A new family of energetic salts based on oxy-bridged bis(dinitromethyl)furazan: syntheses, characterization and properties

RSC Advances ◽  
2015 ◽  
Vol 5 (27) ◽  
pp. 21422-21429 ◽  
Author(s):  
Hui Li ◽  
Feng-qi Zhao ◽  
Bo-zhou Wang ◽  
Lian-jie Zhai ◽  
Wei-peng Lai ◽  
...  
Keyword(s):  
Detonation Properties ◽  
Oxygen Balance ◽  
New Family ◽  
Energetic Salts

Dinitromethyl-functionalized energetic salts with acceptable oxygen balance and high detonation properties were reported.

Molecular design on a new family of azaoxaadamantane cage compounds as potential high-energy density compounds

2019 ◽  
Vol 97 (2) ◽  
pp. 86-93 ◽  
Author(s):  
Yong Pan ◽  
Weihua Zhu ◽  
Heming Xiao
Keyword(s):  
Thermal Stability ◽  
Density Functional ◽  
Parent Compound ◽  
High Energy ◽  
High Energy Density ◽  
Lower Sensitivity ◽  
Detonation Properties ◽  
Detonation Pressure ◽  
Cage Compounds ◽  
New Family

A new family of azaoxaadamantane cage compounds were firstly designed by introducing the oxygen atom into hexanitrohexaazaoxaadmantane (HNHAA) to replace the N–NO2 group. Their properties including heats of formation (HOFs), detonation properties, strain energies, thermal stability, and sensitivity were extensively studied by using density functional theory. All of the title compounds exhibit surprisingly high density (ρ > 2.01 g/cm3) and excellent detonation properties (detonation velocity (D) > 9.29 km/s and detonation pressure (P) > 40.80 GPa). In particular, B (4,8,9,10-tetraazadioxaadamantane) and C (6,8,9,10-tetraazadioxaadamantane) have a remarkably high D and P values (9.70 km/s and 44.45 GPa, respectively), which are higher than that of HNHAA or CL-20. All of the title compound have higher thermal stability and lower sensitivity (h50 > 19.58 cm) compared with the parent compound HNHAA. Three triazatrioxaadamantane cage compounds, D (6,8,9-triazatrioxaadamantane), E (6,8,10-triazatrioxaadamantane), and F (8,9,10-triazatrioxaadamantane), are expected to be relatively insensitive explosives. All of the title compounds exhibit a combination of high denotation properties, good thermal stability, and low insensitivity.

Synthesis and Characteristics of Energetic Materials Based on 1,2-Dinitroguanidine

2014 ◽  
Vol 67 (7) ◽  
pp. 1037 ◽  
Author(s):  
Bingcheng Hu ◽  
Xinghui Jin ◽  
Huanqing Jia ◽  
Zuliang Liu ◽  
Chunxu Lv
Keyword(s):  
Mass Spectrometry ◽  
Energetic Materials ◽  
Chemical Properties ◽  
Detonation Properties ◽  
Physical And Chemical Properties ◽  
Scanning Calorimetry ◽  
Energetic Salts ◽  
Thermal Kinetic Parameters ◽  
Physical And Chemical ◽  
And Chemical Properties

A series of energetic salts based on 1,2-dinitroguanidine were successfully synthesised and fully characterised using 1H NMR, 13C NMR, and IR spectroscopy, mass spectrometry, elemental analysis, and differential scanning calorimetry. The results show that all the salts possess higher detonation properties (detonation pressures and velocities ranging from 24.8 to 30.3 GPa and 7665 to 8422 m s–1, respectively) than those of trinitrotolouene (TNT, 2,4,6-trinitromethylbenzene). The thermal stability and thermal kinetic parameters were also investigated to give a better understanding of the physical and chemical properties of these energetic salts.

A study of N-trinitroethyl-substituted aminofurazans: high detonation performance energetic compounds with good oxygen balance

2015 ◽  
Vol 3 (15) ◽  
pp. 8156-8164 ◽  
Author(s):  
Qiong Yu ◽  
Zhixin Wang ◽  
Bo Wu ◽  
Hongwei Yang ◽  
Xuehai Ju ◽  
...  
Keyword(s):  
Detonation Performance ◽  
Detonation Properties ◽  
Oxygen Balance ◽  
Energetic Compounds

An N-nitrated trinitroethylamino azofurazan derivative possesses an oxygen balance of zero and exhibits outstanding detonation properties (D, 9486 m s−1; P, 40.8 GPa).

Searching for a new family of high energy explosives by introducing N atoms, N-oxides, and NO2 into a cage adamantane

2016 ◽  
Vol 94 (8) ◽  
pp. 667-673 ◽  
Author(s):  
Dong Xiang ◽  
Hao Chen ◽  
Weihua Zhu ◽  
Heming Xiao
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Design Strategy ◽  
High Energy ◽  
Impact Sensitivity ◽  
Lower Sensitivity ◽  
Detonation Properties ◽  
Potential Candidate ◽  
Functional Theory ◽  
New Family

A design strategy that including N atoms, N-oxides, and nitro groups into a cage azaadamantane at the same time was used to design 10 polyazaoxyadamantanes (PAOAs) and eight polynitroazaoxyadamantanes (PNTAOAs). First, four stable azaadamantanes were built by replacing the tertiary C atoms of an adamantane with N atoms. Then, 10 PAOAs were designed by introducing one to four N-oxides into the four azaadamantanes. After that, eight PNTAOAs were formed when the H atoms of four N-oxide-substituted azaadamantanes were replaced with different numbers of nitro groups. Finally, their heats of formation, densities, detonation properties, and impact sensitivity were estimated by using density functional theory. Among the eight PNTAOAs, seven compounds had better detonation performances than CL-20, the outstanding, novel, high-energy, and relatively insensitive cage explosive. Two compounds had higher detonation performance and lower sensitivity than CL-20 and HMX, suggesting that their overall performances are outstanding and they may be considered as the potential candidate of high-energy explosives.

