Chelating Energetic Material Nickel Semicarbazide 2,4,6‐Trinitroresorcinol: Synthesis, Structure, and Thermal Behavior

Abstract

Abstract. Through a one-pot reaction of NiCO 3 ·2Ni(OH) 2 ·H 2 O, aminourea hydrochloride (SCZ·HCl) and 2,4,6-trinitroresorcinol (TNR), a halogen-free and lead-free chelating energetic material (CEM) [Ni(SCZ) 3 ]TNR was synthesized. We confirmed the structure of [Ni(SCZ) 3 ]TNR by infrared spectroscopy, X-ray diffraction, and elemental analysis. The complex is triclinic with P1(2)/n space group. Cell parameters are: a = 1.04008(17) nm, b = 1.3719(2) nm, c = 1.4897(2) nm, V = 2.0337(6) nm 3 , Z = 4. The central nickel atom is six-coordinate with three oxygen atoms of carbonyl groups and three terminal nitrogen atoms of the hydrazine groups from three SCZs to form a distorted octahedron. Differential scanning calorimetry and

A facile method to prepare energetic materials (EMs)

“…Energetic materials (EMs) have a long application history and play an indispensable role in both military and civilian elds, such as aerospace propellants, mining engineering, and pyrotechnics. [1][2][3][4] Over the past few years, researchers have devoted their efforts to balance the power and safety of EMs through designing novel molecular structures or developing innovative synthetic methods. Recently, EMs have attracted tremendous attention for the sake of global sustainability, improving costeffectiveness and developing simple synthetic procedures.…”

“…[5][6][7] These energetic materials show remarkable thermal stability, low sensitivity to physical stimuli, and excellent detonation performance. 8,9 Up to now, some pioneering work on ionic energetic materials, such as 3,3 0 -dinitroamino-4,4 0 -azoxyfurazan, 10 3,6,7-triamino- [1,2,4]-triazolo- [4,3b] [1,2,4]-triazole, 11 have been reported by T. M. Klap€ otke, [12][13][14] J. n. M. Shreeve [15][16][17][18] and other groups. [19][20][21][22] Despite their remarkable high energy and low sensitivity, these nitrogen-rich ionic materials have some disadvantages: raw materials are usually expensive; harsh condition and long reaction time are needed; high boiling-point solvents are employed that raises the difficulty of the following purication; reaction procedures are usually complicated yet the yields are oen low.…”

Crystal Structure and Properties of 7‐Imino‐3‐Nitroimino‐2,4,6,8‐Tetraazabicyclo[3.3.0]Octane Hydrochloride

“…Explosives, propellants, and pyrotechnics are widely used for military purposes and civilian applications 1,2. Significant attention is mainly focused on theoretical design or synthesizing novel high energy density materials (HEDMs) with improved detonation properties and lower sensitivity 3–5. One of the most important work in this area is to find the appropriate energetic intermediates that contain large number of inherently energetic C–N and N–N bonds 6.…”

“…Parameters such as A and E k were calculated by a straight line that obtained by plotting ln(β/ T pi 2 ) vs. T -1 (reciprocal of the temperature). Ozawa-Doyle's method: [15,16] logβ = log[AE 0 /RG(α)] -2.315 -0.4567(E 0 /RT) (2) where α is the conversion ratio; E o is the apparent activation energy; A is the pre-exponential factor; T is the peak temperature; R is the gas constant, and β is the heating rate. According to Doyle's approximation, Equation (2) was simplified as the following form:…”

“…[1,2] Significant attention is mainly focused on theoretical design or synthesizing novel high energy density materials (HEDMs) with improved detonation properties and lower sensitivity. [3][4][5] One of the most important work in this area is to find the appropriate energetic intermediates that contain large number of inherently energetic C-N and N-N bonds. [6] Not surprisingly, 7-imino-3-nitroimino-2,4,6,8-tetraazabicyclo [3.3.0]octane hydrochloride (Scheme 1, A) consists of this type of structure and was selected as the parent structure for designing new high energy density materials.…”