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

Guofeng Zhang,

Chuan Xiao, Zhen Dong

et al.

Crystal Growth & Design, Journal Year: 2023, Volume and Issue: 23(9), P. 6756 - 6764

Published: July 27, 2023

A series of novel energetic materials (EMs) based on a single triazole–tetrazole material, (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 = 1.833 g cm–3 and ΔHf 715.8 kJ mol–1) properties (Dv 9209 m s–1 P 36.38 GPa), were obtained. Detailed crystal structures HNANTT NANTT-5, 7, 8, 9, 11, 13 determined by single-crystal X-ray diffraction. Based HNANTT, three kinds coordination polymers (ECPs) (NANTT-5, 8), four salts (NANTT-9, 10, 12), one cocrystal (NANTT-13) prepared characterized to develop EMs different advantages. By modifying all NANTT derivatives (except NANTT-10) showed good mechanical sensitivity (IS > 40 J, FS 360 N), NANTT-ECP-8 achieving the highest density (2.729 cm–3) thermal stability (287 °C), NANTT-12 has detonation performances 9225 30.87 GPa) among materials, while co-crystal exhibited best comprehensive performance, superior 9035 30.12 higher (236 N + O content 83.2%.

Language: Английский

Tri-explosophoric groups driven fused energetic heterocycles featuring superior energetic and safety performances outperforms HMX DOI Creative Commons
Jie Li, Yubing Liu,

Wenqi Ma

et al.

Nature Communications, Journal Year: 2022, Volume and Issue: 13(1)

Published: Sept. 28, 2022

The design and synthesis of novel energetic compounds with integrated properties high density, energy, good thermal stability sensitivities is particularly challenging due to the inherent contradiction between energy safety for compounds. In this study, a structure 4-amino-7,8-dinitropyrazolo-[5,1-d] [1,2,3,5]-tetrazine 2-oxide (BITE-101) designed synthesized in three steps. With help complementary advantages different explosophoric groups diverse weak interactions, BITE-101 superior benchmark explosive HMX all respects, including higher density 1.957 g·cm

Language: Английский

Citations

109
Intramolecular assembly of dinitromethyl and bistetrazole: a strategy for constructing advanced and environmentally friendly high-energy density materials DOI
Xuezhi Yu, Jie Tang,

Caijin Lei

et al.

Journal of Materials Chemistry A, Journal Year: 2024, Volume and Issue: 12(30), P. 19513 - 19520

Published: Jan. 1, 2024

Target compound BDNBT exhibits excellent detonation performance, indicating its potential as a novel type of high-energy density material (HEDM).

Language: Английский

Citations

10
LiN5: A novel pentazolate salt with high nitrogen content DOI
Yuangang Xu, Lujia Ding, Feng Yang

et al.

Chemical Engineering Journal, Journal Year: 2021, Volume and Issue: 429, P. 132399 - 132399

Published: Sept. 11, 2021

Language: Английский

Citations

46
Series of Azido and Fused-Tetrazole Explosives: Combining Good Thermal Stability and Low Sensitivity DOI

Caijin Lei,

Hongwei Yang,

Qinghua Zhang

et al.

ACS Applied Materials & Interfaces, Journal Year: 2022, Volume and Issue: 14(34), P. 39091 - 39097

Published: Aug. 22, 2022

The introduction of azido groups into the energetic skeleton has advantages increasing energy level. In this work, a series compounds with good stability and low sensitivity as well tetrazole-fused based on salts are synthesized. detonation pressures velocities these new fall in ranges 18.9-27.3 GPa 7153-8450 m s-1, respectively. velocity potassium 3, 6, 7 7810, 7153, 7989 Also, their decomposition temperatures (244, 237, 240 °C, respectively) higher than that traditional explosive RDX (204 °C). Notably, two representative 2 5 possess temperature (2: 196 °C 5: 178 °C) overall properties D = 8129 s-1 P 26.6 8336 27.3 GPa) relativity lower sensitivities IS 12 J FS N 10 144 N) primary 2-diazo-4,6-dinitrophenol (Td 157 6900 24.7 GPa, 1 J, N). Moreover, initiation capacity was also assessed through tests. results indicate could be promising environmentally friendly explosive.

Language: Английский

Citations

33
A Synthetic Strategy for the Preparation of Fused [5,6,5,5]-Tetracyclic Energetic Compounds DOI

Caijin Lei,

Jie Tang, Qinghua Zhang

et al.

