在氨 - 碰撞中,振动能量转移
Jérôme Loreau1, Ad van der Avoird2
1KU Leuven, Department of Chemistry, B-3001 Leuven, Belgium. jerome.loreau@kuleuven.be.
氨的振动放松是氨的振动放松.
科学领域:
- 化学物理 化学物理
- 分子碰撞分子碰撞
- 天体化学是天体化学.
背景情况:
- 氨的旋转能量转移得到了很好的研究.
- 氨的振动放松是鲜为人知的.
- 在天体物理环境中观察到氨的雨模式转换.
研究的目的:
- 调查氨的雨模式的振动放松.
- 检查与原子的碰撞.
- 计算过渡的横截面和速率系数.
主要方法:
- 使用了密切合方法.
- 采用一个初始的潜在能量表面.
- 计算的截面高达1500厘米-1和速率系数高达300K.
主要成果:
- 振动放松效率低于旋转逆转放松.
- 振动放松的速率系数随着温度的增加而增加.
- 由于道挖掘分裂,观察到旋转-反转过渡的差异.
结论:
- 对氨的振动放松是低效的.
- 温度显著影响振动放松率.
- 道挖掘分裂影响了旋转-反转过渡.
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