Oscillating reactivity in quasiclassical trajectory calculations for the reaction O(3P) + HC1 → OH + Cl
✍ Scribed by Avigdor Persky; Haya Kornweitz
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 438 KB
- Volume
- 127
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Strong oscillations
m the reactivity as a function of collision energy were found in collinear quasiclassical trajectory calculations for the reaction 0( 3 P)+ HCl( v = 0) + OH + Cl. Oscillations were also observed m 3D calculations for IICl( v = 0, J = 0) under the special conditions of near-zero impact parameters b and small and specific values of the azimuthal orientation angle &, the angle between the molecular axis of HCI and the mittal direction of the relative velocity vector. These oscillations were washed out when t9, and b were randomly selected from the appropriate ranges, and were not observed even for the reactive scattering in the angular ranges 170 to 180" and 175 to 180". * See also table 4 of ref. [ 1 l] in which a summary of the available results is given. ** Evaluated by Garrett et al. [ 12) from relative rates measured by Klein et al. [ 131 and other appropriate rate data.