An analytical expression is derived to estimate how much parent rotational energy is carried over to the fragment rotation when a molecule is dissociated. The model is based on the classical treatment of rotational motion, by which the effect can be estimated separately from other sources of rotatio
The role of fragment rotation in the femtosecond dissociation of ICN
β Scribed by Yifei Wang; Charkes X.W. Qian
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 733 KB
- Volume
- 219
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Semiclassical calculations were carried out on a new set of potential energy surfaces to study the ICN femtosecond dissociation dynamics. In particular, the dissociation times as functions of the CN rotational quantum number .Z of both the I*(2P,,2) and I(2Ps,z) channels were calculated. Our calculations demonstrate that these classical rotationally resolved dissociation times are sensitive probes of the dissociation dynamics. Based on our calculations, it can be concluded that the nonadiabatic interactions as well as multisurface excitation are the main reasons for the strong CN rotational dependence of the dissociation times, as it was observed by Zewail and co-workers.
π SIMILAR VOLUMES
We have carried out classical trajectory calculations on the dissociative chemisorption of Hs(0, j) on Ni( 100). Above threshold, the results are found to be in good agreement with a recent mixed quantum-classical treatment. We fmd that rotational effects in direct chemisorption reactions can be exp
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