| Oxidative removal of quinclorac by permanganate through a rate-limiting [3+2] cycloaddition reaction | |
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
 |
| ISSN | 2050-7887 |
| 2018-05-01 | |
| 卷号 | 20期号:5页码:790-797 |
| 关键词 | TRANSFORMATION PRODUCTS REACTION-KINETICS POTASSIUM-PERMANGANATE LEPORINUS-OBTUSIDENS MASS-SPECTROMETRY WATER-TREATMENT BY-PRODUCTS DEGRADATION HERBICIDES CHLORINATION |
| 研究领域 | Chemistry ; Environmental Sciences & Ecology |
| DOI | 10.1039/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 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://ir.yic.ac.cn/handle/133337/24472 |
| 专题 | 中国科学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 中国科学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 7714 | Song, 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. |
| APA | Song, 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. |
| MLA | Song, 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. |
| 条目包含的文件 | 下载所有文件 | |||||
| 文件名称/大小 | 文献类型 | 版本类型 | 开放类型 | 使用许可 | ||
| Oxidative removal of（1457KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | 浏览 下载 | |
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。
修改评论