Influence of the collision energy and isotopic variant on the stereodynamics of reaction H plus BrF→HBr plus F

被引：5

作者：

Xu Yan ^{[1
]}

Zhao Juan ^{[1
]}

Wang Jun ^{[1
]}

Liu Fang ^{[1
]}

Meng Qing-Tian ^{[1
]}

机构：

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

来源：

ACTA PHYSICA SINICA | 2010年 / 59卷 / 06期

基金：

中国国家自然科学基金;

关键词：

vector correlation; collision energy; isotope effect; ALIGNMENT; DYNAMICS;

D O I：

10.7498/aps.59.3885

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Quasi-classical trajectory calculations are carried out for the exothermic reaction H + BrF -> HBr + F on the latest London-Eyring-Polanyi-Sato potential energy surface The product angular distributions which reflect the vector correlation are calculated Polarization dependent differential cross sections which are sensitive to many photoinitiated bimolecular reactions are presented in the center of mass frame The calculated results suggest that the product rotational polarization becomes stronger as collision energy increases and the products were mainly backward scatterred. By comparing the product polarization of reactions D + BrF -> DBr + F and H + BrF -> HBr + F, the isotope effects have also been revealed

引用

页码：3885 / 3891

页数：7

共 25 条

[11] Quasiclassical trajectory calculations for the reactions F+HCl, F+HBr, and F+HI [J].

Kornweitz, H ;

Persky, A .

JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (01) :140-145

[12] 3-DIMENSIONAL DIM-3C POTENTIAL-ENERGY SURFACES FOR THE REACTIONS H+XY AND X+HY (X,Y=F,CL,BR,I) [J].

LAST, I ;

BAER, M .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (07) :3246-3252

[13] Theoretical study of the stereodynamics of the reactions of D-+H2→H-+HD and H-+D2→D-+HD [J].

Li, Wen Liang ;

Wang, Mei Shan ;

Yang, Chuanlu ;

Liu, Wenwang ;

Sun, Chao ;

Ren, Tingqi .

CHEMICAL PHYSICS, 2007, 337 (1-3) :93-98

[14] Theoretical study of the stereo-dynamics of the reaction H plus FO → OH plus F [J].

Meng, Qingtian ;

Zhao, Juan ;

Xu, Yan ;

Yue, Daguang .

CHEMICAL PHYSICS, 2009, 362 (1-2) :65-70

[15] ORIENTATION AND ALIGNMENT OF REACTION-PRODUCTS [J].

ORREWING, AJ ;

ZARE, RN .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1994, 45 :315-366

[16] Quasiclassical trajectory study of the H+ClF→F+HCl, Cl+HF and F+HCl→Cl+HF reactions and their deuterium isotope variants on a new (2A′) ab initio potential energy surface [J].

Sayós, R ;

Hernando, J ;

Francia, R ;

González, M .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2000, 2 (04) :523-533

[17]

[沈光先 Shen GuangXian], 2008, [物理学报, Acta Physica Sinica], V57, P155

[18] Influence of He isotope on the differential cross section for He-NO collision system [J].

Wang Rong-Kai ;

Shen Guang-Xian ;

Song Xiao-Shu ;

Linghu Rong-Feng ;

Yang Xiang-Dong .

ACTA PHYSICA SINICA, 2008, 57 (07) :4138-4142

[19] Effect of the reagent vibration on stereodynamics of the reaction O(1D) plus HF→F plus OH [J].

Xu Yan ;

Zhao Juan ;

Yue Da-Guang ;

Liu Hao ;

Zheng Xiao-Yun ;

Meng Qing-Tian .

CHINESE PHYSICS B, 2009, 18 (12) :5308-5312

[20] Theoretical study on molecular reaction dynamics of the U plus CO system [J].

Xue, WD ;

Zhu, ZH ;

Ran, M ;

Wang, HY ;

Zou, LX ;

Sun, Y .

ACTA PHYSICA SINICA, 2002, 51 (11) :2503-2508

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