The Relationship between Performance and Constitution of Pure Organic Explosive Compounds.

Lothrop, Warren C.; Handrick, G. R.

doi:10.1021/cr60139a001

Cited by 80 publications

(47 citation statements)

References 6 publications

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“…In its original form, the OB was defined as percentage of oxygen required for complete conversion of a molecule to carbon dioxide, water and metal oxide. 16 Because if the usually high combustion temperatures in rocket engines, it is more useful to calculate the OB of a rocket propellant based on combustion to carbon monoxide instead of carbon monoxide. While energetic, tetrazoles are usually notoriously under-oxidized.…”

Section: Introductionmentioning

confidence: 99%

5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates – Preparation and Characterization of New High Energy Compounds

Haiges

2015

Dalton Trans.

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5-(Fluorodinitromethyl)-2H-tetrazole (HFDNTz) has been prepared by the cycloaddition reaction of HN3 with F(NO2)2CCN, which in turn was prepared by aqueous fluorination of sodium dinitrocyanomethanide. HFDNTz was converted into the ammonium, silver and tetraphenylphosphonium 5-(fluorodinitromethyl)tetrazolates. While the reaction of trinitroacetonitrile with HBr, followed by the treatment with NaOH, resulted in the formation of sodium dinitrocyanomethanide, the reaction of trinitroacetonitrile with aqueous ammonia produced ammonium dinitrocyanomethanide. Hydrazinium dinitromethanide was obtained from trinitroacetonitrile and hydrazine hydrate. All compounds were fully characterized by multinuclear NMR spectroscopy, IR spectroscopy and X-ray crystal structure determinations. Initial safety testing (impact and friction sensitivity) and thermal stability measurements (DTA) were also carried out.

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Section: Introductionmentioning

confidence: 99%

5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates – Preparation and Characterization of New High Energy Compounds

Haiges

2015

Dalton Trans.

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“…where M is molar mass, x-a number of C atoms, y-a number of H atoms, z-a number of O atoms [15]. Additionally, the toxicity and reactivity of the compounds investigated were obtained.…”

Section: Quantum Chemical Investigationsmentioning

confidence: 99%

Influence of Nitro Group Substitutes to the Stability and Energetic Properties of N-(2,4,6-trinitrophenyl)-1<i>H</i>- 1,2,4-triazol-3-amine

Tamulienė¹,

Šarlauskas²,

Bekešienė³

2017

AJAC

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In the paper, we aim to show N-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-3-amine (HM-I) as explosive material that satisfies requirements of sensitivity and hydrolytically stability. The influence of nitro group substitutions on the thermal and chemical stability as well as the explosive performance of HM-I is also investigated. We found that nitro group substitution to the triazole ring of HM-I can significantly improve the properties of this new material. Only -NH 2 substitution position (but not their number) in the core molecule is appropriate to increase the stability and improve explosive performances of HM-I.

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“…Some of the earliest published attempts related the constitutional makeup of explosive compounds to their performance properties [3]. Other attempts have sought correlations between impact sensitivities and such properties as electronegativity [4], estimated reaction heats and molecular composition [5][6][7].…”

Section: Introductionmentioning

confidence: 99%

Development of quantitative structure–property relationships for predictive modeling and design of energetic materials

Morrill

Byrd

2008

Journal of Molecular Graphics and Modelling

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The Relationship between Performance and Constitution of Pure Organic Explosive Compounds.

Cited by 80 publications

References 6 publications

5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates – Preparation and Characterization of New High Energy Compounds

5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates – Preparation and Characterization of New High Energy Compounds

Influence of Nitro Group Substitutes to the Stability and Energetic Properties of N-(2,4,6-trinitrophenyl)-1<i>H</i>- 1,2,4-triazol-3-amine

Development of quantitative structure–property relationships for predictive modeling and design of energetic materials

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The Relationship between Performance and Constitution of Pure Organic Explosive Compounds.

Cited by 80 publications

References 6 publications

5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates – Preparation and Characterization of New High Energy Compounds

5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates – Preparation and Characterization of New High Energy Compounds

Influence of Nitro Group Substitutes to the Stability and Energetic Properties of N-(2,4,6-trinitrophenyl)-1&lt;i&gt;H&lt;/i&gt;- 1,2,4-triazol-3-amine

Development of quantitative structure–property relationships for predictive modeling and design of energetic materials

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Influence of Nitro Group Substitutes to the Stability and Energetic Properties of N-(2,4,6-trinitrophenyl)-1<i>H</i>- 1,2,4-triazol-3-amine