reverse results to experimentally measured quantities is discussed.