2,2′-Bisdinitromethyl-5,5′-bistetrazole: A High-Performance, Multi-Nitro Energetic Material with Excellent Oxygen Balance DOI
Yiling Yang, Wenjin Zhang, Siping Pang

и другие.

The Journal of Organic Chemistry, Год журнала: 2024, Номер 89(17), С. 12790 - 12794

Опубликована: Авг. 12, 2024

Bistetrazoles are highly sought after for developing innovative high-energy density materials. The 1,1'-substituted bistetrazoles, exemplified by TKX-50, have outstanding performance. However, the research of high-perfomance 2,2'-substituted bistetrazoles remains limited. In this work, dinitromethyl groups were introduced into bistetrazole structures as (BDBTZ), which was extensively characterized through NMR, thermal analysis, and single crystal X-ray diffraction, exhibiting excellent oxygen balance, moderate sensitivity, acceptable stability, high density, detonation

Язык: Английский

Energetic Salts of Sensitive N,N′-(3,5-Dinitropyrazine-2,6-diyl)dinitramide Stabilized through Three-Dimensional Intermolecular Interactions DOI
Jatinder Singh, Ajay Kumar Chinnam, Richard J. Staples

и другие.

Inorganic Chemistry, Год журнала: 2022, Номер 61(41), С. 16493 - 16500

Опубликована: Окт. 4, 2022

N-nitration of 2,6-diamino-3,5-dinitropyrazine (ANPZ) leads to a sensitive energetic compound N,N'-(3,5-dinitropyrazine-2,6-diyl)dinitramide. This nitro(nitroamino) was stabilized by synthesizing salts, dipotassium (3,5-dinitropyrazine-2,6-diyl)bis(nitroamide) (3) and diammonium (4). Compounds 3 4 are fully characterized single-crystal X-ray diffraction. Compound exhibits three-dimensional metal-organic framework (3D EMOF) structure an outstanding overall performance combining high experimental density (2.10 g cm-3), good thermal stability (Td(onset) = 220 °C), calculated detonation (D 8300 m s-1, P 29.9 GPa). has acceptable (155 moderate (1.73 8624 30.8 The sensitivities compounds toward impact friction were determined following standard methods (BAM). character using red-hot needle heated plate tests. results highlight 3D EMOF based on six-membered heterocycle as potential material.

Язык: Английский

Процитировано

16

Application and Prospects of EMOFs in the Fields of Explosives and Propellants DOI
Bojun Tan, Jinkang Dou, Xiong Yang

и другие.

Dalton Transactions, Год журнала: 2024, Номер 53(32), С. 13308 - 13319

Опубликована: Янв. 1, 2024

Energetic Metal-Organic Framework (EMOF) compounds have gained significant attention in recent years as a hot research topic the fields of explosives and propellants. This article provides an overview latest progress EMOFs various areas, including heat-resistant explosives, burning rate catalysts initiating explosives. It discusses development trends high-energy EMOFs, such high-dimensional solvent-free structural design, simplified scalable synthesis conditions, environmentally friendly manufacturing processes with tunable structures, high-energy, low-sensitivity multifunctional target products. The challenges issues faced by are presented. Furthermore, key directions for future applications propellants discussed, design synthesis, precise modulation molecular composition pore structure, improvement accurate prediction methods physicochemical properties low-cost large-scale production composite energetic materials, exploration influencing factors, comprehensive study on application novel high-performance EMOFs.

Язык: Английский

Процитировано

3

Theoretical study on highly nitrated sensitive pyrazole isomers in the presence of external electric field DOI

Mengjie Bo,

Zikai Gao,

Zhihui Gu

и другие.

Journal of Molecular Modeling, Год журнала: 2025, Номер 31(2)

Опубликована: Янв. 8, 2025

Язык: Английский

Процитировано

0

Construction of Symmetric Energetic Compounds with Lower Sensitivity via Integration of Flexible Chains DOI

Meiqi Xu,

Wen‐Shuai Dong,

Zujia Lu

и другие.

Crystal Growth & Design, Год журнала: 2025, Номер 25(5), С. 1355 - 1363

Опубликована: Фев. 17, 2025

High-energy-density materials (HEDMs) have made significant progress in defense and space applications, but they still confront the challenges of unsatisfactory safety, sensitivity, chemical applicability. In this work, a strategy to synthesize symmetric energetic by introducing flexible chains (−CH2– or −CH2CH2−) is reported based on 5-azido-3-nitro-1H-1,2,4-triazole 1. N,N′-Methylene bridged compound 2 N,N′-ethylene 3 are successfully obtained through one-step synthesis with high yield. The introduction significantly reduced mechanical sensitivity two compounds. This change can be attributed synergistic effects several factors, including formation hydrogen bonds, oxygen balance, variations ESP molecular surface. As result, (IS = 15 J, FS 360 N) > 40 exhibit lower compared monocyclic functional integrated 1 5 42 N). detonation velocities compounds 8439 7979 m·s–1, respectively.

