A semiclassical study is carried out for the threedimensional reaction H" + Dz -HD\* + D, which invo:vcs an electronic transition from the pound to the first excited singlet state of the Hi system. The potential energ surfaces corresponding to the two singlet states exhibit an avoided intersection,
Three-dimensional quantal study of favored rotational polarization in H + D2→HD + D
✍ Scribed by C.R. Klein; S.H. Suck Salk
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 421 KB
- Volume
- 125
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The single-channel perturbation formalism utihzing the expansion of transition amplitudes in terms of the transferred angular momentum 1 and its proJection m is shown to be useful for studying the cause of favored rotational polarizations in atom-diatomic molecular reactive scattering processes.
📜 SIMILAR VOLUMES
A time-dependent quantum dynamics calculation is reported for the O(nD)+ H 2 reaction in three dimensions. Total (final state summed) reaction probabilities, cross sections and rate constants for the title reaction are presented in this study using the potential energy surface of Schinke and Lester
Simple "half-collision" classical trajectories on model potential surfaces show that the lack of leaving-atom isotope effects on initial rotational state distributions P(N) in reactions of the type M\*+H2 (HD) -+MH( v, N) +H (D) would result from decomposition of H-M-H( D) intermediates on anisotrop