In the paper, we aim to show N-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-3-amine (HM-I) as explosive material that satisfies requirements of sensitivity and hydrolytically stability. The influence of nitro group substit...In the paper, we aim to show N-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-3-amine (HM-I) as explosive material that satisfies requirements of sensitivity and hydrolytically stability. The influence of nitro group substitutions on the thermal and chemical stability as well as the explosive performance of HM-I is also investigated. We found that nitro group substitution to the triazole ring of HM-I can significantly improve the properties of this new material. Only -NH2 substitution position (but not their number) in the core molecule is appropriate to increase the stability and improve explosive performances of HM-I.展开更多
基金the LMA scientific project“A theoretical and experimental investigations of new potentially explosive materials using quantum mechanical methods(NSPROG-I4)”.
文摘In the paper, we aim to show N-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-3-amine (HM-I) as explosive material that satisfies requirements of sensitivity and hydrolytically stability. The influence of nitro group substitutions on the thermal and chemical stability as well as the explosive performance of HM-I is also investigated. We found that nitro group substitution to the triazole ring of HM-I can significantly improve the properties of this new material. Only -NH2 substitution position (but not their number) in the core molecule is appropriate to increase the stability and improve explosive performances of HM-I.