Tailoring energy performance and stability by self-assembly of explosive and oxidants: Facile synthesis, self-assembled structures and energetic properties.

• Designing and synthesis of two new self-assembled materials. • The fuel and oxidant components are separately integrated within an energetic system. • Nitrogen-rich heterocyclic compounds with high densities, heats of formation and detonation performances. The combination of high energetic performance and high stability is an ongoing pursuit in exploring new energetic materials. However, the traditional methods for incorporating fuel and oxidant constituents into a molecule usually give rise to a contradiction between high energy and insensitivity. Now a significant self-assembly strategy was employed to prepare two energetic materials via supramolecular assembly of nitrogen-rich furazan-triazole compound and oxidants. Their supramolecular structures were determined and investigated by single-crystal X-ray diffraction. The effective self-assembly of 3-amino-4-(4,5-diamino-1,2,4-triazole-3-yl)-furazan (TATF) with oxidants leads to a good balance between energetic performances and stabilities. It is worth noting that the crystal densities and detonation performances of compounds 1 and 2 are higher than those of their precursor TATF. Especially, these materials possess good detonation performances (D: 8725-8817 m·s−1; P: 31.9-32.2 GPa). Meanwhile, these supramolecular assembly energetic materials exhibit higher thermal stabilities and lower mechanical sensitivities than RDX. The high energy and low sensitivity of compounds 1 and 2 indicate that the self-assembly is an effective and facile strategy to construction of advanced energetic materials. [ABSTRACT FROM AUTHOR]