Unleashing Ultrahigh Detonation Performance with Oxalyldihydrazinium Dication-Based Energetic Salts DOI
Alexandros A. Kitos,

Darren Herweyer,

Niki Mavragani

et al.

Crystal Growth & Design, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 16, 2024

A new series of high energy density materials were synthesized by combining the oxalyldihydrazinium (H2ODH2+) dication with 5,5′-tetranitro-2,2′-bi-1H-imidazolate (TNBI2–), 5,5′-diamino-4,4′-dinitramino-3,3′-bi-1,2,4-triazolate (ANAT2–) and bis[3-(5-nitroimino-1,2,4-triazolate)] (BNT2–) dianions. These fully characterized nuclear magnetic resonance (1H 13C) infrared spectroscopy, gas pycnometry, thermogravimetric analysis differential scanning calorimetry. In addition, crystal structures energetic salts [H2ODH][TNBI] [H2ODH][ANAT] determined single-crystal X-ray diffraction. Thermal revealed decomposition temperatures 183 °C for [H2ODH][ANAT], 200 209 [H2ODH][BNT], while densities these to be 1.82, 1.91, 1.94 g cm–3, respectively. The structural features π-stacking hydrogen-bonding interactions, which contribute close packing associated densities. All exhibited detonation properties (detonation pressure: 39.2–43.7 GPa; velocity: 9246–9783 m s–1), are superior or similar those benchmark explosives such as 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).

Language: Английский

Thermally Stable and Insensitive Energetic Cocrystals Comprising Nitrobarbituric Acid Coformers DOI
Abhishek Kumar Yadav, Vikas D. Ghule, Srinivas Dharavath

et al.

Crystal Growth & Design, Journal Year: 2023, Volume and Issue: 23(4), P. 2826 - 2836

Published: March 13, 2023

Four novel energetic cocrystals of 5-nitropyrimidine-2,4,6(1H,3H,5H)-trione/nitro barbituric acid (NBA) with coformers 1H-tetrazol-5-amine (AmTz), 5-(4-nitro-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-amine (NPTA), 1,3-diaminoguanidinehydrochloride (DAG), and 7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3,6,7-triamine (TATOT) were synthesized for the first time confirmed by single-crystal X-ray diffraction. Three cocrystals, NBA:AmTz, NBA:NPTA, NBA:DAG, obtained in a stoichiometry 1:1, while NBA:TATOT was 1:2 stoichiometry. All presented molecules from commercially available inexpensive starting materials one or two steps. possess high densities (1.71–1.80 g cm–3), excellent thermal stability (222–310 °C), low impact friction sensitivity (>40 J >360 N), which suggest that they are better replacement TNT as core explosive close to RDX HMX formulating material. The strong stabilizing hydrogen bonding vdW interactions preserved among all components cocrystals. These also play significant role cocrystal formation. combine AmTz, NPTA, DAG, TATOT performance NBA into homogeneous

Language: Английский

Citations

13
Highly Dense N–N-Bridged Dinitramino Bistriazole-Based 3D Metal–Organic Frameworks with Balanced Outstanding Energetic Performance DOI
Richa Rajak, Navaneet Kumar, Vikas D. Ghule

et al.

ACS Applied Materials & Interfaces, Journal Year: 2024, Volume and Issue: unknown

Published: April 10, 2024

Due to the inherent conflict between energy and safety, construction of energetic materials or metal–organic frameworks (E-MOFs) with balanced thermal stability, sensitivity, high detonation performance is challenging for chemists worldwide. In this regard, in recent times self-assembly ligands (high nitrogen- oxygen-containing small molecules) alkali metals were probed as a promising strategy build high-energy excellent density, insensitivity, performance. Herein, based on nitrogen-rich N,N′-([4,4′-bi(1,2,4-triazole)]-3,3′-dial)dinitramide (H2BDNBT) ligand, two new environmentally benign E-MOFs including potassium [K2BDNBT]n (K-MOF) sodium [Na2BDNBT]n (Na-MOF) have been introduced characterized by NMR, IR, TGA-DSC, ICP-MS, PXRD, elemental analyses, SCXRD. Interestingly, Na-MOF K-MOF demonstrate solvent-free 3D dense having crystal densities 2.16 2.14 g cm–3, respectively. Both show velocity (VOD) 8557–9724 m/s, pressure (DP) 30.41–36.97 GPa, positive heat formation 122.52–242.25 kJ mol–1, insensitivity mechanical stimuli such impact friction (IS = 30–40 J, FS > 360 N). Among them, has (9724 m/s) superior that conventional explosives. Additionally, both are highly heat-resistant, higher decomposition (319 °C 293 Na-MOF) than traditional explosives RDX (210 °C), HMX (279 CL-20 (221 °C). This stability ascribed extensive structure strong covalent interactions BDNBT2– K(I)/Na(I) ions. To best our knowledge, first time, we report dinitramino-based stable secondary explosives, may serve next-generation high-energy-density material replacement presently used thermally RDX, HNS, HMX, CL-20.

Language: Английский

Citations

5
Energetic coordination compounds: self-assembled from the nitrogen-rich energetic C–C bonded pyrazoles and triazoles DOI
Abhishek Kumar Yadav, Richa Rajak, Vikas D. Ghule

et al.

