Product polarization on the 3A" electronic state in the H plus FO reaction and its isotope variant

被引:15
作者
Han, Boran [1 ]
Zong, Fujian [1 ]
Wang, Chunlei [1 ]
Ma, Wanyong [2 ]
Zhou, Jianhua [2 ]
机构
[1] Shandong Univ, Sch Phys, Jinan 250100, Peoples R China
[2] Shandong Inst Light Ind, Sch Chem Engn, Jinan 250353, Peoples R China
关键词
Product polarization; Stereodynamics; QCT; Alignment; POTENTIAL-ENERGY SURFACE; CHEMICAL-REACTION DYNAMICS; ROTATIONAL POLARIZATION; TRANSITION-STATE; BIMOLECULAR REACTIONS; ALIGNING MOLECULES; SCATTERING-ANGLE; STEREODYNAMICS; ALIGNMENT; QUANTUM;
D O I
10.1016/j.chemphys.2010.06.028
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The quasi-classical trajectory calculations are carried out for the title reactions on a recent-developed accurate potential energy surface of the triplet 1(3)A '' state to gain insight into the alignment and the orientation of the product molecules. The three angular distributions, P(theta(r)), P(Phi(r)) and P(theta(r), Phi(r)) with theta(r), Phi(r) being the polar angles of the product angular momentum, and the four commonly-used polarization-dependent differential cross sections, d sigma(00)/d omega(t), d sigma(20)/d omega(t), d sigma(22)+/d omega(t) and d sigma(21) /d omega(t) with omega(t) being the polar coordinates of the product velocity omega', are calculated in the center-of-mass frame. Influences of the collision energy and of the isotope mass on the product polarization are shown and discussed. (C) 2010 Elsevier B.V. All rights reserved.
引用
收藏
页码:94 / 98
页数:5
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