Identification of the Free Radical Produced in the Photolysis of 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB)
作者： Ying Xiong , Jun Liu , Fachun Zhong , Tao Xu , Kemei Cheng
DOI: 10.1021/JP5029867
关键词:
摘要: 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) is a typical insensitive high explosive (IHE) that possesses excellent heat, impact, and shock stability. However, it sensitive to light irradiation, which can produce long-lived free radical. In this study, (time-dependent) density functional theory employed study the features of ground state (S0), first singlet excited (S1), triplet (T1). Results indicate progress photolysis, involves an intersystem crossing from S1 T1 followed by NO2–ONO isomerization. The radical produced in TATB photolysis identified as phenoxyl R–NO investigating formation feasibility experimental observation changes ultraviolet absorption spectra supports identification.
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