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Citation: Chen Cong-Xiang, Chen Kai-Qi. The Extrapolation of Rate Constants for Reaction of O(³P) with Ketones Using Transition-State Theory[J]. Acta Physico-Chimica Sinica, ;1990, 6(03): 354-359. doi: 10.3866/PKU.WHXB19900320 shu

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

1.
Department of Modern Chemistry, Univeristy of Science Technology of China, Hefei

Received Date: 17 October 1988
Available Online: 15 June 1990

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

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通讯作者: 陈斌, bchen63@163.com

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