Chin. Phys. B ›› 2012, Vol. 21 ›› Issue (12): 123402-123402.doi: 10.1088/1674-1056/21/12/123402
• ATOMIC AND MOLECULAR PHYSICS • 上一篇 下一篇
姜永超, 李桂霞, 史晓凤, 黄树来
Jiang Yong-Chao (姜永超), Li Gui-Xia (李桂霞), Shi Xiao-Feng (史晓凤), Huang Shu-Lai (黄树来)
摘要: The quasi-classical trajectory (QCT) method based on extended the London-Eyring-Polanyi-Sato potential energy surface is used to investigate the product vibrational distribution, angular distribution and angle resolved kinetic distribution of the reaction Ba+C3H7 Br→ BaBr+C3H7 at 2.58 kcal/mol. The calculated results show that the product BaBr vibrational distribution is quite hot, the vibrational population peaks are located at ν= 12, and the angular product distribution tends to backward scattering. The calculated angle resolved kinetic distribution shows that the kinetic distribution is obviously related to angle. The QCT results are always qualitatively acceptable and sometimes even quantitatively.
中图分类号: (Chemical reactions)