Effect of reagent rotation on bimolecular collisions: H + H2(j)
β Scribed by Catherine A. Boonenberg; Howard R. Mayne
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 347 KB
- Volume
- 108
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Classical trajectory c~cu~ations on fi + H&3 reactions have been carried out. At few collision ener$es the reaction cross section decreases for smnU j. reaching 3 minimum at j = 4, then increases as j increases. It isdso shown rbat rhe isotopic branching ratio is fairly sensitive xo reagent rotation.
π SIMILAR VOLUMES
The moderately exotherrnic ion-molecule reaction O+ t Hz and its isotopic variants have been the subject of several dynamical studies in our group. In this work we report an extensive quasiclassical trajectory study on the dynamics of this system at different initial relative energies considering a
Coupled channel calculations of integral cross sections for rotational and vibrational escitation of Hz(X' "3 by collsion with Li+ are reported for 1.2 eV in the cm. system employing an ab initio potential energy surface and numerical vibration-rotation functions of the Kotos-Wolniewicz potehtial fu
me dynamic Rsnner effect is shown to permit formation of CH : in its first excited ('B i) state from low energy colli-~10x1s of Cc + HZ. The consequences for C++ Hz radlatwe association are dxxussed. ' We thank Professor Schaefer for permission to reproduce fig 4 of ref. [Z]