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首页> 外文期刊>Environmental Science & Technology >Monofluorinated Analogues of Polybrominated Diphenyl Ethers as Analytical Standards:Synthesis,NMR,and GC-MS Characterization and Molecular Orbital Studies
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Monofluorinated Analogues of Polybrominated Diphenyl Ethers as Analytical Standards:Synthesis,NMR,and GC-MS Characterization and Molecular Orbital Studies

机译：多溴联苯醚的单氟化类似物作为分析标准：合成，NMR，GC-MS表征和分子轨道研究

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摘要

Polybrominated diphenyl ethers (PBDEs),a group of 209 individual congeners distinguishable by the number and position of bromines,are produced for use as flame retardants in consumer goods.PBDEs have become ubiquitous environmental contaminants,present in increasing levels in the environment and humans.In the present study,10 individual monofluorinated analogues of PBDEs (F-PBDEs)and one difluorinated PBDE (FF-PBDE)were synthesized and characterized,and their gas chromatographic (GC)and mass spectrometric (MS)characteristics determined.The synthesis method utilized a nucleophilic reaction of bromophenols with diphenyliodonium salts and the perbromination of fluorosubstituted diphenyl ethers.Reaction yields were between 10% and 59% with >98% purity.Apart from the aromatic ring carrying the fluorine atom,only minor chemical nuclear magnetic resonance (NMR)shift changes were observed in comparison to the corresponding parent PBDEs,with the exception that the J_(F,H)coupling was stronger.Our preliminary data show that F-PBDEs and PBDEs have comparable retention times in gas chromatography with F-PBDEs demonstrating in general shorter or identical retention times,depending on the pattern of fluorine substitution.We also calculated the torsion angles and the dipole moments for both and report that there is a good correlation between GC retention times and the torsion angles but not with dipole moments.In MS,the difference of the ion peaks of the F-PBDE/ PBDE pairs is m/z 19 (F),which allows a simultaneous MS detection without separation.On the basis of GC.
机译：多溴联苯醚（PBDEs）是由209个不同的溴的种类和位置区分的同类产品，被用作消费品中的阻燃剂。PBDEs已成为普遍存在的环境污染物，在环境和人类中的含量不断增加。本研究合成并表征了10种PBDEs（F-PBDEs）的单氟类似物和1种二氟PBDEs（FF-PBDE）的特点，并确定了它们的气相色谱（GC）和质谱（MS）特征。溴酚与二苯基碘鎓盐的亲核反应和氟取代的二苯醚的全溴化反应，反应收率在10％至5​​9％之间，纯度> 98％。除带有氟原子的芳环外，仅进行较小的化学核磁共振（NMR）与相应的母体PBDEs相比，观察到位移变化，但J_（F，H）耦合更强。我们的初步数据表明，F-PBDEs和PBDEs在气相色谱中的保留时间相当，而F-PBDEs的保留时间通常较短或相同，这取决于氟取代的模式。我们还计算了两者的扭转角和偶极矩并报告了GC保留时间与扭转角之间有很好的相关性，但与偶极矩无关。在MS中，F-PBDE / PBDE对的离子峰之差为m / z 19（F），这使得无需分离即可同时进行MS检测基于GC。

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  • 来源
    《Environmental Science & Technology》 |2006年第9期|p.3023-3029|共7页
  • 作者

    GREGOR LUTHE; PIM E.G.LEONARDS; GABY S.REIJERINK; HULING LIU; JON E.JOHANSEN;

  • 作者单位

    Institute of Chemistry,Norwegian University of Science and Technology,N-7041 Trondheim,Norway,RIVO,Netherlands Institute for Fisheries Research,IJmuiden,The Netherlands,CHIRON AS,Stiklestadveien 1,N-7041 Trondheim,Norway,and Department of Occupationa;

    Institute of Chemistry,Norwegian University of Science and Technology,N-7041 Trondheim,Norway,RIVO,Netherlands Institute for Fisheries Research,IJmuiden,The Netherlands,CHIRON AS,Stiklestadveien 1,N-7041 Trondheim,Norway,and Department of Occupationa;

    Institute of Chemistry,Norwegian University of Science and Technology,N-7041 Trondheim,Norway,RIVO,Netherlands Institute for Fisheries Research,IJmuiden,The Netherlands,CHIRON AS,Stiklestadveien 1,N-7041 Trondheim,Norway,and Department of Occupationa;

    Institute of Chemistry,Norwegian University of Science and Technology,N-7041 Trondheim,Norway,RIVO,Netherlands Institute for Fisheries Research,IJmuiden,The Netherlands,CHIRON AS,Stiklestadveien 1,N-7041 Trondheim,Norway,and Department of Occupationa;

    Institute of Chemistry,Norwegian University of Science and Technology,N-7041 Trondheim,Norway,RIVO,Netherlands Institute for Fisheries Research,IJmuiden,The Netherlands,CHIRON AS,Stiklestadveien 1,N-7041 Trondheim,Norway,and Department of Occupationa;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
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  • 正文语种 eng
  • 中图分类 环境化学;
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