scholarly journals [(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N–N fragment

RSC Advances ◽  
2021 ◽  
Vol 11 (39) ◽  
pp. 24013-24021
Author(s):  
Dmitry A. Gulyaev ◽  
Michael S. Klenov ◽  
Aleksandr M. Churakov ◽  
Yurii A. Strelenko ◽  
Ivan V. Fedyanin ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Energetic Materials ◽  
Enthalpies Of Formation ◽  
Energetic Compounds ◽  
Good Thermal Stability ◽  
Solid Composite Propellants

A novel class of energetic compounds with a N(O) N–N fragment, [(3-nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans, which exhibit good thermal stability and high experimental enthalpies of formation are estimated as possible components of solid composite propellants.

scholarly journals Screening for energetic compounds based on 1,3-dinitrohexahydropyrimidine skeleton and 5-various explosopheres: molecular design and computational study

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Binghui Duan ◽  
Ning Liu ◽  
Xianming Lu ◽  
Hongchang Mo ◽  
Qian Zhang ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Energetic Materials ◽  
Molecular Design ◽  
Computational Study ◽  
Impact Sensitivity ◽  
Detonation Properties ◽  
Detonation Pressure ◽  
Energetic Compounds ◽  
Good Thermal Stability ◽  
Energetic Performance

Abstract In this paper, twelve 1,3-dinitrohexahydropyrimidine-based energetic compounds were designed by introducing various explosopheres into hexahydropyrimidine skeleton. Their geometric and electronic structures, heats of formation (HOFs), energetic performance, thermal stability and impact sensitivity were discussed. It is found that the incorporation of electron-withdrawing groups (–NO2, –NHNO2, –N3, –CH(NO2)2, –CF(NO2)2, –C(NO2)3) improves HOFs of the derivatives and all the substituents contribute to enhancing the densities and detonation properties (D, P) of the title compounds. Therein, the substitution of –C(NO2)3 features the best energetic performance with detonation velocity of 9.40 km s−1 and detonation pressure of 40.20 GPa. An analysis of the bond dissociation energies suggests that N–NO2 bond may be the initial site in the thermal decompositions for most of the derivatives. Besides, –ONO2 and –NF2 derivatives stand out with lower impact sensitivity. Characters with striking detonation properties (D = 8.62 km s−1, P = 35.08 GPa; D = 8.81 km s−1, P = 34.88 GPa), good thermal stability, and acceptable impact sensitivity (characteristic height H50 over 34 cm) lead novel compounds 5,5-difluoramine-1,3-dinitrohexahydropyrimidine (K) and 5-fluoro-1,3,5-trinitrohexahydropyrimidine (L) to be very promising energetic materials. This work provides the theoretical molecular design and a reasonable synthetic route of L for further experimental synthesis and testing.

Energetic salts of 4-nitramino-3-(5-dinitromethyl-1,2,4-oxadiazolyl)-furazan: powerful alliance towards good thermal stability and high performance

2018 ◽  
Vol 6 (35) ◽  
pp. 16833-16837 ◽  
Author(s):  
Chunlin He ◽  
Gregory H. Imler ◽  
Damon A. Parrish ◽  
Jean'ne M. Shreeve
Keyword(s):  
Thermal Stability ◽  
High Performance ◽  
Energetic Compounds ◽  
Good Thermal Stability ◽  
Straightforward Method ◽  
Energetic Salts

A new series of 4-nitramino-3-(5-dinitromethyl-1,2,4-oxadiazolyl)-furazan-based energetic compounds which are competitive with HMX was synthesized in four steps with an overall yield of ∼50% by using a straightforward method.

scholarly journals Theoretical calculation of nitro-1-(2,4,6-trinitrophenyl)-1H-azoles energetic compounds

2022 ◽  
Author(s):  
Zhibin Qi ◽  
Yong Lu ◽  
Rui-Jun Gou ◽  
Shu-Hai Zhang
Keyword(s):  
Thermal Stability ◽  
Density Functional ◽  
Heat Of Formation ◽  
The Other ◽  
Detonation Properties ◽  
Energetic Compounds ◽  
Functional Theory ◽  
Good Thermal Stability ◽  
Azole Ring ◽  
Imidazole Compounds