Язык: Английский

Процитировано

0

Combination of Trinitromethyl Groups and Fused-Ring Skeletons for Construction of High-Energy and Low-Sensitivity Energetic Compounds DOI
Marco Wan,

Caijin Lei,

Xuezhi Yu

и другие.

Crystal Growth & Design, Год журнала: 2025, Номер unknown

Опубликована: Фев. 26, 2025

Язык: Английский

Процитировано

0

A novel and reliable method for prediction of the decomposition onset temperature of energetic metal-organic frameworks DOI

Zeinab Dalirandeh,

Mohammad Jafari,

Ali Mousaviazar

и другие.

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 142309 - 142309

Опубликована: Апрель 1, 2025

Язык: Английский

Процитировано

0

Synthesis, thermodynamics and catalytic properties of novel energetic coordination compounds based on nitrotriazolate-formazan ligand DOI
Yifeng Qin, Qin Zeng, Juan Zhu

и другие.

Inorganic Chemistry Communications, Год журнала: 2025, Номер unknown, С. 114679 - 114679

Опубликована: Май 1, 2025

Язык: Английский

Процитировано

0

Nitropyrazole energetic compounds functionalized with dinitroethyl, trinitromethyl, or oxadiazolyl group: Synthesis, structure and energetic performance DOI Creative Commons

Yang-rui Cui,

Jialin Cheng, Yuangang Xu

и другие.

Energetic Materials Frontiers, Год журнала: 2025, Номер unknown

Опубликована: Май 1, 2025

Язык: Английский

Процитировано

0

Lithium-Promoted Formation of M-2AZTO-Li (M = N2H5+ or NH3OH+ and AZTO = Anion of 1-Hydroxytetrazole-5-hydrazide)-Type “Quaternary” Complexes with Nitrogen-Rich Characteristics: Construction of Novel Insensitive Energetic Materials DOI
Feng Yang,

Yaqi Qin,

Shuaijie Jiang

и другие.

ACS Applied Materials & Interfaces, Год журнала: 2022, Номер 15(1), С. 1601 - 1609

Опубликована: Дек. 21, 2022

Lithium-based nitrogen-rich complexes are important research objects in the field of high-energy materials. However, weak coordination abilities lithium ions relative to those other metal with greater atomic numbers have hindered their applications complexes. Herein, we successfully prepared novel lithium-based (N2H5-2AZTO-Li and NH3OH-2AZTO-Li) by exploiting structural properties 1-hydroxytetrazolium-5-hydrazine (HAZTO). Both N2H5-2AZTO-Li NH3OH-2AZTO-Li were found exhibit physicochemical parameters (including density, stability, energetic properties) that intermediate between simple ionic compounds (3 4) (5) formed them, enabling a favorable balance high energy, environmental friendliness (for N2H5-2AZTO-Li: detonation velocity (D) = 9005 m s–1, pressure (P) 35.5 GPa, decomposition temperature (Tdec) 238.1 °C, impact sensitivity (IS) 24 J, friction (FS) 210 N, product (DP) (CO) < 2%; for NH3OH-2AZTO-Li: D 9028 P 35.7 Tdec 211.2 IS 20 FS 180 DP 2%). This study transcends conventional forms complexes, opening new horizons design insensitive

Язык: Английский

Процитировано

11

Thermally stable and insensitive energetic metal-organic frameworks based on two new tetrazole ligands DOI Creative Commons
Lü Li, Sitong Chen, Siwei Song

и другие.

Energetic Materials Frontiers, Год журнала: 2023, Номер 4(2), С. 57 - 62

Опубликована: Май 18, 2023

Two new tetrazole ligands were designed and synthesized using simple methods in this study, namely 1H-tetrazole-5-carbohydrazide (HCHT, 1) 2-amino-5-(1H-tetrazol-5-yl)-1,3,4-oxadiazole (HAOT, 2). Their solvent-free potassium salts [K(CHT)]n (3) [K(AOT)]n (4) are two-dimensional energetic metal-organic frameworks (EMOFs), their structures characterized nuclear magnetic resonance (NMR), infrared spectroscopy (IR), mass spectrometry (MS), elemental analysis (EA), single-crystal X-ray diffraction (SXRD). Both compounds 3 4 exhibit high decomposition temperatures (Td) of 314 °C 310 °C, respectively highly insensitive to impact friction stimuli (IS > 40 J, FS 360 N). The detonation velocity pressure calculated at 9141 m s−1 29.0 GPa, respectively, those determined 8423 24.5 respectively. Furthermore, intermolecular interactions analyzed 2D fingerprint plots with associated Hirshfeld surfaces. In manner, two thermally stable EMOFs developed based on ligands.

Язык: Английский

Процитировано

6