The collision energy effect on the stereodynamics of the Ca + HCl→CaCl +H reaction

The stereodynamics of the reaction of Ca+HCl is calculated at three different collision energies based on the potential energy surface Verbockhaven G et al. 2005 J. Chem. Phys. 122 204307 by using the quasi-classical trajectory theory. The polarization-dependent differential cross sections (PDDCSs) (2π/σ)(dσ ₀₀/dω _t), (2π/σ)(dσ ₂₀/dω _t), (2π/σ)(dσ ₂₂₊/dω _t), (2π/σ)(dσ _21-/dω _t) and the distributions of P(θ_r), P(φ_r), and P(θ_r ,φ_r) are calculated. The results indicate that the rotational polarization of product CaCl presents different characteristics for the different collision energies and the effects of collision energy on the vector potential, including the alignment, orientation, and PDDCSs, are not obvious.