Abstract An analysis of reaction products for the reaction of E,E-2,4-hexadienal with chlorine atoms (Cl) and OH and NO 3 radicals has been carried out at the first time with the aim of obtaining a better understanding of the tropospheric reactivity of α,β-unsaturated carbonyl compounds. Fourier Transform Infrared (FTIR) spectroscopy and Gas Chromatography-Mass Spectrometry with a Time of Flight detector (GC-TOFMS) were used to carry out the qualitative and/or quantitative analyses. Reaction products in gas and particulate phase were observed from the reactions of E,E-2,4- hexadienal with all oxidants. E/Z-Butenedial and maleic anhydride were the main products identified in gas phase. E-butenedial calculated molar yield ranging from 4 to 10%. A significant amount of multifunctional compounds (chloro and hydroxy carbonyls) was identified. These compounds could be formed in particulate phase explaining the ∼90% of unaccounted carbon in gas phase. The reaction with Cl atoms in the presence of NOx with a long reaction time gave Peroxy Acetyl Nitrate (PAN) as an additional product, which is known for being an important specie in the generation of the photochemical smog. Nitrated compounds were the major organic products from the reaction with the NO 3 radical. Based on the identified products, the reaction mechanisms have been proposed. In these mechanisms a double bond addition of the atmospheric oxidant at C4/C5 of E,E-2,4-hexadienal is the first step for tropospheric degradation.

中文翻译：

---

E,E-2,4-己二烯醛与大气氧化剂的气相反应形成的反应产物分析：反应机理和大气影响

摘要 首次对 E,E-2,4-己二烯醛与氯原子 (Cl) 和 OH 和 NO 3 自由基反应的反应产物进行了分析，以期更好地了解对流层α,β-不饱和羰基化合物的反应性。傅里叶变换红外 (FTIR) 光谱和带有飞行时间检测器的气相色谱-质谱 (GC-TOFMS) 用于进行定性和/或定量分析。从E,E-2,4-己二烯醛与所有氧化剂的反应中观察到气相和颗粒相的反应产物。E/Z-丁烯二醛和马来酸酐是气相中确定的主要产品。计算的正丁烯醛摩尔产率为 4% 至 10%。鉴定出大量的多功能化合物（氯和羟基羰基）。这些化合物可以在颗粒相中形成，这解释了气相中约 90% 的未计碳。在 NOx 存在下与 Cl 原子反应，反应时间长，生成了过氧乙酰硝酸酯 (PAN) 作为附加产物，它是产生光化学烟雾的重要物质。硝化化合物是与NO 3 自由基反应的主要有机产物。根据鉴定的产物，提出了反应机理。在这些机制中，大气氧化剂在 E,E-2,4-己二烯醛的 C4/C5 处的双键加成是对流层降解的第一步。在 NOx 存在下与 Cl 原子反应，反应时间长，生成了过氧乙酰硝酸酯 (PAN) 作为附加产物，它是产生光化学烟雾的重要物质。硝化化合物是与NO 3 自由基反应的主要有机产物。根据鉴定的产物，提出了反应机理。在这些机制中，大气氧化剂在 E,E-2,4-己二烯醛的 C4/C5 处的双键加成是对流层降解的第一步。在 NOx 存在下与 Cl 原子反应，反应时间长，生成了过氧乙酰硝酸酯 (PAN) 作为附加产物，它是产生光化学烟雾的重要物质。硝化化合物是与NO 3 自由基反应的主要有机产物。根据鉴定的产物，提出了反应机理。在这些机制中，大气氧化剂在 E,E-2,4-己二烯醛的 C4/C5 处的双键加成是对流层降解的第一步。