NO ((A2Σ+) + CO2的不弹性散射:旋转-旋转对相关的差异横截面
Joseph G Leng1, Thomas R Sharples1, Martin Fournier1
1Institute of Chemical Sciences, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh, EH14 4AS, UK. m.l.costen@hw.ac.uk.
Faraday discussions
|May 17, 2024
概括
用CO2进行NO(A) 散射的差异横截面显示前向峰值散射和显著的旋转激发. 没有旋转的彩虹表明,电子火可以消除低冲击碰撞.
科学领域:
- 化学物理 化学物理
- 分子散射 分子散射
- 频谱学是一种光谱学.
背景情况:
- 了解分子碰撞对于化学反应动态至关重要.
- 氧化 (NO) 在其激发的A2状态是大气和燃烧化学中的关键物种.
- 二氧化碳 (CO2) 是各种化学环境中普遍存在的分子.
研究的目的:
- 为了研究与CO2的NO2Σ+,v=0,j=0.5的旋转不弹性散射的差异横截面 (DCS).
- 为了确定NO的最终旋转状态和CO2的最终旋转能量.
- 阐明散射动态和潜在能量表面的作用.
主要方法:
- 使用交叉光束速度映射离子成像装置.
- 测量DCS作为NO最终旋转状态 (N') 和CO2最终旋转能量的函数.
- 使用PNO-CCSD(T) -F12b理论进行了初始的潜在能量表面计算.
主要成果:
- 对于所有最终NO状态 (N) 的DCS中,主导作用是前向峰值散射.
- 观察到CO2的显著旋转激发,以及一个小的向后分散的峰值.
- 没有观察到旋转彩虹散射,产品旋转角运动量极化最小.
结论:
- 无旋转彩虹散射的原因是低冲击参数碰撞的电子火.
- 高冲击参数碰撞会经历异型吸引力,导致两个分子的显著旋转激发.
- 这些力使产物角动量去极化,并导致前后光散射.
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