Nitramino-furazan-functionalized fused high-nitrogen backbones as energetic materials with high detonation performance and good molecular stabilities

Energetic materials, comprising furoxan and 1,2,4-oxadiazole backbones, were synthesized by nitrating 3,3′-bis(5-amino-1,2,4-oxadiazol-3-yl)-4,4′-azofuroxan, followed by cation metathesis, giving compounds with high density, high detonation performance and acceptable sensitivities.

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Preparation, Crystal Structure, Thermal Decomposition, and Explosive Properties of a Novel Energetic Compound [Zn(N2H4)2(N3)2]n: A New High-Nitrogen Material (N = 65.60 %)

Zeitschrift für anorganische und allgemeine Chemie ◽

10.1002/zaac.201000340 ◽

2010 ◽

Vol 637 (3-4) ◽

pp. 450-455 ◽

Cited By ~ 41

Author(s):

Bi-Dong Wu ◽

Li Yang ◽

Shi-Wei Wang ◽

Tong-Lai Zhang ◽

Jian-Guo Zhang ◽

...

Keyword(s):

Crystal Structure ◽

Thermal Decomposition ◽

High Nitrogen ◽

Energetic Compound ◽

Explosive Properties

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Novel potential high-nitrogen-content energetic compound: Theoretical study of diazido-tetrazole (CN10)

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.01.014 ◽

2011 ◽

Vol 964 (1-3) ◽

pp. 291-297 ◽

Cited By ~ 17

Author(s):

Jian-Guo Zhang ◽

Xiao-Qing Niu ◽

Shao-wen Zhang ◽

Tong-Lai Zhang ◽

Hui-Sheng Huang ◽

...

Keyword(s):

Nitrogen Content ◽

Theoretical Study ◽

High Nitrogen Content ◽

High Nitrogen ◽

Energetic Compound

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High-Nitrogen Energetic Materials of 1,2,4,5-Tetrazine Family: Thermal and Combustion Behaviors

Chemical Rocket Propulsion - Springer Aerospace Technology ◽

10.1007/978-3-319-27748-6_3 ◽

2016 ◽

pp. 89-125 ◽

Cited By ~ 2

Author(s):

Valery P. Sinditskii ◽

Viacheslav Yu. Egorshev ◽

Gennady F. Rudakov ◽

Sergey A. Filatov ◽

Anna V. Burzhava

Keyword(s):

Energetic Materials ◽

High Nitrogen ◽

Combustion Behaviors

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Density functional study of guanidine-azole salts as energetic materials

Canadian Journal of Chemistry ◽

10.1139/cjc-2018-0106 ◽

2018 ◽

Vol 96 (10) ◽

pp. 949-956 ◽

Cited By ~ 1

Author(s):

Si-Yu Xu ◽

Zhou-Yu Meng ◽

Feng-Qi Zhao ◽

Xue-Hai Ju

Keyword(s):

Energetic Materials ◽

Density Functional ◽

Dft Method ◽

Impact Sensitivity ◽

Detonation Performance ◽

Functional Study ◽

Detonation Properties ◽

Geometrical Structures ◽

Counter Ions ◽

The Density Functional Theory

A series of guanidine cations and azole anions were designed for use as energetic salts. Their geometrical structures were optimized by the density functional theory (DFT) method. The counter ions were matched by the similar magnitude of the electron affinity (EA) of the cation and the ionization potential (IP) of the anion. The densities, heats of formation, detonation parameters, and impact sensitivity were predicted. The incorporation of guanidine cations and diazole anions are favorable to form thermal stable salts except cation A1. The diaminoguanidine cation has greater impact on the density and detonation properties of the salts than the triaminoguanidine cation. 2-Amino-3-nitroamino-4,5-nitro-dinitropyrazole is the best anion for advancing the detonation performance among all the anions. Incorporating the C=O bond into the guanidine cations enhances the density and detonation performance of the guanidine-azole salts. The salts containing III1–III4 anion have better detonation properties than HMX, indicating that these salts are potential energetic compounds. Compared with RDX or HMX, some salts with diaminoguanidine cation display lower impact sensitivity.

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