A novel stable high-nitrogen energetic material: 4,4′-azobis(1,2,4-triazole)

Abstract

A novel high-nitrogen compound with an N,N 0 -azo linkage, 4,4 0 -azobis(1,2,4-triazole), has been synthesized and well characterized. The solid-state structure was determined by X-ray diffraction. The experimentally determined density and enthalpy of formation matched with theoretically computed values based on the B3LYP method. The DSC result suggests that 4,4 0 -azobis(1,2,4-triazole) decomposes at a relatively high temperature (313.36 C). By comparison with 3,3 0 -azobis(1,2,4triazole), containing a C,C 0 -azo linkage, the N,N 0 -azo linkage was found to provide compounds with a relatively high density and high energy.

The stability and decomposition mechanism of the catenated nitrogen compounds

“…A series of new polynitrogen compounds with growing number of catenated nitrogen atoms have been synthesized through the oxidative coupling reaction of the N-NH 2 moiety of the heterocycles [1][2][3][4][5][6][7][8][9]. More importantly, with their similar structures and experimental data, such compounds offer a unique opportunity to theoretically study the relationship between structure and thermal stability, and verify its validity.…”

“…Nevertheless, the poor thermal stability makes it difficult to explore the limit to the number of the catenated nitrogen atoms experimentally, and greatly reduces their efficiency as HEDMs [1][2][3][4][5][6][7][8][9][10][11][12][13][14].…”

Energetic materials composed of coordination polymers: {[Zn(μ-atrz)3](ClO4)2·2H2O}n and {[Cu(μ-atrz)3](NO3)2·2H2O}n

“…Shreeve [25,26] synthesized various new polynitro-1,2,4-triazoles containing a trinitromethyl group and their salts in 2011. Meanwhile, Pang [27][28][29][30][31] reported the synthesis of 1,1′-azobis-1,2,3-triazole (N 8 compound), and polyazido-and polyamino-substituted N,N′-azo-1,2,4-triazole. These give us models to design new supramolecular energetic materials.…”

“…The negative electrostatic potential concentrates on both molecular bare ends. ), simple molecular structure, potential for improvement [30][31][32], and high thermal stability [29]. In 2007, Li [28] first prepared atrz using sodium dichloroisocyanurate as the oxidative reagent, but there were still unsolved problems.…”

Eco-friendly energetic complexes based on transition metal nitrates and 3,4-diamino-1,2,4-triazole (DATr)

“…Considerable attention has been drawn to nontoxic metal coordination compounds based on nitrogen-rich heterocyclic groups [5][6][7][8][9][10][11], owing to their multiple structures [12,13], and energetic properties. Nitrogen-rich heterocyclic compounds are mainly azole-based compounds, such as triazoles [6,[14][15][16][17], tetrazoles [4,[18][19][20][21][22], and their derivatives [3,13,[23][24][25][26][27][28][29][30]. Azole compounds have some attractive energetic properties such as positive heat of formation and thermal stability characteristics [15,[31][32][33][34].…”