Monte Carlo trajectories: Alignment of HBr rotational angular momentum as a function of scattering angle for the reaction H+Br2→HBr+Br

A new quasiclassical‐trajectory Legendre moment method is applied to calculate the expectation values of several angular‐momentum quantities as functions of scattering angle ϑ for the reaction H+Br2→HBr+Br for a relative translational temperature of 2800 °K. The calculated differential cross section is backward peaked. The strongest alignments found are (J′z)2/(J′)2=0.62 at ϑ=135°, (J′z′)2/(J′)2=0.67 at ϑ=100°, and (J′x)2/(J′)2=0.63 at ϑ=95°, where J′ is the magnitude of HBr rotational angular momentum, the z and z′ axes are in the directions of the initial and final relative velocities, and the x axis is perpendicular to the z axis and in the plane of the z and z′ axes. Although the average value of L′/(L′+J′), where L′ is the orbital angular momentum of relative motion, is 0.70, the results differ from statistical‐model predictions for the limiting case where L′≳≳J′.

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