Dalton Transactions, Journal Year: 2023, Volume and Issue: 52(35), P. 12271 - 12281

Published: Jan. 1, 2023

In energetic materials research, coordination compounds (ECCs) have received much attention due to their high thermal stability and insensitivity mechanical stimuli. The characteristics of ECCs can be modified by combining various metal cations, potent anions, ligands. this study, we synthesized two ligands, 5-(4-nitro-1H-pyrazol-3-yl)-1H-1,2,4-triazol-3-amine (NPTA) (Z)-N-(5-(4-nitro-1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-ylidene)nitramide (NPTN), from a commercially viable starting material reacted them with nitrate salts 3d metals (e.g., Ni, Co, Zn) obtain six new ECCs, [Ni(NPTA)(H2O)3]2·2NO3 (1), [Co(NPTA)(H2O)3]2·2NO3 (2), [Zn(NPTA)(H2O)3]2·2NO3 (3), [Ni(NPTN)(H2O)3]2 (4), [Co(NPTN)(H2O)3]2 (5), [Zn(NPTN)(H2O)3]2 (6) under ambient conditions. All the newly prepared were characterised through PXRD, IR, SEM, TGA-DSC analysis. Furthermore, single crystal analysis proved that 1-6 are dimeric complexes. Moreover, show excellent density ranges 1.94 2.06 g cm-3 remarkable (216-352 °C), highly insensitive towards impact (>40 J) friction (>360 N), describing potential as performing materials. revealed good enthalpy combustion (-6.3 -9.94 kJ g-1). Additionally, Hirshfeld surface 2D fingerprint used understand close contact atoms within molecules. High densities, stabilities low sensitivities make interesting for further studies applications safe high-energy dense

Language: Английский

Citations

10
Elaborating NH-Bridged Nitrogen-Rich Energetic Materials via Base-Mediated Dimroth Rearrangement: Synthesis, Characterization, and Performance Study DOI
Manojkumar Jujam, Vikas D. Ghule, Srinivas Dharavath

et al.

The Journal of Organic Chemistry, Journal Year: 2024, Volume and Issue: 89(11), P. 8192 - 8200

Published: May 23, 2024

The pursuit of heat-resistant energetic materials featuring high thermostability and energy has gained keen interest in recent years owing to their use coal mining aerospace domains. In this study, we synthesized 4-((4,6-diamino-1,3,5-triazin-2-yl) amino)-1

Language: Английский

Citations

4
Facile synthesis of thermally stable tetrazolo[1,5-b][1,2,4]triazine substituted energetic materials: synthesis and characterization DOI
Parasar Kumar, Vikas D. Ghule, Srinivas Dharavath

et al.

Dalton Transactions, Journal Year: 2022, Volume and Issue: 52(3), P. 747 - 753

Published: Dec. 13, 2022

Various thermally stable energetic materials with high nitrogen content, low sensitivity and better detonation performance were synthesized. The versatile functionalization of 1,2,4-triazine involving the introduction oxadiazole tetrazole is discussed. All compounds fully characterized using IR, multinuclear NMR spectroscopy, elemental analysis, high-resolution mass spectrometry. Compounds 2, 3, 9 12 further verified single-crystal X-ray analysis. Compound can be considered a melt-cast explosive due to its lower onset melting temperature (112 °C). velocity, pressure, density, heat formation all synthesized range between 7056 8212 m s-1, 17.57 23.78 GPa, 1.70 1.81 g cm-1, 43 644 kJ mol-1, respectively. Due percentage (53 >72%), these molecules used in car airbag applications. thermal stability (>220 °C) sensitivity, potentially as high-performing secondary materials.

Language: Английский

Citations

15
Synthesis, characterization and thermal decomposition mechanism of new 5-amino-3-hydrazinyl-1H-1,2,4-triazole-based energetic materials DOI

Zhen‐Li Yang,

Yao Yadong,

Jianguo Zhang

et al.

Thermochimica Acta, Journal Year: 2024, Volume and Issue: 733, P. 179703 - 179703

Published: Feb. 10, 2024

Language: Английский

Citations

3
Exploring the Explosive Potential: Synthesis and Characterization of Ring-Fused Oxadiazolo[3,4-b]pyrazine 1-Oxide Polymorphs with Balanced Energetic Properties DOI
Abhishek Kumar Yadav, Rimpi Devi, Vikas D. Ghule

et al.

Organic Letters, Journal Year: 2024, Volume and Issue: 26(28), P. 6006 - 6011

Published: July 8, 2024

A novel fused-ring compound, 5-azido-6-oxo-6,7-dihydro-[1,2,5]oxadiazolo[3,4-

Language: Английский

Citations

3
Thermal Hazard Assessment of the Synthesis of 1,1′-Azobis-1,2,3-triazole DOI

Hao Li,

Jason Wu, Guangyuan Zhang

et al.

Organic Process Research & Development, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 19, 2025

Language: Английский

Citations

0
Preparation of Novel High-Performing Energetic Salts via Precise Tuning of Acidity DOI
Yuji Liu, Xudong Wang,

Helen Ding

et al.

Crystal Growth & Design, Journal Year: 2025, Volume and Issue: unknown

Published: May 14, 2025

Language: Английский

Citations

0
Bistetrazoles Featuring Ultra Thermal Stability DOI
Jatinder Singh, Richard J. Staples, Jean’ne M. Shreeve

et al.

Organic Letters, Journal Year: 2025, Volume and Issue: unknown

Published: May 28, 2025

As the global demand for mining resources continues to rise and as advances in aerospace exploration accelerate, need high-performance energetic materials capable of withstanding extreme conditions has become increasingly critical. This study focuses on rational design synthesis a series molecules incorporating bistetrazole chiral diol functional groups. The inclusion units enhances performance stability these compounds, while groups contribute their structural integrity.

Language: Английский

Citations

0