高等学校化学学报

高等学校化学学报 ›› 1990, Vol. 11 ›› Issue (9): 972.

• 研究论文 • 上一篇    下一篇

六氟乙烷分解成氟甲基及其逆反应的A因子和活化能的计算

董顺乐, 丁世良, 邓从豪   

  1. 1. 山东大学物理系;
    2. 山东大学化学系
  • 收稿日期:1989-01-12 出版日期:1990-09-24 发布日期:1990-09-24
  • 通讯作者: 丁世良, 250100

Calculation of A Factors and Activation Energies for the Fission of Hexafluoroethane into Fluoromethyls and Its Reverse Reaction

Dong Shunle, Ding Shiliang, Deng Conghao   

  1. 1. Department of Physics, Shandong University, Jinan;
    2. Department of Chemistry, Shandong University, Jinan
  • Received:1989-01-12 Online:1990-09-24 Published:1990-09-24

PDF (PC)

被引次数

1

摘要： 采用半经典统计方法对过渡态的临界键长进行了具体计算,利用这些结果计算了CF3+CF3C2F6反应的指数前因子和活化能,计算结果与实验值相当符合。

关键词: 配分函数, 临界键长, 键级

Abstract: Semiclassical statistics was used to calculate the critical bond lengths and the results obtained were used to calculate Arrhenius parameters for the reaction CF3+CF3C2F6. The values obtained are in agreement with the experimental results.

Key words: Partition function, Critical bond length, Bond order

TrendMD: