Classical Trajectory Calculations of the Scattering of TlF on Ar in Thermal Beams
- 15 April 1971
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 54 (8) , 3249-3262
- https://doi.org/10.1063/1.1675337
Abstract
With the method of classical mechanics a statistical number of trajectories is calculated for thermal collisions of TlF on Ar. Two potential models developed in a previous paper have been used. Because of the absence of out‐of‐plane scattering the calculations are restricted to two‐dimensional collisions. Total and differential cross sections are evaluated for initial rotational states and in the range of relative velocities between 150 m/sec and 800 m/sec. Because of the high frequency of inelastic collisions and the important part played by orbiting collisions measurements of the cross sections are incompatible with the determination of potential parameters in the manner customary for atomic scattering. The effects of the various dynamical processes which dominate in the collisions can be followed in differential measurements. Two types of orbiting can be distinguished, one with weak and one with strong coupling between rotational and orbital angular momenta. In both types the attraction by permanent induction forces prevails, because the asymmetric potential favors an approach of argon from the fluorine side of the molecule.
Keywords
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