Energetic Materials Laboratory
Department of Chemistry
Indian Institute of Technology Kanpur, India
Dr. Srinivas Dharavath
Assistant Professor
Our research group design and synthesize various nitrogen-rich azoles, fused and strained rings containing small molecules which are highly dense, thermally stable, and insensitive towards mechanical stimuli for 'Green' and 'Environmentally friendly' high energy materials (HEM) applications. So far, we have synthesized various poly-nitrogen containing small energetic molecules and salts from commercially available cheap starting materials as HEMs in a simple and straightforward manner. Few synthesized molecules are a better replacement for the existing benchmark energetic materials that meet the requirements of present and future civil, defense, and space applications.
Recent Articles
Synthesis and Performance Evaluation of Zwitterionic C-N Bonded Triazole-Tetrazole Based Primary Explosives
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Developing advanced metal-free nitrogen-enriched primary explosives are challenging due to the inherent risks associated with their synthesis and handling. However, there is an urgent need to develop novel lead-free nitrogen-rich primary explosives that offer balanced energetic properties. C-N bonded bicyclic compound 3-azido-1-(1H-tetrazol-5-yl)-1H-1,2,4-triazol-5-amine (4), its salts, and 3,5-diazido-1H-1,2,4-triazole (8) were synthesized from inexpensive starting materials resulting in a fine blend of sensitivity and stability. These compounds exhibit high nitrogen content (79.78 to 83.43%), good thermal stability (129-210 ℃), excellent detonation performance (VOD: 8592-9361 m/s, DP: 27.1-33.8 GPa), and acceptable sensitivity (IS: 2.5-30 J, FS: 72-288 N). The hot needle tests of compounds 4 and 8 exhibit excellent ignition performance. All the newly synthesized compounds were fully characterized using infrared spectroscopy (IR), high-resolution mass spectroscopy (HRMS), multinuclear magnetic spectroscopy (NMR), elemental analysis (EA), and thermogravimetric analysis differential scanning calorimetry (TGA-DSC), and 2, 4, and 8 were confirmed by single crystal X-ray crystallographic studies. The molecular electrostatic potential (ESP), non-covalent interactions reduced density gradient (NCI-RDG) method, and QTAIM analysis were performed to investigate the intermolecular interactions. Together with promising performance properties, ease of synthesis, and ignitability, they are highly suitable candidates to pave new avenues for future applications.
Trailblazing 3D MOFs Featuring 1,2,4-Dinitrimino Triazole: Redefining Energetic Materials and Iodine Encapsulation
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The quest for high-performance energetic materials crucial for defense and aerospace applications has intensified due to the inherent trade-off between energy output and safety. Among the promising approaches, self-assembly stands out for balancing the high energy and low safety of energetic ligands with alkali metals. In this study, we have successfully synthesized 3D energetic metal-organic frameworks (EMOFs), [Na3(DNT)(H2O]n (Na-MOF), [K4(DNT)2(H2O)]n (K-MOF), [Cs2(DNT)]n (Cs-MOF) using 1,2,4-dinitrimino triazole (DNT) through a hydrothermal process. The synthesized EMOFs were characterized using IR, PXRD, SEM, EA, and TGA-DSC. Furthermore, all structures were confirmed using single-crystal X-ray diffraction, revealing their 3D frameworks. Notably, all EMOFs Na-MOF, K-MOF and Cs-MOF exhibited high crystal densities of 2.15 g/cm³, 2.16 g/cm³, and 2.86 g/cm³. Among these three, Na-MOF showed excellent detonation performance (VOD = 8900 m/s, DP = 26.21 GPa), high thermal stability (Td = 369 ºC), and insensitivity towards impact and friction (IS = 40 J, FS = 360 N). K-MOF displayed balanced energetic properties (VOD = 8286 m/s, DP = 30.52 GPa), and mechanical stability (IS = 40 J, FS = 360 N). Though Cs-MOF exhibited moderate energetic performance, but it showed high potential in pyrotechnic applications, producing a bright red flame. Intermolecular interactions were analysed through Hirshfeld surface analysis, 2D fingerprint analysis, and SEM analysis, providing an enhanced understanding of particle size and morphology. Notably, Na-MOF demonstrated a high capacity as an iodine encapsulating agent. Based on its multi performance, Na-MOF is an efficient material which potentially can be a better replacement for the traditional benchmark energetic materials such as RDX and heat-resistant explosives like HNS and shows a comparability to PYX. It is also offering an efficient iodine encapsulation capability.