Stereodynamics study of the O + + D 2 (ν = 0, j = 0-2) → OD + + D reaction

The vector correlations between products and reagents for the ion-molecule reaction O + + D 2 → OD + + D with different rotational quantum numbers (j = 0, 1, or 2) were explored theoretically using the quasi-classical trajectory method (QCT) on a Martínez-Millán- González (MMG) surface. The three angular distributions P(θ r), P(ρr), and P(θ r,ρr), as well as four polarization-dependent differential cross sections (PDDCSs) were calculated. The results indicate that a reagent's rotational excitation greatly influences both the vector correlations of k-k′, k-j′, and k-k′-j′ and the PDDCSs of the title reaction, which means the reactivity is very sensitive to the rotational quantum number. © 2012 Published by NRC Research Press.