In order to study the properties of new energetic compounds formed by introducing nitroazoles into 2,4,6-trinitrobezene, the density, heat of formation and detonation properties of 36 nitro-1-(2,4,6-trinitrobenzene)-1H-azoles energetic compounds are studied by density functional theory, and their stability and melting point are predicted. The results show that most of target compounds have good detonation properties and stability. And it is found that nitro-1-(2,4,6-Trinitrophenyl)-1H-pyrrole compounds and nitro-1-(2,4,6-trinitropenyl)-1H-Imidazole compounds have good thermal stability, and their weakest bond is C-NO2 bond, the bond dissociation energy of the weakest bond is 222 kJ mol-1-238 kJ mol-1 and close to TNT (235 kJ mol-1). The weakest bond of the other compounds may be the C-NO2 bond or the N-N bond, and the strength of the N-N bond is related to the nitro group on azole ring.

scholarly journals 4,5-Dicyano-1,2,3-Triazole—A Promising Precursor for a New Family of Energetic Compounds and Its Nitrogen-Rich Derivatives: Synthesis and Crystal Structures

Molecules ◽  
2021 ◽  
Vol 26 (21) ◽  
pp. 6735
Author(s):  
Wenli Cao ◽  
Jian Qin ◽  
Jianguo Zhang ◽  
Valery P. Sinditskii
Keyword(s):  
Mass Spectrometry ◽  
Thermal Stability ◽  
Fourier Transform ◽  
Energetic Materials ◽  
Complex Compounds ◽  
Energetic Compounds ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
New Family ◽  
Ft Ir

The nitrogen-rich compounds and intermediates with structure of monocyclic, bicyclic, and fused rings based on 1,2,3-triazole were synthesized and prepared by using a promising precursor named 4,5-dicyano-1,2,3-triazole, which was obtained by the cyclization reaction of diaminomaleonitrile. Their structure and configurational integrity were assessed by Fourier transform-infrared spectroscopy (FT-IR), mass spectrometry (MS), and elemental analysis (EA). Additionally, fourteen compounds were further confirmed by X-ray single crystal diffraction. Meanwhile, the physical properties of four selected compounds (3·H2O, 6·H2O, 10·H2O, and 16) including thermal stability, detonation parameters, and sensitivity were also estimated. All these compounds could be considered to construct more abundant 1,2,3-triazole-based neutral energetic molecules, salts, and complex compounds, which need to continue study in the future in the field of energetic materials.

THERMAL STABILITY AND COMBUSTION BEHAVIORS OF ENERGETIC MATERIALS BASED ON A NEW HETEROCYCLE AZASYDNONE

2018 ◽  
Vol 17 (2) ◽  
pp. 147-170 ◽  
Author(s):  
Valery V. Serushkin ◽  
Valery P. Sinditskii ◽  
Sergey A. Filatov ◽  
P. D. Kulagina ◽  
V. T. Nguyen ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Energetic Materials ◽  
Combustion Behaviors

Optimization of Organic Fibres%[Kevlar/Arobocel/Acrylic] in NAO Brake Pad Application and its Effect on Thermal Stability & Friction Characteristics

2012 ◽  
Vol 531-532 ◽  
pp. 8-12
Author(s):  
M.A. Sai Balaji ◽  
K. Kalaichelvan
Keyword(s):  
Thermal Stability ◽  
Weight Loss ◽  
Minimum Weight ◽  
Friction Material ◽  
Brake Pad ◽  
Temperature Zone ◽  
Good Thermal Stability ◽  
Friction Testing ◽  
Brake Application ◽  
The Stability

Organic fibres (Kevlar/ Arbocel / Acrylic) have good thermal stability, higher surface area and bulk density. The optimization of organic fibres percentage for thermal behaviour is considered using TGA. The temperature raise during brake application will be between 150-4000 C and this temperature zone is very critical to determine the fade characteristics during friction testing. Hence, three different friction composites are developed with the same formulation varying only the Kevlar, Arbocel and Acrylic fibres which are compensated by the inert filler namely the barites and are designated as NA01, NA02 and NA03 respectively. After the fabrication, the TGA test reveals that the composite NA03 has minimum weight loss. The friction coefficient test rig is then used to test the friction material as per SAE J661a standards. The results prove that the brake pad with minimum weight loss during TGA has higher friction stability. Thus, we can correlate the thermal stability with the stability of friction.

Series of AzTO-Based Energetic Materials: Effect of Different π–π Stacking Modes on Their Thermal Stability and Sensitivity

Langmuir ◽  
2021 ◽  
Author(s):  
Jinhao Zhang ◽  
Bo Jin ◽  
Yulan Song ◽  
Wenjia Hao ◽  
Jiao Huang ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Energetic Materials ◽  
Π Stacking
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