Increasing the Energy Limit of Single Triazole-Tetrazole: HNANTT Modified with Its Energetic Coordination Polymers, Co-Crystals, and Energetic Salts

A series of novel energetic materials (EMs) based ona single triazole-tetrazolematerial, (Z)-N-(5-nitro-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-ylidene)nitramide(HNANTT) with tremendous physicochemical (d = 1.833g cm(-3) and & UDelta;H (f) = 715.8 kJ mol(-1)) and energetic properties (D (v) = 9209 m s(-1) and P = 36.38 GPa), were obtained. Detailed crystal structuresof HNANTT and NANTT-5, 7, 8, 9, 11, and 13 were determinedby single-crystal X-ray diffraction. Based on HNANTT, three kindsof energetic coordination polymers (ECPs) (NANTT-5, 7, and 8), four energetic salts (NANTT-9, 10, 11, and 12),and one energetic cocrystal (NANTT-13) were preparedand characterized to develop EMs with different kinds of advantages.By modifying HNANTT, all NANTT derivatives (except NANTT-10) showedgood mechanical sensitivity (IS > 40 J, FS > 360 N), with NANTT-ECP-8 achieving the highest density (2.729 g cm(-3)) and thermal stability (287 & DEG;C), NANTT-12 hasthe highest detonation performances (D (v) = 9225 m s(-1) and P = 30.87 GPa)among NANTT materials, while the NANTT co-crystal of 13 exhibited the best comprehensive performance, with superior detonationproperties (D (v) = 9035 m s(-1) and P = 30.12 GPa), higher thermal stability (236 & DEG;C), and N + O content of 83.2%. Aseries of novel energetic materials, based on HNANTT withtremendous physicochemical (d = 1.833 g cm(-3) and & UDelta;H (f) = 715.8 kJ mol(-1)) and energetic properties (D (v) = 9209m s(-1) and P = 36.38 GPa), wereobtained. Based on HNANTT, three kinds of energetic coordination polymers,four energetic salts, and one energetic cocrystal were prepared andcharacterized.