Rotational energy transfer in H+H2(v) inelastic collisions
- 15 September 1984
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 81 (6) , 2684-2688
- https://doi.org/10.1063/1.447978
Abstract
Quasiclassical trajectory calculations have been carried out at translational energies between 0.2 and 0.8 eV on H+H2(v), v=1, 2, 3, using the accurate SLTH potential surface. Integral and differential cross sections are given for the lowest rotationally inelastic collision Δj=2. The mean polarization angle as a function of impact parameter for this same transition is also studied. It is found that the integral cross section reflects the shape of the repulsive part of the potential. The differential cross sections display rotational rainbows. In most cases these are of the ‘‘repulsive’’ type. However, for the v=3 at high T, the rainbows are of the ‘‘attractive’’ type. The polarization data is found not to be a good probe of the attractive well.Keywords
This publication has 34 references indexed in Scilit:
- Rotationally inelastic collisions studied by using model potential energy surfaces. 1. Polarization and rainbow effects and their dependence on the attractive wellThe Journal of Physical Chemistry, 1984
- Rotational energy transfer in collisions of internally excited molecules. Effect of initial conditions and potential energy surfaceThe Journal of Chemical Physics, 1983
- Rainbows in rotationally inelastic scattering: A comparative study of different model potential surfaces and dynamical approximationsThe Journal of Chemical Physics, 1982
- Classical two-dimensional model for rotational-vibrational atom–diatom inelastic scatteringThe Journal of Chemical Physics, 1982
- Rotational rainbows: An IOS study of rotational excitation of hard-shell moleculesThe Journal of Chemical Physics, 1981
- Quasiclassical trajectory studies of the H+H2 reaction on an accurate potential-energy surface. III. Comparison of rate constants and cross sections with experimentThe Journal of Chemical Physics, 1981
- Level to level differential cross sections for vibrationally–rotationally inelastic collisions of Na2 with ArThe Journal of Chemical Physics, 1981
- State-to-state differential cross sections for rotationally inelastic scattering of Na2 by HeThe Journal of Chemical Physics, 1980
- Functional representation of Liu and Siegbahn’s accurate a b i n i t i o potential energy calculations for H+H2The Journal of Chemical Physics, 1978
- Classical Study of Rotational Excitation of a Rigid Rotor: Li+ + H2The Journal of Chemical Physics, 1971