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在存在氮氧化物的情况下,OH 自由基和 Cl 原子与甲基丙烯酸甲酯(CH2=C(CH3)C(O)OCH3)反应的产物和机制。

Products and mechanism of the reactions of OH radicals and Cl atoms with methyl methacrylate (CH2═C(CH3)C(O)OCH3) in the presence of NOx.

机构信息

INFIQC (CONICET- Facultad de Ciencias Químicas, Universidad Nacional de Córdoba) , Dpto. de Fisicoquímica, Ciudad Universitaria, 5000 Córdoba, Argentina.

出版信息

Environ Sci Technol. 2014;48(3):1692-9. doi: 10.1021/es404771d. Epub 2014 Jan 24.

Abstract

The OH radical and Cl atom initiated photodegradation of methyl methacrylate has been investigated in a 1080 L quartz-glass environmental chamber at 298 ± 2 K and atmospheric pressure of synthetic air using in situ FTIR spectroscopy to monitor the reactants and products. The major products observed in the OH reaction were methyl pyruvate (92 ± 16%) together with formaldehyde (87 ± 12%) as a coproduct from the C1-C2 bond cleavage channel of the intermediate 1,2-hydroxyalkoxy radical, formed by the addition of OH to the terminal carbon of the double bond which is designated C1. For the Cl atom reaction, the products identified were chloroacetone (41 ± 6%) together with its coproduct formaldehyde (35 ± 5%) and methyl pyruvate (24 ± 4%) together with its coproduct formylchloride (25 ± 4%). The results show that the fate of the intermediate 1,2-chloroalkoxy radical involves not only cleavage of the C1-C2 bond but also quite substantial cleavage of the C2-C3 bond. The present results are compared with previous studies of acrylates, showing different branching ratios for the OH and Cl addition reactions in the presence of NOx. Atmospheric implications are discussed.

摘要

在 298±2K 和大气压力下,使用原位 FTIR 光谱法在 1080L 石英玻璃环境室中研究了 OH 自由基和 Cl 原子引发的甲基丙烯酸甲酯的光降解反应,以监测反应物和产物。在 OH 反应中观察到的主要产物是甲基丙酮酸(92±16%),以及甲醛(87±12%),这是由 OH 加成到双键的末端碳原子形成的 1,2-羟基烷氧基自由基的 C1-C2 键断裂通道的副产物,该自由基被指定为 C1。对于 Cl 原子反应,鉴定出的产物是氯丙酮(41±6%)及其副产物甲醛(35±5%),以及甲基丙酮酸(24±4%)及其副产物甲酰氯(25±4%)。结果表明,中间 1,2-氯烷氧基自由基的命运不仅涉及 C1-C2 键的断裂,还涉及 C2-C3 键的相当大的断裂。将目前的结果与先前关于丙烯酸盐的研究进行比较,显示了在存在 NOx 的情况下,OH 和 Cl 加成反应的不同分支比。讨论了大气影响。

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