大气中HCO+和COH+异构体的动力学研究

• 作 者: 谢洪平 陈泽琴 蒋刚 杨迎春 郭莉萍 张静 朱正和
• 机 构: 四川师范学院化学系!南充637002,四川师范学院化学系!南充637002,四川大学原子与分子科学研究所!610065,四川师范学院化学系!南充637002,重庆石油高等专科学校石油工程系,重庆师范专
• 出 处: 原子与分子物理学报
• 发表日期: 2000年04期
• 关键词: 分子反应动力学 平行络合反应 HCO+ COH+

使用经典轨迹法研究了离子型平行络合反应H+( 1Sg) +CO (X 1Σ+,V =0 ,1;J =0 )→HCO+(X1Σ+)或COH+(X1Σ+)。该两反应均无阈能 ,络合物寿命较短 ,一般为 7.0× 10 - 12 sec左右 ,有效络合反应能区较窄。当CO(X1Σ+)的V =0时 ,HCO+(X1Σ+)有相对较宽的优势产物区 ,电负性和能量是决定优势产物的主要因素 ;当CO(X1Σ+)的V =1时 ,COH+(X1Σ+)有相对较窄的优势产物区 ,角动量是主要因素。

The ion-type parallel complex reaction H + (1Sg) + CO (X 1Σ +, V = 0, 1; J = 0) → HCO + (X1Σ +) or COH + (X1Σ +) was studied by classical trajectory method. The two reactions have no threshold energy, the life of complex is short, usually 7.0 × 10 - 12 sec or so, the effective energy of complexing reaction is narrow. When CO (X1Σ +) is V = 0, HCO + (X1Σ +) has a relatively wide dominant product region. Electronegativity and energy are the main factors that determine dominant products. When CO (X1Σ +) is V = 1 , COH + (X1Σ +) has a relatively narrow region of dominant products, angular momentum is the main factor.