A new family of insensitive energetic copolymers composed of nitro and nitrogen-rich energy components: Structure, physicochemical property and density functional theory

A series of nitro-containing energetic copolymers, HD center dot DNSA (1), G center dot DNSA (2), AG center dot DNBA (3), TZ center dot DNSA (4), 5-ATZ center dot DNSA (5) and 4-ATZ center dot DNSA (6) (DNSA, 3,5-dinitrosalicylic acid; HD, hydrazine; G, guanidine; AG, amino guanidine; TZ, 1H-1,2,4-triazole; 5-ATZ, 5-amino-tetrazole; 4-ATZ, 4-amino-1,2,4-triazole) are successfully synthesized based on intermolecular interactions. All compounds are structurally characterized by powder and single crystal X-ray diffractions, infrared spectrum (IR) and elemental analyses. Thermogravimetric analysis (TG), differential scanning calorimetry (DSC) and density functional theory (DFT) calculations show that compounds 1-6 present favorable thermal stabilities. Moreover, all compounds feature good detonation properties and low sensitivities, representing potential energetic materials and promising alternatives to traditional explosives. (C) 2015 Elsevier B.V. All rights reserved.