Song, Dean; Cheng, Hanyang; Jiang, Xiaohua; Sun, Huiqing; Kong, Fanyu; Liang, Rongning
; Qiang, Zhimin; Liu, Huijuan; Qu, Jiuhui发表期刊ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS
ISSN2050-7887
2018-05-01
卷号20期号:5页码:790-797
关键词TRANSFORMATION PRODUCTSREACTION-KINETICSPOTASSIUM-PERMANGANATELEPORINUS-OBTUSIDENSMASS-SPECTROMETRYWATER-TREATMENTBY-PRODUCTSDEGRADATIONHERBICIDESCHLORINATION
研究领域Chemistry; Environmental Sciences & Ecology
DOI10.1039/c8em00024g
产权排序[Song, Dean; Sun, Huiqing; Kong, Fanyu] Chinese Acad Agr Sci, Tobacco Res Inst, State Agr Minist Lab Qual & Safety Risk Assessmen, Qingdao 266101, Peoples R China; [Song, Dean; Jiang, Xiaohua; Liang, Rongning] Chinese Acad Sci, Yantai Inst Coastal Zone Res, Key Lab Coastal Environm Proc & Ecol Remediat, Yantai 264003, Peoples R China; [Cheng, Hanyang; Qiang, Zhimin; Liu, Huijuan; Qu, Jiuhui] Chinese Acad Sci, Res Ctr Ecoenvironm Sci, Key Lab Drinking Water Sci & Technol, Beijing 100085, Peoples R China
作者部门海岸带环境过程实验室
英文摘要Quinclorac, a widely used herbicide in agriculture, has been recognized as an emerging environmental pollutant owing to its long persistence and potential risk to humans. However, no related information is available on the degradation of quinclorac by employing oxidants. Herein, the reactivity of quinclorac with permanganate was systematically investigated in water by combining experimental and computational approaches. The reaction followed overall second-order kinetics pointing to a bimolecular rate-limiting step. The second-order rate constant was found to be 3.47 10 3 M 1 s 1 at 25 C, which was independent of pH over the range from 5 to 9 and was dependent on temperature over the range from 19 to 35 C. The initial product was identified by UPLC-Q-TOF-MS to be monohydroxylated quinclorac, which was more susceptible to further oxidation. The result could be supported by the complete simulation of the reaction process in DFT calculations, indicating the [3 + 2] cycloaddition oxidation of the benzene ring in the rate-limiting step. The plausible mechanism was then proposed, accompanied by the analysis of the HOMO indicating the hydroxylation position and of the ESP suggesting a more electron-rich moiety. Considering the high effectiveness and low toxicity, permanganate oxidation was considered to be a very promising technique for removing quinclorac from aquatic environments.
文章类型Article
资助机构Agricultural Science and Technology Innovation Program [ASTIPTRIC06]; Science and Technology Project of Yantai [2014ZH086]; Youth Innovation Promotion Association of CAS [2014190]; National Natural Science Foundation of China [41576106]; Qingdao Postdoctoral Application Research Project [2016105]
收录类别SCI
语种英语
关键词[WOS]TRANSFORMATION PRODUCTS; REACTION-KINETICS; POTASSIUM-PERMANGANATE; LEPORINUS-OBTUSIDENS; MASS-SPECTROMETRY; WATER-TREATMENT; BY-PRODUCTS; DEGRADATION; HERBICIDES; CHLORINATION
研究领域[WOS]Chemistry, Analytical; Environmental Sciences
WOS记录号WOS:000433191900007
引用统计被引频次：7[WOS][WOS记录][WOS相关记录]
文献类型期刊论文
条目标识符http://ir.yic.ac.cnhttp://ir.yic.ac.cn/handle/133337/24472
专题中科院海岸带环境过程与生态修复重点实验室_海岸带环境过程实验室
中科院海岸带环境过程与生态修复重点实验室
作者单位1.Chinese Acad Agr Sci, Tobacco Res Inst, State Agr Minist Lab Qual & Safety Risk Assessmen, Qingdao 266101, Peoples R China;
2.Chinese Acad Sci, Yantai Inst Coastal Zone Res, Key Lab Coastal Environm Proc & Ecol Remediat, Yantai 264003, Peoples R China;
3.Chinese Acad Sci, Res Ctr Ecoenvironm Sci, Key Lab Drinking Water Sci & Technol, Beijing 100085, Peoples R China
推荐引用方式
GB/T 7714Song, Dean,Cheng, Hanyang,Jiang, Xiaohua,et al. Oxidative removal of quinclorac by permanganate through a rate-limiting [3+2] cycloaddition reaction[J]. ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS,2018,20(5):790-797.
APASong, Dean.,Cheng, Hanyang.,Jiang, Xiaohua.,Sun, Huiqing.,Kong, Fanyu.,...&Qu, Jiuhui.(2018).Oxidative removal of quinclorac by permanganate through a rate-limiting [3+2] cycloaddition reaction.ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS,20(5),790-797.
MLASong, Dean,et al."Oxidative removal of quinclorac by permanganate through a rate-limiting [3+2] cycloaddition reaction".ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS 20.5(2018):790-797.
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