Thermodynamics and Catalytic Properties of Two Novel Energetic Complexes Based on 3-Amino-1,2,4-triazole-5-carboxylic Acid

Abstract

For energetic materials (EMs), the key point of the present research is to improve the energetic property and reduce sensitivity. In this work, two new energetic complexes, Mn(atzc) 2 (H 2 O) 2 •2H 2 O (1) and Zn(atzc) 2 (H 2 O) (2) (Hatzc = 3-amino-1,2,4-triazole-5-carboxylic acid), were synthesized by solvent evaporation and diffusion methods, respectively. The structural analyses illustrate that 1 and 2 exhibit zero-dimensional structural units, which are linked by hydrogen-bonding interactions to give three-dimensional supramolecular architectures. For complexes 1 and 2, the detonation velocities (D) are 10.4 and 10.2 km•s −1 and detonation pressures (P) are 48.7 and 48.6 GPa, respectively. They are higher than most of the reported EMs, which present prominent detonation characteristics. In addition, two complexes can accelerate the thermal decomposition of ammonium perchlorate and exhibit excellent catalytic activity. Therefore, the two complexes can serve as a new class of promising EMs, which have potential application in the design of new highefficiency solid catalysts.

In situ growth of copper-based energetic complexes on GO and an MXene to synergistically promote the thermal decomposition of ammonium perchlorate

“…Combined with the reported related studies, [45][46][47] the promotion mechanism of the carbon nanomaterials/EC-Cu on the thermal decomposition of AP was developed, as shown in Fig. 13 The composites prepared by in situ growth of copper-based ECs on the surface of carbon nanomaterials have the advantages of large specific surface area, good thermal and electrical conductivity, high energy and multiple active sites. When the composite participates in the thermal decomposition of AP, the gas phase reactant molecules after AP decomposition directly contact with the active site, and effectively adsorb the excess NH 3 , thus accelerating the transformation from the LTD to HTD process.…”

“…6–12 Among them, energetic complexes (ECs) based on the coordination self-assembly of metal ions and nitrogen-rich ligands have the advantages of a high energy level, a large specific surface area and high gas production, thus receiving widespread attention in the field of energetic materials and combustion promoters. 9,13–21…”

“…[6][7][8][9][10][11][12] Among them, energetic complexes (ECs) based on the coordination selfassembly of metal ions and nitrogen-rich ligands have the advantages of a high energy level, a large specific surface area and high gas production, thus receiving widespread attention in the field of energetic materials and combustion promoters. 9,[13][14][15][16][17][18][19][20][21] In the process of research, however, ECs gradually showed the shortcomings of poor conductivity, thermal conductivity and safety performance. In addition, carbon nanomaterials have a large surface area and excellent conductivity, but they are inert and easy to aggregate.…”

A Facile Method for Assessing the Change in Detonation Properties during Chemical Functionalization: The Case of NH2→NHNO2 and NH2→=N+=N− Conversions

“…On the basis of calculations at Level 2, we have identified those chemical compositions that are sensitive to the studied transformations and selected the corresponding experimentally available energetic amines from the literature. Chemical structures of the potential products of the amine transformations into nitramines (1)(2)(3)(4)(5)(6)(7)(8)(9)(10)(11)(12)(13)(14)(15) and diazo compounds (16)(17)(18)(19)(20)(21)(22)(23)(24)(25)(26)(27)(28)(29)(30) are illustrated in Figure 1, and the calculated absolute values of detonation properties and their changes caused upon the transformation are listed in Table 2. As one can see in Table 2, the calculations at both levels demonstrate an increase in detonation properties.…”

Trifluoromethyl-pyridine carboxylic acid Zn(ii) complexes: isomeric effects on coordination and biological activity

“…18 In particular, carboxylate-based ligands are of special interest because of the variety of ways in which they are coordinated with metal ions. 19,20 To obtain a better understanding of the influence of the isomeric selection of ligands on the coordination behavior and the differences in the biological activity of the complexes, 5-(trifluoromethyl) pyridine-2-carboxylic acid ( Htpc for a) and 4-(trifluoro-methyl) nicotinic acid ( Htfc for b) were employed (Fig. 1).…”