TY - JOUR

T1 - Monte Carlo trajectories

T2 - Alignment of HBr rotational angular momentum as a function of scattering angle for the reaction H+Br2←HBr+Br

AU - Blais, Normand C.

AU - Truhlar, Donald G.

PY - 1977/1/1

Y1 - 1977/1/1

N2 - 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′.

AB - 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′.

UR - http://www.scopus.com/inward/record.url?scp=36749114266&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=36749114266&partnerID=8YFLogxK

U2 - 10.1063/1.434983

DO - 10.1063/1.434983

M3 - Article

AN - SCOPUS:36749114266

VL - 67

SP - 1540

EP - 1546

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 4

ER -