Synthesis and characterization of a new family of energetic salts based on a guanidinium cation containing a picryl moiety

2015 ◽  
Vol 39 (2) ◽  
pp. 893-901 ◽  
Author(s):  
Bo Wu ◽  
Zhixin Wang ◽  
Hongwei Yang ◽  
Qiuhan Lin ◽  
Xuehai Ju ◽  
...  
Keyword(s):  
Synthesis And Characterization ◽  
New Family ◽  
Energetic Salts ◽  
Guanidinium Cation

A series of energetic salts based on a guanidinium cation containing a picryl moiety was successfully synthesized and characterized.

Bis[3-(5-nitroimino-1,2,4-triazolate)]-Based Energetic Salts: Synthesis and Promising Properties of a New Family of High-Density Insensitive Materials

2010 ◽  
Vol 132 (34) ◽  
pp. 11904-11905 ◽  
Author(s):  
Ruihu Wang ◽  
Hongyan Xu ◽  
Yong Guo ◽  
Rongjian Sa ◽  
Jean’ne M. Shreeve
Keyword(s):  
High Density ◽  
New Family ◽  
Energetic Salts

A computational study on new oxidizers as replacements for ammonium perchlorate: tetranitroacetimidic acid and tetranitroacetamide

2017 ◽  
Vol 95 (2) ◽  
pp. 199-206 ◽  
Author(s):  
Xueli Zhang ◽  
Xuedong Gong
Keyword(s):  
Ammonium Perchlorate ◽  
Energetic Materials ◽  
Computational Study ◽  
Detonation Properties ◽  
Oxygen Balance ◽  
Bond Dissociation Energies ◽  
Decomposition Products ◽  
Dissociation Energies ◽  
Impact Sensitivities ◽  
Composite Explosives

High energetic materials tetranitroacetimidic acid (TNAA) and tetranitroacetamide (NTNAA) with positive oxygen balance (OB = 30%) are highly potential replacements for ammonium perchlorate (AP). Tautomerization from TNAA to NTNAA is feasible, reflected by the activation energy of 160.2∼170.0 kJ/mol. No transition state appears on the C–NO2 bond breaking, which triggers pyrolysis of two compounds. The C–NO2 bond dissociation energies are 116.1∼167.2 kJ/mol and 120.4∼174.6 kJ/mol for TNAA and NTNAA, respectively. The chemical stabilities of TNAA and NTNAA are higher than that of the insensitive explosive 1,1-diamino-2,2-dinitroethylene. TNAA and NTNAA possess lower impact sensitivities (h50 ≥ 77.51 cm) than AP does. Detonation properties of the composite explosives containing TNAA or NTNAA are comparable with that of the composite explosives containing AP. The acceptable stabilities, highly positive OB, environmentally friendly decomposition products, and the comparable ability to improve detonation performance of composite explosives show that TNAA and NTNAA are potential replacements for AP as an oxidizer used in composite explosives.

scholarly journals Comparative Theoretical Studies on a Series of Novel Energetic Salts Composed of 4,8-Dihydrodifurazano[3,4-b,e]pyrazine-based Anions and Ammonium-based Cations

Molecules ◽  
2019 ◽  
Vol 24 (18) ◽  
pp. 3213 ◽  
Author(s):  
Binghui Duan ◽  
Ning Liu ◽  
Bozhou Wang ◽  
Xianming Lu ◽  
Hongchang Mo
Keyword(s):  
High Performance ◽  
Density Functional ◽  
Parent Compound ◽  
Impact Sensitivity ◽  
Detonation Performance ◽  
Heats Of Formation ◽  
Detonation Properties ◽  
Detonation Pressure ◽  
Derivative Work ◽  
Energetic Salts

4,8-Dihydrodifurazano[3,4-b,e]pyrazine (DFP) is one kind of parent compound for the synthesis of various promising difurazanopyrazine derivatives. In this paper, eleven series of energetic salts composed of 4,8-dihydrodifurazano[3,4-b,e]pyrazine-based anions and ammonium-based cations were designed. Their densities, heats of formation, energetic properties, impact sensitivity, and thermodynamics of formation were studied and compared based on density functional theory and volume-based thermodynamics method. Results show that ammonium and hydroxylammonium salts exhibit higher densities and more excellent detonation performance than guanidinium and triaminoguanidinium salts. Therein, the substitution with electron-withdrawing groups (–NO2, –CH2NF2, –CH2ONO2, –C(NO2)3, –CH2N3) contributes to enhancing the densities, heats of formation, and detonation properties of the title salts, and the substitution of –C(NO2)3 features the best performance. Incorporating N–O oxidation bond to difurazano[3,4-b,e]pyrazine anion gives a rise to the detonation performance of the title salts, while increasing their impact sensitivity meanwhile. Importantly, triaminoguanidinium 4,8-dihydrodifurazano[3,4-b,e]pyrazine (J4) has been successfully synthesized. The experimentally determined density and H50 value of J4 are 1.602 g/cm3 and higher than 112 cm, which are consistent with theoretical values, supporting the reliability of calculation methods. J4 proves to be a thermally stable and energetic explosive with decomposition peak temperature of 216.7 °C, detonation velocity 7732 m/s, and detonation pressure 25.42 GPa, respectively. These results confirm that the derivative work in furazanopyrazine compounds is an effective strategy to design and screen out potential candidates for high-performance energetic salts.

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