Abstract
High-energy density materials represent a significant class of advanced materials and have been the focus of energetic materials community. The main challenge in this field is to design and synthesize energetic compounds with a highest possible density and a maximum possible chemical stability. Here we show an energetic compound, [2,2′-bi(1,3,4-oxadiazole)]-5,5′-dinitramide, is synthesized through a two-step reaction from commercially available reagents. It exhibits a surprisingly high density (1.99 g cm−3 at 298 K), poor solubility in water and most organic solvents, decent thermal stability, a positive heat of formation and excellent detonation properties. The solid-state structural features of the synthesized compound are also investigated via X-ray diffraction and several theoretical techniques. The energetic and sensitivity properties of the explosive compound are similar to those of 2, 4, 6, 8, 10, 12-(hexanitrohexaaza)cyclododecane (CL-20), and the developed compound shows a great promise for potential applications as a high-energy density material.
Highlights
High-energy density materials represent a significant class of advanced materials and have been the focus of energetic materials community
It is established that there exists a density limit for organic molecules based on carbon (C), hydrogen (H), nitrogen (N), and oxygen (O), which makes the discovery of high-energy density materials (HEDMs) with a density as high as 2.0 g cm−3 challenging[9, 11, 12]
It is encouraging that ICM-101 displays poor solubility in water, which is a highly desired property for practical formulation applications of insensitive munitions[23]
Summary
High-energy density materials represent a significant class of advanced materials and have been the focus of energetic materials community. A long-term challenge in this field is the design and synthesis of HEDMs that demonstrate the density as high as 2.0 g cm−3, low water solubility, a high detonation velocity comparable to CL-20, acceptable sensitivity toward accidental stimuli, and good thermal stability at higher than 200 °C.
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