The effect of vibrational excitation of the reaction O(³P) + HCl → OH + Cl for the ³A″ electronic states

Using the quasi-classical trajectory (QCT) method, this paper has explored the product rotational polarization for the reaction O(³P) + HCl → OH + Cl on the ³A″ potential energy surface constructed by Ramachandran B et al. (Ramachandran B et al., J. Chem. Phys. 119: 9590, 2003). The distributions of product polarization P(θ_r), P(φ_r) and the generalized polarization-dependent differential cross-sections (2π/σ)(dσ₀₀/dω_t) and (2π/σ)(dσ₂₂₊/dω_t) have been calculated. The results indicate that the vibrational excitation of HCl has a considerable influence on the distribution of the k-j′ correlation and the k-k′-j′ correlation.