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A state-to-state dynamics analysis for the Li+HF(v=0,j=0)→LiF(v’,j’)+H collision reaction has been performed through quasiclassical trajectory(QCT)calculations.It is found that the differential cross section(DCS)of the LiF products from the title reaction is preferentially backward scattering for v=0,yet forward scattering for v=1 and 2.For v=3,the DCS exhibits forward,backward,and sideways scatterings.The variation of the internuclear distances and angles along the propagation time reveals that more than 99.08%of reaction trajectories undergo the direct reaction mechanism.The values of the polarization parameters a{1}1and a{2}0demonstrate that the product rotational angular moment j’ is not only aligned perpendicular to the reagent relative velocity vector,but also oriented along the negative y axis.These product polarization results agree well with the recent quantum mechanical studies.The mechanism of these results was proposed and discussed in detail.
A state-to-state dynamics analysis for the Li + HF (v = 0, j = 0) → LiF (v ’, j’) + H collision reaction has been performed through quasiclassical trajectory (QCT) calculations. the differential cross section (DCS) of the LiF products from the title reaction is preferentially backward scattering for v = 0, yet forward scattering for v = 1 and 2. For v = 3, the DCS exhibits forward, backward, and sideways scatterings. The variation of the internuclear distances and angles along the propagation time reveals that more than 99.08% of reaction trajectories undergo the direct reaction mechanism. The values of the polarization parameters a {1} 1 and a {2} 0demonstrate that the product rotational angular moment j ’is not only aligned perpendicular to the reagent relative velocity vector, but also oriented along the negative y axis. The product product of the results agree well with the recent quantum mechanical studies. the mechanism of these results was proposed and discussed in detail.