Oxidative removal of quinclorac by permanganate through a rate-limiting [3+2] cycloaddition reaction
文献类型：期刊论文
| 作者 | Qu, Jiuhui ; Liu, Huijuan; Qiang, Zhimin; Liang, Rongning; Kong, Fanyu; Sun, Huiqing; Jiang, Xiaohua; Cheng, Hanyang; Song, Dean
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| 刊名 | ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS
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| 出版日期 | 2018-05-01 |
| 卷号 | 20期号:5页码:790-797 |
| ISSN号 | 2050-7887 |
| 文献子类 | Article |
| 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. |
| 源URL | [http://ir.rcees.ac.cn/handle/311016/41396]  |
| 专题 | 生态环境研究中心_中国科学院饮用水科学与技术重点实验室 |
| 推荐引用方式 GB/T 7714 | Qu, Jiuhui,Liu, Huijuan,Qiang, Zhimin,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. |
| APA | Qu, Jiuhui.,Liu, Huijuan.,Qiang, Zhimin.,Liang, Rongning.,Kong, Fanyu.,...&Song, Dean.(2018).Oxidative removal of quinclorac by permanganate through a rate-limiting [3+2] cycloaddition reaction.ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS,20(5),790-797. |
| MLA | Qu, Jiuhui,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. |
入库方式： OAI收割
来源：生态环境研究中心
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