应用扩展的LEPS势能面, 对处于高碰撞能零振动激发(Ec o l=54.18 kJ/mol, ν=0, j=0)和低碰撞能低振动激发(Ec o l=7.56 kJ/mol, ν=1, j=0)两种初始条件下的Sr+HF体系的竞争反应模式、定态分布函数Pν(b)以及反应碰撞能对产物SrF转动取向的影响进行了准经典轨线计算, 计算结果与实验结果及相关理论符合得很好, 且能给予实验以合理的动力学解释.
参考文献
| [1] | Cupta A,Perry D S,Zare R N.Comparison of ReagentTranslation and Vibration on the Dynamics of the Endothermic Reaction Sr+HF[J].J Chem Phys,1980,72(11):6 250. |
| [2] | Zhong R,Rakestraw D J,MeKendrick K G,et al.Comparison of the Ca+HF (DF) and Sr+HF(DF) Reaction Dynamics[J].J Chem Phys,1988,89(10):6 283. |
| [3] | Man C K,Ester R C.The Dynamics of the Reaction Sr+HF(v=1)→SrF+H:Effect of rotation[J].J Chem Phys,1981,75(6):2 779. |
| [4] | Teule J M,Mes J,Jassen M H M,et al.Laser-induced Fluorescencence Studies of Excited Sr Reactions,1.Sr(3P1)+HF[J].J Phys Chem,1998,A102:9 482. |
| [5] | Cai Mengqiu ,Li Zhang,Tang Biyu,et al.Quasiclassical Calculation of the Chemical Reaction Sr+HF[J].J Chem Phys,2000,255:283. |
| [6] | Han Keli ,He Guozhong ,Lou Nanquan .Effect of Location of Energy Barrier on the Product Alignment of Reaction A+BC[J].J Chem Phys,1996,105(19):8 699. |
| [7] | Torres-Filho A,Pruett J G.Sate-to-state Reaction Dynamics of HF(v=2) with Ba and Sr[J].J Chem Phys,1982,77 (2):740. |
| [8] | Huber K P,Herzberg G.Molecular Spectra and Molecular Structure [M].Constants of Diatomic Molecules IV,second ed.New York:Van Nortrand,1950. |
| [9] | Zare R N.Angular Momentum,Understanding Spatial Aspects in Chemistry and Physics[M].New York:Wiley,1988. |
上一张
下一张
上一张
下一张
计量
- 下载量()
- 访问量()
文章评分
- 您的评分：
-
10%
-
20%
-
30%
-
40%
-
50%