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Photochemistry of 2,2-dichloroethanol: kinetics and mechanism of the reaction with Cl atoms and OH radicals.
Environmental Science: Processes & Impacts ( IF 5.5 ) Pub Date : 2020-01-21 , DOI: 10.1039/c9em00581a
Mads P Sulbaek Andersen 1 , Sofie A Hass , Kjertan Lyster , Mila Avetikyan , Timothy J Wallington , Ole J Nielsen
Affiliation  

Smog chamber/FTIR techniques were used to investigate the kinetics and mechanism of the Cl atom and OH radical initiated oxidation of 2,2-dichloroethanol at (296 ± 1) K. Relative rate methods were used to measure k(Cl + CHCl2CH2OH) = (5.87 ± 0.96) × 10-12 and k(OH + CHCl2CH2OH) = (5.54 ± 1.94) × 10-13 cm3 molecule-1 s-1. Chlorine atom initiated oxidation of CHCl2CH2OH in one atmosphere of air gives HCOCl, CHCl2CHO, and COCl2 in yields of (62 ± 5)%, (39 ± 10)%, and (8 ± 2)%, respectively. The rate constant k(Cl + CHCl2CHO) = (8.3 ± 16) × 10-12 cm3 molecule-1 s-1 was determined and the IR spectra of CHCl2CHO is reported for the first time. The atmospheric lifetime for CHCl2CH2OH is estimated as 21 days. The experimental results are discussed in the context of the atmospheric chemistry of chlorinated alcohols.

中文翻译:

2,2-二氯乙醇的光化学:与Cl原子和OH自由基反应的动力学和机理。

烟雾室/ FTIR技术用于研究Cl原子和OH自由基在(296±1)K下引发2,2-二氯乙醇氧化的动力学和机理。采用相对速率法测量k(Cl + CHCl2CH2OH)= (5.87±0.96)×10-12和k(OH + CHCl2CH2OH)=(5.54±1.94)×10-13 cm3分子-1 s-1。氯原子在一种大气中引发的CHCl2CH2OH氧化,生成的HCOCl,CHCl2CHO和COCl2的产率分别为(62±5)%,(39±10)%和(8±2)%。测定速率常数k(Cl + CHCl2CHO)=(8.3±16)×10-12 cm3分子-1 s-1,并首次报道CHCl2CHO的红外光谱。CHCl2CH2OH的大气寿命估计为21天。在氯化醇的大气化学中讨论了实验结果。
更新日期:2020-01-21
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