The possibility of reactive scattering resonances in collinear (H-, H2) collisions is examined by computing the transition state spectra obtained by Fourier transforming temporal autocorrelation functions for wavepackets placed initially in the transition state region of the ab initio potential ener
A proposed mechanism for resonances in H+H2 collisions
β Scribed by J.G. Muga; R.D. Levine
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 506 KB
- Volume
- 162
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
H +Hz collisions at higher impact parameters can result in the trajectory being deflected towards a collinear Ha configuration by the long range barrier to the insertion mechanism. When the H2 molecule is stretched, this trajectory will be temporarily trapped within a well about the collinear configuration. Samples of 3-D classical trajectories computed on the SLTH potential provide examples of collisions with long delay times which result from this trapping. The higher-b mechanism may be responsible for the resonances seen in the Nieh and Valentini experiment. If so, these resonances are primarily sensitive to the details of the H, potential at longer range (RH_n2 > 3.5 au) for a stretched Hz molecule (rnl > 2 au) and sideways approach.
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