Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Energy Flow and Bond Dissociation of Vibrationally Excited Toluene in Collisions with N2 and O2

  • Ree, Jongbaik (Department of Chemistry Education, Chonnam National University) ;
  • Kim, Sung Hee (Department of Chemistry Education, Chonnam National University) ;
  • Lee, Sang Kwon (Department of Chemistry Education, Chonnam National University)
  • Received : 2013.02.12
  • Accepted : 2013.02.26
  • Published : 2013.05.20
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Abstract

Energy flow and C-$H_{methyl}$ and C-$H_{ring}$ bond dissociations in vibrationally excited toluene in the collision with $N_2$ and $O_2$ have been studied by use of classical trajectory procedures. The energy lost by the vibrationally excited toluene upon collision is not large and it increases slowly with increasing total vibrational energy content between 5,000 and 45,000 $cm^{-1}$. Intermolecular energy transfer occurs via both of V-T and V-V transfers. Both of V-T and V-V transfers increase as the total vibrational energy of toluene increases. When the total energy content $E_T$ of toluene is sufficiently high, either C-H bond can dissociate. The C-$H_{methyl}$ dissociation probability is higher than the C-$H_{ring}$ dissociation probability, and that in the collision with $N_2$ is larger than with $O_2$.

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References

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