Structural Characterization of Chemical Warfare Agent Degradation Products in Decontamination Solutions with Proton Band-Selective 1H−31P NMR Spectroscopy

摘要

Decontamination solutions, which are usually composednof strong alkaline chemicals, are used for efficient detoxifincation of chemical warfare agents (CWAs). The analysis onCWA degradation products directly in decontaminationnsolutions is challenging due to the nature of the matrixnFurthermore, occasionally an unforeseen degradation pathnway can result in degradation products which could beneluded to in standard analyses. Here, we present the resultsnof the application of proton band-selective 1H 31P NMRnspectroscopy, i.e., band-selective 1D 1H 31P heteronnuclear single quantum coherence (HSQC) and bandnselective 2D 1H 31P HSQC-total correlation spectrosconpy (TOCSY), for ester side chain characterization onorganophosphorus nerve agent degradation products inndecontamination solutions. The viability of the approachnis demonstrated with a testmixture of typical degradationnproducts of nerve agents sarin, soman, and VX. Thenproton band-selective 1H 31P NMR spectroscopy is alsonapplied in characterization of unusual degradation prodnucts of VX in GDS 2000 solution.