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《化学分析计量》 2019年增刊
DOI:10.3969/j.issn.1008-6145.2019.z1.003
5 种甲氧基多溴联苯醚的羟基化产物测定及反应机理分析
薛伟锋12,贺舒文1,曹文军1,侯辰侠1,刘东言1,刘水琳1,马玉良1,姜婷婷1
1. 大连出入境检验检疫局检验检疫技术中心,大连 116600; 2. 大连理工大学环境学院,大连 116100 
Detection of hydroxylated products of five MeO-PBDEs with hydroxyl radical and analysis of the reaction mechanism
XUE Weifeng1, 2, HE Shuwen1, CAO Wenjun1, HOU Chenxia1, LIU Dongyan1, LIU Shuilin1, MA Yuliang1, JIANG Tingting1
1. Inspection and Quarantine Technical Center of Dalian Entry-Exit Inspection and Quarantine Bureau, Dalian 116600, China;
2. School of Environmental Sciences & Technology, Dalian University of Technology, Dalian 116100, China 
摘要:测定天然水环境中检出的4’-MeO-BDE-17,5-MeO-BDE-47,5’-MeO-BDE-99,6-MeO-BDE-47 和6-MeOBDE-85 5 种甲氧基多溴联苯醚(MeO-PBDEs) 与羟基自由基( · OH) 反应的羟基化产物(HO-MeO-PBDEs)。采用实验检测与量子化学计算相结合的方法推测出可能生成的HO-MeO-PBDEs 产物。5 种MeO-PBDEs 与· OH 反应的产物中,只在5-MeO-BDE-47 溶液中检出一种HO-MeO-PBDEs 产物,来源于5-MeO-BDE-47 的· OH 加成反应,量子化学计算预测该产物可能为5-MeO-5’-HO-BDE-47,其余4 种MeO-PBDEs 溶液中均未检出HO-MeO-PBDEs 产物。甲氧基和溴取代模式可以显著影响MeO-PBDEs 生成HO-MeO-PBDEs 产物。  
Abstract:Five MeO-PBDEs including 4'-MeO-BDE-17, 5-MeO-BDE-47, 5'-MeO-BDE-99, 6-MeO-BDE-47 and 6-MeO-BDE-85 were selected to detect their hydroxylated products (HO-MeO-PBDEs) in the reaction with hydroxyl radical ( · OH). HO-MeO-PBDEs were deduced by experimental detection combined with quantum chemical computation methods. Among five MeO-PBDEs, only one HO-MeO-PBDEs product was detected for 5-MeO-BDE-47 arising from ·OH addition, which was hypothesized to be 5-MeO-5'-HO-BDE-47 by quantum chemical computation. No HO-MeO-PBDEs products can be detected for other four MeO-PBDEs. The generation of HO-MeO-PBDEs products between MeO-PBDEs and · OH is susceptible to substitution patterns of bromine andmethoxyl substituent of MeO-PBDEs.  
关键词:甲氧基多溴联苯醚;羟基自由基;羟基化产物 
Keywords:methoxylated polybrominated diphenyl ethers; hydroxyl radical; hydroxylated products 
基金:辽宁省自然科学基金面上项目(20170540025) 
本文引用格式:
薛伟锋,贺舒文,曹文军,等. 5 种甲氧基多溴联苯醚的羟基化产物测定及反应机理分析[J]. 化学分析计量,2019,28(Z1):11-16.
XUE W F,HE S W,CAO W J,et al. Detection of hydroxylated products of five MeO-PBDEs with hydroxyl radical and analysis of the reaction mechanism[J]. Chemical analysis and meterage,2019,28(Z1):11-16. 

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2019年第03期
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