The OH-initiated atmospheric chemical reactions of polyfluorinated dibenzofurans and polychlorinated dibenzofurans: A comparative theoretical study

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• 作者：Xiaolan Zeng^a ; ^b ; ¹ ; Jing Chen^a ; ¹ ; Ruijuan Qu^a ; Xiaoxue Pan^a ; Zunyao Wang^a ; ^{wangzy@nju.edu.cn}
• 关键词：Polyfluorinated dibenzofurans (PFDFs) ; Polychlorinated dibenzofurans (PCDFs) ; Atmospheric chemical reaction ; OH radical ; DFT calculation
• 刊名：Chemosphere
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：168
• 期：Complete
• 页码：10-17
• 全文大小：611 K
• 卷排序：168

文摘

Atmospheric oxidation reactions of PFDFs and PCDFs were studied theoretically. The OH addition reactions of PFDFs are comparable with those for PCDFs. The OH additions of PF(C)DFs become slower with higher fluorination or chlorination. The O2 addition reactions of PF(C)DF-OH adducts take place hardly. The main oxidation products for PFDFs and PCDFs are substituted dibenzofuranols.