原子—分子离子反应N＇＋NH~＋（0，0）→N＋N＇H~＋（υ＇，j＇）的研究  

The Study on the Atom and Molecule-Ion Reaction N'+ NH￣+(0,0)→N+N'H￣+(υ',j')

作　　者：单敏华[1] 朱正和[1] 许宗荣[1] 俞华根 

机构地区：[1]成都科技大学原子分子物理所

出　　处：《Chinese Journal of Chemical Physics》1995年第4期291-295,共5页化学物理学报（英文）

基　　金：国家自然科学基金

摘　　要：由多体项展式法导出（ＮＮＨ）＾＋分子离子绵势能函数，用准经典轨线法研究了原子－分子离子反应Ｎ′＋ＮＨ＾＋（０，０）→Ｎ＋Ｎ′Ｈ＾＋（ｖ′，ｊ′）。结果表明，该反应为热中性有阈能的直接交换反应，阈能约为４８ｋｃａｌ／ｍｏｌ。依据对势能面的分析合理地解析了反应机理。Abstract The analytical potentinl energy function of (NNH)￣+ has been derived using the many-body terms expansion and the atom and molecule-ion reaction N'+NH￣+(0,0)→N+N'H￣+ (u',j') has been investigated using the quasiclassical trajectory method. The reactive cross sections were evaluated and the results showed that this reaction is a direct exchange reaction with a threshold energy 48hcal/mol. Based on the potential surface analysis,the reaction mechanism has been explained successfully.

关 键 词：原子-分子离子 势能函数 反应机理 

分 类 号：O643.12[理学—物理化学]