Calculation of state-resolved cross sections for the N2(X1Σg+)+O(3P) system
作者： Han Luo , Marat Kulakhmetov , Alina Alexeenko
DOI: 10.1063/1.4967657
关键词: Potential energy surface 、 Reaction mechanism 、 Dissociation (chemistry) 、 Inelastic collision 、 Quantum 、 Energy exchange 、 Chemistry 、 Atomic physics 、 Dissociation reaction
摘要: Theoretical study of N2(X1Σg+)+O(3P) system is conducted in this work. The cross sections and rates for N2 + O → NO N exchange 2N dissociation reactions are calculated by Quasi-classical trajectory (QCT) method based on the 3A′′ ab-initio potential energy surface Gamallo et al. [J. Chem. Phys. 119, 2545 (2003)]. thermal up to 20,000 K considered 23 eV. results show vibrational favoring reaction mechanism switches from at limit. In addition, it found small quantum transitions favored internal-translational state-resolved inelastic collision sections.
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