Acta Chimica Sinica ›› 2003, Vol. 61 ›› Issue (10): 1567-1571. Previous Articles     Next Articles

Original Articles

两体扰动势构造CO_2通道反应三原子体系解析势

王泽新;张晓明;乔青安;贾红英   

  1. 山东师范大学化学系
  • 发布日期:2003-10-15

Analytic Potential ofThree-Atom Interaction for Pathway Reaction of CO_2 Constructed by Perturbation Potential of Two-body

Wang Zexin;Zhang Xiaoming;Qiao Qingan;Jia Hongying   

  1. Department of Chemistry, Shandong Normal University
  • Published:2003-10-15

Linear three-atom molecule CO_2 equilibrium state and interaction analytic potential of the pathway reaction of three-atom system have been successfully constructed by using the two-body perturbation potential. The potential function quantitatively describes the critical characters of CO_2 equilibrium state, and the potential energy surface correctly describes the characters of pathway in O(~1D) + COCX~1Σ~+ )→CO_2→C(~3P) + O_2(X_3Σ_g~- ) reaction. The theoretical analysis is in good agreement with the experimental results.

Key words: CARBON DIOXIDE, POTENTIAL ENERGY SURFACES, OXYGEN

CLC Number: