Strategy for Balance Energy and Safety: Salt Formation of Nitrogen-Rich Bicyclic Compounds Based on 1,2,4-Triazole DOI

Zhongyu Cui,

Jinghao Wang,

Linlin Wu

et al.

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

Published: Dec. 12, 2024

Language: Английский

Construction of 3-Nitro-1H-pyrazole-5-yl-Bridged/Fused 4,5-Diamino-4H–1,2,4-triazoles Achieving High-Energy Insensitive Energetic Materials DOI
Lihua Xie, Chenchen Lin,

Pingping Yi

et al.

The Journal of Organic Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: May 8, 2025

Aminotriazole is a privileged structural motif in the design of various thermostable and insensitive energetic materials. A series 3-nitro-1H-pyrazole-5-yl-bridged/fused 4,5-diamino-4H-1,2,4-triazoles was prepared via cycloaddition carboxyl pyrazole as raw material. These newly synthesized compounds their corresponding salts were fully characterized by chemical analysis (single-crystal X-ray diffraction, infrared, NMR, mass spectroscopy) well experimental tests (thermostability sensitivities). Their detonation properties (detonation velocity, pressure, etc.) determined with EXPLO5 program on basis crystal density calculated heat formation Gaussian 09 suite. pyrazole-triazoles show very high thermostabilities (Td > 320 °C) low mechanical sensitivities (IS ≥ 25 J, FS 288 N) due to intermolecular hydrogen bonding interactions polycyclic triazoles. In particular, tricyclic 3a displays an ultrahigh decomposition temperature 371 °C, surpassing that 2,2',4,4',6,6'-hexanitrostilbene (HNS) can be used candidate for heat-resistant explosives. Dinitroamino 2 (PCJ = 38.58 GPa, Vdet 9268 m s-1) 2d 36.15 8913 found excellent performance, being comparable 1,3,4,7-tetranitro-1,3,5,7-tetrazocane (HMX). Furthermore, compound 1 exhibits desirable 34.74 9284 s-1), thermostability (333 °C), 40 360 N), making it promising HMX replacement. This study supports superiority utilizing pyrazole-triazole system development new high-energy

Language: Английский

Citations

0
Synthesis of C-C bonded Trifluoromethyl based High Energy Density Materials via ANRORC Mechanism DOI
Parasar Kumar, Ramling S. Mathpati, Vikas D. Ghule

et al.

Dalton Transactions, Journal Year: 2024, Volume and Issue: 53(36), P. 15324 - 15329

Published: Jan. 1, 2024

A trifluoromethyl group substituted C-C bonded nitrogen rich energetic material 3-(3-nitro-1

Language: Английский

Citations

0
A 3D Nitrogen-Rich Heat-Resistant Supramolecular MOF with Superior Energetic Performances Assembled from Zn(II) and 5-Aminotetrazole DOI
Jian‐Di Lin, Fa‐Kun Zheng

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1322, P. 140547 - 140547

Published: Nov. 2, 2024

Language: Английский

Citations

0
Strategy for Balance Energy and Safety: Salt Formation of Nitrogen-Rich Bicyclic Compounds Based on 1,2,4-Triazole DOI

Zhongyu Cui,

Jinghao Wang,

Linlin Wu

et al.

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

Published: Dec. 12, 2024

Language: Английский

Citations

0