Acta Phys. -Chim. Sin. ›› 1999, Vol. 15 ›› Issue (11): 1045-1048.doi: 10.3866/PKU.WHXB19991117

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A Quasiclassical Trajectory Study for Reaction of Chlorine with Propane

Zhang Tian-Li, Xu Li-Jin, Yan Ji-Min, Kong Fan-Ao   

  1. Institute of Chenistry,Chinese Academy of Sciences,Beijing 100080
  • Received:1998-12-31 Revised:1999-04-29 Published:1999-11-15
  • Contact: Yan Ji-Min

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Abstract:

The reaction of •Cl+CH(CH3)2•CH(CH3)2+HCl was studied by a 3 atom quasiclassical trajectory calculation. The results indicate that the angular distribution of HCl molecule does not show apparent anisotropy, and HCl is in the vibrationally ground state and the first excited state. The reaction trajectories show that a short lived collision complex is formed during the reaction process, so the angular distribution of product molecule does not show some intense scattering direction.

Key words: Quasiclassical trajectory calculation, Propne, Collision complex