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

作者：Chen, Jiawu; Liu, Xinguo^*; Zhang, Qinggang

来源：Canadian Journal of Chemistry, 2012, 90(3): 256-261.

DOI：10.1139/V11-156

• vector correlation
• quasi-classical trajectory (QCT)
• stereodynamics
• rotational excitation
• polarization-dependent differential cross sections

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 Martinez-Millan-Gonzalez (MMG) surface. The three angular distributions P(theta(r)), P(phi(r)), and P(theta(r),phi(r)), 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.

• 出版日期2012-3
• 单位山东师范大学