Metal-organic frameworks (MOFs) have attracted great attention because of their intriguing molecular topologies and potential applications in chemical separation, [1] gas storage, [2] drug delivery, [3] catalysis [4] and chemical sensor technology. [5] Particularly, MOFs could also be potential energetic materials because of their high densities and high heats of detonation. For example, Hope-Weeks and co-workers recently reported two hydrazine-perchlorate 1D MOFs [(Ni(NH 2 NH 2 ) 5 (ClO 4 ) 2 ) n (NHP), and (Co(NH 2 NH 2 ) 5 (ClO 4 ) 2 ) n (CHP)] with linear polymeric structures, [6] which were regarded as possibly the most powerful metal-based energetic materials known to date, with heats of detonation comparable with that of hexanitrohexaazaisowutzitane (CL-20; about 1.5 kcal g À1 ).Unfortunately, these coordination polymers were highly sensitive to impact deriving from their low rigidity characteristic of such linear polymeric structures, which makes practical use infeasible. In order to decrease the sensitivities, the same authors also used a hydrazine derivative (hydrazine-carboxylate) as the ligand to construct MOFs with 2D sheet structures [((

Treatment of 1-amino-1,2,3-triazole with sodium dichloroisocyanurate led to isolation of 1,1'-azobis-1,2,3-triazole, which was well characterized. Its structure was determined by X-ray crystallographic analysis, and its thermal stability and photochromic properties were investigated.

Accurate prediction to the detonation performances of different kinds of energetic materials has attracted significant attention in the area of high energy density materials (HEDMs). A common approach for the estimation of CHNO explosives is the Kamlet-Jacobs (K-J) equation. However, with the development of energetic materials, the components of explosives are no longer restricted to CHNO elements. In this study, we have extended the K-J equation to the calculation of certain metal-containing explosives. A new empirical method, in which metal elements are assumed to form metallic oxides, has been developed on the basis of the largest exothermic principle. In this method, metal oxides can be deemed as inert solids that release heat other than gases. To evaluate the prediction accuracy of new method, a commercial program EXPLO5 has been employed for the calculation. The difference involved in the ways of treating products has been taken into account, and the detonation parameters from two methods were subject to close comparison. The results suggest that the mean absolute values (MAVs) of relative deviation for detonation velocity (D) and detonation pressure (P) are less than 5%. Overall, this new method has exhibited excellent accuracy and simplicity, affording an efficient way to estimate the performance of explosives without relying on sophisticated computer programs. Therefore, it will be helpful in designing and synthesizing new metallic energetic compounds.

The top of the pyramid of tetrazole-based CHNO energetic materials for density and OB: N-dinitromethyl functionalization is a new N-functionalized strategy for the synthesis of highly dense and oxygen-rich energetic materials.

GO-based energetic coordination polymers are very insensitive to heat and impact due to the high capacity of energy dissipation of GO sheets (M = Cu2+, Ni2+, Co2+ and Fe2+).

Metal-organic frameworks (MOFs) have attracted great attention because of their intriguing molecular topologies and potential applications in chemical separation, [1] gas storage, [2] drug delivery, [3] catalysis [4] and chemical sensor technology. [5] Particularly, MOFs could also be potential energetic materials because of their high densities and high heats of detonation. For example, Hope-Weeks and co-workers recently reported two hydrazine-perchlorate 1D MOFs [(Ni(NH 2 NH 2 ) 5 (ClO 4 ) 2 ) n (NHP), and (Co(NH 2 NH 2 ) 5 (ClO 4 ) 2 ) n (CHP)] with linear polymeric structures, [6] which were regarded as possibly the most powerful metal-based energetic materials known to date, with heats of detonation comparable with that of hexanitrohexaazaisowutzitane (CL-20; about 1.5 kcal g À1 ).Unfortunately, these coordination polymers were highly sensitive to impact deriving from their low rigidity characteristic of such linear polymeric structures, which makes practical use infeasible. In order to decrease the sensitivities, the same authors also used a hydrazine derivative (hydrazine-carboxylate) as the ligand to construct MOFs with 2D sheet structures [((

New highly energetic coordination polymers (ECPs), based on the graphene oxide (GO)-copper(II) complex, have been synthesized using 5,5′-azo-1,2,3,4-tetrazole (TEZ) and 4,4′-azo-1,2,4-triazole (ATRZ), as linking ligands between GO-Cu layers. The molecular structures, sensitivity, and detonation performances of these ECPs were determined. It was shown that these energetic nanomaterials are insensitive and highly thermostable, due to high heat and impact dissipation capacity of GO sheets. In particular, the GO-TEZ-Cu(II) ECP shows low sensitivity to impact and electrostatic discharge (I m = 21 J; ESD of 1995 mJ) and has a comparable detonation performance to RDX. Also, our novel GO/Cu(II)/ATRZ hybrid ECP GO-Cu(II)-ATRZ ECP exhibits high density (2.85 g•cm −3 ), remarkably high thermostability (T p = 456 °C), and low sensitivity (I m > 98 J; ESD of 1000 mJ). The latter material has a calculated detonation velocity of 7082 m•s −1 , which is slightly higher than that of energetic ATRZ-Cu(II) 3D MOF and higher than one of the top thermostable explosives HNS (T p = 316 °C; 7000 m s −1 ).

The design and synthesis of novel energetic compounds with integrated properties of high density, high energy, good thermal stability and sensitivities is particularly challenging due to the inherent contradiction between energy and safety for energetic compounds. In this study, a novel structure of 4-amino-7,8-dinitropyrazolo-[5,1-d] [1,2,3,5]-tetrazine 2-oxide (BITE-101) is designed and synthesized in three steps. With the help of the complementary advantages of different explosophoric groups and diverse weak interactions, BITE-101 is superior to the benchmark explosive HMX in all respects, including higher density of 1.957 g·cm−3, highest decomposition temperature of 295 °C (onset) among CHON-based high explosives to date and superior detonation velocity and pressure (D: 9314 m·s−1, P: 39.3 GPa), impact and friction sensitivities (IS: 18 J, FS: 128 N), thereby showing great potential for practical application as replacement for HMX, the most powerful military explosive in current use.