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.

有机磷化学战神经毒剂（CWNA）的去污对人类安全越来越重要。在本文中，我们对在甲基铝（Al）和氧化的铝箔上污染的甲基膦酸二甲酯，亚磷酸二甲酯，甲基膦酸二乙酯和亚磷酸二乙酯的CWNA模型分子采用了干光去污方法。为了了解它们的光降解途径，在封闭的反应器系统中，通过气相色谱和质谱法对由于UVC净化而产生的光分解次级化学产物进行了全面检查，以检查污染的Al和氧化的Al目标区域。固体残留物也通过X射线光电子能谱和傅里叶变换红外光谱进行了全面检查。使用B3LYP / 6–31 G级别的密度泛函理论进行几何优化，