Acta Phys. -Chim. Sin. ›› 1990, Vol. 6 ›› Issue (03): 354-359.doi: 10.3866/PKU.WHXB19900320

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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
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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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