在大气中氧化Hydroperoxy Amides的氧化
Eva R Kjærgaard1, Kristian H Møller1, Henrik G Kjaergaard1
1Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark.
由三级氨基氧化形成的氧化胺,转化为胺或更多的氧化形式. 它们的大气命运得到了澄清,揭示了由于它们的平面结构而导致的缓慢的单分子反应.
科学领域:
- 大气化学 大气化学
- 化学动力学 化学动力学
- 计算化学计算化学
背景情况:
- 氧胺是大气中三级胺自氧化的重要产物.
- 它们的形成机制比以太和硫化物中类似反应更快.
- 氧化胺的大气降解途径以前是未知的.
研究的目的:
- 为了研究氧化和二氧化胺的大气命运.
- 阐明这些由三甲基胺衍生的化合物的OH启动的氧化途径.
主要方法:
- 使用了高级理论计算.
- 研究了基 (OH) 启动的氧化机制.
- 在氧化物 (NO) 和氧基 (HO2) 主导的条件下分析了路径.
主要成果:
- 在NO丰富的条件下,OH启动的氧化主要产生伊米德.
- 在富含HO2的条件下,更多的高度氧化氧化胺被形成.
- 这些胺基的单分子反应出乎意料地缓慢,这是由于它们的平面结构.
结论:
- 这项研究阐明了氧化胺的大气转化.
- 产品的分布取决于大气激素的度 (NO和HO2).
- 氧胺的固有结构性质会影响它们的反应性.
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