紫外线照射下化学战剂VX液滴的光辅助反应。

Photoassisted reaction of chemical warfare agent VX droplets under UV light irradiation.

作者信息

Zuo Guo-Min, Cheng Zhen-Xing, Li Guo-Wen, Wang Lian-Yuan, Chen Hong

机构信息

The No. 3 Department, Institute of Chemical Defence, P.O. Box 1048, Beijing, 102205, China.

出版信息

J Phys Chem A. 2005 Aug 11;109(31):6912-8. doi: 10.1021/jp051904f.

DOI:10.1021/jp051904f

PMID:16834048

Abstract

A photoassisted reaction of O-ethyl S-[2-(diisopropylamino) ethyl] methylphosphonothioate (VX) droplets in air was carried out. The experimental results indicated that VX droplets could be easily and chemically transformed into other compounds under irradiation of a germicidal lamp over sufficient time. Quantum chemical calculation results demonstrated that UV light less than 278 nm wavelength could possibly initiate photoreaction of VX and that both P-S and P=O bonds in the VX molecule were lengthened. The identification of reaction products by gas and liquid chromatography mass spectroscopy and NMR revealed that the VX molecule in air under UV light irradiation could undergo isomerization of S-esters to O-esters, cleavage of P-S, S-C, and C-N bonds, and ozonation of tertiary amines.

摘要

进行了O-乙基-S-[2-(二异丙基氨基)乙基]甲基硫代膦酸酯（VX）液滴在空气中的光辅助反应。实验结果表明，在杀菌灯照射足够长的时间后，VX液滴能够容易地发生化学转化生成其他化合物。量子化学计算结果表明，波长小于278 nm的紫外光可能引发VX的光反应，并且VX分子中的P-S键和P=O键均被拉长。通过气相色谱-质谱联用仪和核磁共振对反应产物进行鉴定，结果显示在紫外光照射下，空气中的VX分子可发生S-酯向O-酯的异构化、P-S键、S-C键和C-N键的断裂以及叔胺的臭氧化反应。