Organic Letters, Journal Year: 2023, Volume and Issue: 25(14), P. 2461 - 2465

Published: April 3, 2023

This study explores a straightforward synthetic strategy for preparing fused [5,6,5,5]-tetracyclic energetic compounds. Compound 4 has high thermostability (Td = 307 °C), which is comparable to that of traditional heat-resistant explosive HNS 318 but higher detonation velocity (8262 m s–1) than (7612 s–1). These results indicate compound deserves further investigation as potential explosive.

Language: Английский

Citations

14
Multi-energetic group synergy driven design and synthesis of [1,2,4]triazolo[5,1-c][1,2,4]triazine-fused energetic compounds DOI
Yubing Liu, Jie Li, Xun Zhang

et al.

Materials Chemistry Frontiers, Journal Year: 2023, Volume and Issue: 7(6), P. 1046 - 1057

Published: Jan. 1, 2023

The design and synthesis of high-energy high-safety energetic compounds are highly desirable for researchers in the field materials.

Language: Английский

Citations

11
Diazotization of o-Aminoamidoximes for the Preparation of Energetic 6,5,6-Fused 1,2,3-Triazine-3-oxides DOI
Zhiwei Zeng, Chunhui Chen, Xuran Xu

et al.

The Journal of Organic Chemistry, Journal Year: 2024, Volume and Issue: 89(13), P. 9516 - 9520

Published: June 14, 2024

Two 6,5,6-fused 1,2,3-triazine-3-oxides (4 and 6) were designed synthesized via the reaction of o-aminoamidoximes with sodium nitrite. In addition, ring-opening products (5, 7, 8) derived from isolated characterized. A comprehensive exploration mechanism governing process was performed through a combination theoretical experimental studies. Notably, compound 4 exhibited commendable detonation properties low sensitivity, demonstrating its promising potential as an energetic material.

Language: Английский

Citations

4
Molecule Empowerment and Crystal Desensitization: A Multilevel Structure–Property Analysis toward Designing High-Energy Low-Sensitivity Layered Energetic Materials DOI
Xiaokai He, Chao Chen, Zhixiang Zhang

et al.

ACS Applied Materials & Interfaces, Journal Year: 2024, Volume and Issue: 16(36), P. 47429 - 47442

Published: Aug. 30, 2024

Layered energetic materials (LEMs) can effectively balance energy and mechanical sensitivity, making them a current research focus in the field of materials. However, influence layered stacking pattern on impact sensitivity is still unclear, leading to lack advanced design strategies for high-energy low-sensitivity LEMs. Herein, we first utilize novel indicators such as maximum plane separation hydrogen bond dimension perform high-throughput screening over 106 candidate structures, resulting 17 target crystals. A systematic analysis was then conducted relationships between dissociation (BDE) weakest energy-storing at molecular level, intralayer (HBE), sliding barrier (SEB) crystal level with sensitivity. The findings suggest that material have low only if least two three properties well, interlayer resistance be reduced by enhancing intermolecular interactions, which reasonably explains experimental phenomena. More importantly, developed prediction model LEMs coefficient determination 0.88. Additionally, factors affecting HBE SEB were identified, linear established based molecular-level feature variables. Finally, new strategy designing proposed, namely, empowerment scale desensitization scale. This study integrates screening, multilevel structure–property relationship analysis, mathematical construction, offering perspectives development

Language: Английский

Citations

4
Synthesis, characterization and properties of amphoteric heat-resistant explosive materials: Fused [1,2,5]oxadiazolo [3′,4′:5,6]pyrido[4,3-d][1,2,3]triazines DOI
Lujia Ding, Pengcheng Wang, Qiuhan Lin

et al.

Chemical Engineering Journal, Journal Year: 2021, Volume and Issue: 432, P. 134293 - 134293

Published: Dec. 24, 2021

Language: Английский

Citations

27
Synthesis of nitrogen-rich and thermostable energetic materials based on hetarenecarboxylic acids DOI

Caijin Lei,

Hongwei Yang, Qinghua Zhang

et al.

Dalton Transactions, Journal Year: 2021, Volume and Issue: 50(40), P. 14462 - 14468

Published: Jan. 1, 2021

Two series of both nitrogen-rich and thermostable energetic materials as well their salts based on hetarenecarboxylic acids are now described. Among these new compounds, neutral compounds 3 10 have higher nitrogen contents (69.66% 63.05%) than salts, which suggests that they could be used green materials. In addition, compound shows a good decomposition temperature (Td = 281 °C), is close to TNT 295 °C). Nitrogen-rich salt 6 exhibits better integrated energetic-properties (D 8913 m s-1, IS 24 J, FS 320 N) RDX 8795 7.5 120 N).

Language: Английский

Citations

25