Stereodynamics study of the O+ + D2 (v=0, j=0-2) → OD+ + D reaction

被引：4

作者：

Chen, Jiawu ^{[1
]}

Liu, Xinguo ^{[1
]}

Zhang, Qinggang ^{[1
]}

机构：

[1] Shandong Normal Univ, Coll Phys & Elect, Jinan 250014, Shandong, Peoples R China

来源：

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 2012年 / 90卷 / 03期

基金：

中国国家自然科学基金;

关键词：

vector correlation; quasi-classical trajectory (QCT); stereodynamics; rotational excitation; polarization-dependent differential cross sections; PRODUCT ROTATIONAL POLARIZATION; ISOTOPIC VARIANTS; VECTOR CORRELATION; ALIGNMENT; DYNAMICS; ENERGY; MOLECULES;

D O I：

10.1139/V11-156

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：256 / 261

页数：6

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