物理化学学报 >> 1990, Vol. 6 >> Issue (03): 354-359.doi: 10.3866/PKU.WHXB19900320

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用过渡态理论研究O(3P)原子和酮类分子反应速率常数

陈从香; 陈开奇   

  1. 中国科学技术大学近代化学系,合肥
  • 收稿日期:1988-10-17 修回日期:1989-04-27 发布日期:1990-06-15
  • 通讯作者: 陈从香

The Extrapolation of Rate Constants for Reaction of O(3P) with Ketones Using Transition-State Theory

Chen Cong-Xiang; Chen Kai-Qi   

  1. Department of Modern Chemistry, Univeristy of Science Technology of China, Hefei
  • Received:1988-10-17 Revised:1989-04-27 Published:1990-06-15
  • Contact: Chen Cong-Xiang

Abstract: Conventional transition-state theory is used for extrapolating rate constant of reactions of O(~3P) atom with ketones to temperature range 200—2000 K. Estimations of structural properties of the activated complex necessary for calculating free energy of activation are presented. Expressions of the rate constant with three parameters are derived. These are as follows (unit: cm~(-3)·molecule~(-1)·s~(-1)).
k=5.34×10~(-20)T~(2.96)exp (-12.4/RT) (for butanone)
k=6.64×10~(-19)T~(2.67)exp (-14.1/RT) (for 3-pentanone)
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