Acta Chimica Sinica ›› 1995, Vol. 53 ›› Issue (11): 1054-1059. Previous Articles     Next Articles

Original Articles

I+HI'(v)→IH(v')+I'反应几率振荡行为的量子散射理论研究

蔡政亭;赵显;邓从豪   

  1. 山东大学理论化学研究室
  • 发布日期:1995-11-15

Study on the oscillatory behaviour of the reaction probability for the I+HI'(v)→IH(v')+I' system using by quantum scattering theory

CAI ZHENGTING;ZHAO XIAN;DENG CONGHAO   

  • Published:1995-11-15

In present paper, quantum scattering theory is used to study the oscillatory behaviour of the reaction probabilities for I+HI'(v)→ IH(v')+I' system based on vibrationally adiabatic analysis, where the diatomic interaction potential and vibrational eigenstates are the accurate solution of the Morse oscillator. Employing distributed Gaussian bases (DGB) to expand the vibrational eigenfunctions of the Morse oscillator in calculations for reaction probabilities, the calculation method becomes efficiently simplifies. The results show that the reaction probabilities at low collision energies oscillate very rapidly but they oscillate much more slowly at higher collision energies. The reaction mechanism is also discussed.

Key words: REACTION MECHANISM

CLC Number: