Photo-decontamination of chemical warfare dimethyl methylphosphonate, dimethyl phosphite, diethyl methylphosphonate, diethyl phosphite model molecules on Al and oxidized Al foils

Decontamination of organophosphorus chemical warfare nerve agents (CWNAs) is gaining importance for human security. Herein, we have employed a dry-photodecontamination method for CWNA model molecules of dimethyl methylphosphonate, dimethyl phosphite, diethyl methylphosphonate, and diethyl phosphite contaminated on aluminum (Al) and oxidized Al foils. For understanding their photo-degradation pathways, the photo decomposition secondary chemical products generated as a result of UVC-decontamination were fully examined for the contaminated Al and oxidized Al target areas in a closed reactor system by gas chromatography and mass spectrometry. Solid residues were also fully examined by X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy. Density functional theory at the B3LYP/6-31 G level was used for geometric optimization, and the electronic energy state calculation was conducted on the level of TD-SCF/B3LYP/6-31 G. The new results further deepen the photo-decomposition mechanism of CWNAs, the development of dry UV light photo-decontamination methods, and the treatment of secondary by-products.

Automated summary

In this study, a dry-photodecontamination method was employed to treat CWNA model molecules contaminated on aluminum and oxidized aluminum, deepening the understanding of the photo-decomposition mechanism of CWNAs. The research also investigated the characterization of solid residues and electronic energy state calculation, providing new insights for the development and application of dry UV light photo-decontamination methods.