Influence of Isotope Effects on Product Polarizations of N(2D)+D2, N(2D)+H2 and N(2D) plus HD Reactive Systems

被引：0
作者：
Nie Shan-shan [1 ]
Chu Tian-shu [1 ,2 ]
机构：
[1] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
[2] Qingdao Univ, Inst Computat Sci & Engn, Lab New Fiber Mat & Modern Text, Growing Base State Key Lab, Qingdao 266071, Peoples R China
来源：
CHEMICAL RESEARCH IN CHINESE UNIVERSITIES | 2012年 / 28卷 / 05期
基金：
中国国家自然科学基金;
关键词：
Isotope effect; Product polarization; Quasi-classical trajectory calculation; Potential energy surface; POTENTIAL-ENERGY SURFACE; INITIATED BIMOLECULAR REACTIONS; QUANTUM WAVE-PACKET; ROTATIONAL POLARIZATION; TRANSITION-STATE; CROSS-SECTIONS; DYNAMICS; ALIGNMENT; STEREODYNAMICS; N(2(2)D);
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
To figure out the influence of isotope effect on product polarizations of the N(D-2)+D-2 reactive system and its isotope variants, quasi-classical trajectory(QCT) calculation was performed on Ho's potential energy surface(PES) of (2)A '' state. Product polarizations such as product distributions of P(theta(r)), P(phi(r)) and P(theta(r),phi(r)), as well as the generalized polarization-dependent differential cross sections(PDDCSs) were discussed and compared in detail among the four product channels of the title reactions. Both the intermolecular and intramolecular isotope effects were proved to be influential on product polarizations.
引用
收藏
页码：897 / 902
页数：6
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