Investigation on the Gas-Phase Decomposition of Trichlorfon by GC-MS and Theoretical Calculation
文献类型： 外文期刊
作者： Jiang, Kezhi 1 ; Zhang, Ningwen 1 ; Zhang, Hu 2 ; Wang, Jianmei 2 ; Qian, Mingrong 2 ;
作者机构： 1.Hangzhou Normal Univ, Key Lab Organosilicon Chem & Mat Technol, Hangzhou, Zhejiang, Peoples R China
2.Zhejiang Acad Agr Sci, Inst Qual & Stand Agroprod, MOA Key Lab Pesticide Residue Detect, Hangzhou, Zhejiang, Peoples R China
期刊名称：PLOS ONE （ 影响因子：3.24； 五年影响因子：3.788 ）
ISSN： 1932-6203
年卷期： 2015 年 10 卷 4 期
页码：
收录情况： SCI
摘要： The gas phase pyrolysis of trichlorfon was investigated by the on-line gas chromatography mass spectrometry (GC-MS) pyrolysis and theoretical calculations. Two reaction channels were proposed in the pyrolytic reaction, by analyzing the detected pyrolytic products in the total ion chromatography, including 2,2,2-trichloroacetaldehyde, dimethyl phosphite, and dichlorvos. Theoretical calculations showed that there is an intramolecular hydrogen bond between the hydroxyl group and the phosphate O atom in trichlorfon, through which the hydroxyl H atom can be easily transferred to phosphate O atom to trigger two pyrolytic channels. In path-a, migration of H atom results in direct decomposition of trichlorfon to give 2,2,2-trichloroacetaldehyde and dimethyl phosphite in one step. In path-b, migration of H atom in trichlorfon is combined with formation of the O-P bond to give an intermediate, followed by HCl elimination to afford dichlorvos. Path-a is kinetically more favorable than path-b, which is consistent with the GC-MS results.
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