Self-Assembly of Purines with Oxidants for the Development of Novel, Dense, Insensitive, and Thermally Stable Energetic Materials

Development and production of novel high-performing nitrogen-rich energetic compounds with a safe and environmentally friendly nature are significant in the pursuit of new-generation green energetic materials. Despite the growing interest in energetic cations in recent years, fused heterocyclic energetic cations have rarely been reported. In the following study, a series of energetic materials comprising purine compounds and oxidants were prepared using a significant noncovalent self-assembly method. Elemental analysis, mass spectrometry (MS), IR spectroscopy, and differential scanning calorimetry (DSC) were used to characterize these synthesized compounds thoroughly. The structures of supramolecules (1–4) were further verified by employing the single-crystal X-ray diffraction technique, and standard BAM methods were used to determine the sensitivities. Furthermore, theoretical calculations and experimental data were used to elucidate the relationship between the structure and properties. Comprising several benefits such as simple and facile preparation, high yield, high density, superior thermostability, insensitive nature, and good detonation properties, the synthesized compounds are regarded as competitive green energetic materials.