Abstract
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.
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