两体扰动势构造CO_2通道反应的三原子体系解析势

Analytic Potential of Three-Atom Interaction for Pathw ay Reaction of CO_2 Constructed by Perturbation Potential of Two-body

应用两体扰动势 ,成功地构造了线性三原子分子CO2 平衡态及通道反应的三原子体系相互作用解析势 .势函数不但定量地描述了CO2 平衡态的临界特性 ,而且势能面正确地描述了O(1D) +CO(X1Σ+ )→CO2 →C(3P) +O2 (X3Σ-g )通道反应的性质 .

Linear three-atom molecule CO2 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 CO2 equilibrium state, and the potential energy surface correctly describes the characters of pathway in O(D-1) + CO(X(1)Sigma(+))-->CO2-->C(P-3) + O-2(X(3)Sigma(g)(-)) reaction. The theoretical analysis is in good agreement with the experimental results.