Energy of combustion and differential thermograms of organic azides

Denault, G. C.; Marx, Paul C.; Takimoto, H. H.

doi:10.1021/je60039a016

Cited by 26 publications

(15 citation statements)

References 2 publications

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“…1-Amino-Derivat 3 a (T m = 69 8C) und 4-Amino-Derivat 4 a (T m = 121 8C) haben dagegen deutlich höhere Schmelzpunkte als die analogen methylierten Verbindungen, bei denen neben der ¾nderung der Packungseffekte und der Abnahme der Gitterenergien natürlich auch die Bildung von Wasserstoffbrücken stärker eingeschränkt ist. Eine Methyl- [30,32,33] So ist die Standardbildungswärme von 3-Azido-1,2,4-triazol (DH o f = + 458 kJ mol À1 ) [33] ungefähr viermal größer als diejenige von 1-H-1,2,4-Triazol. [28] Die Kombination dieser azidosubstituierten Azole mit Nitrat-, Perchlorat-oder Azolationen (z.…”

Section: Triazoliumsalze Mit Aminosubstituentenunclassified

Stickstoffreiche energetische Salze und ionische Flüssigkeiten

Singh¹,

Verma

Meshri³

et al. 2006

Angewandte Chemie

152

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Energetische Salze bieten zahlreiche Vorteile gegenüber herkömmlichen energetischen Molekülverbindungen. Die Verwendung von stickstoffhaltigen Kationen und Anionen trägt zu höheren Bildungswärmen und Dichten bei, wobei durch den niedrigen Gehalt an Kohlenstoff und Wasserstoff auch eine gute Sauerstoffbilanz erzielt wird. Da bei der Zersetzung dieser stickstoffreichen Verbindungen ein größerer Anteil von Distickstoff entsteht, sind sie vielversprechende hochenergetische Materialien für technische und militärische Anwendungen.

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Section: Triazoliumsalze Mit Aminosubstituentenunclassified

Stickstoffreiche energetische Salze und ionische Flüssigkeiten

Singh¹,

Verma

Meshri³

et al. 2006

Angewandte Chemie

152

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“…One estimate is based on the measured ) 298 ( ν H ∆ value of 2-chloroethanol (11.0 kcal/mol) (Finch et al, 1997;NIST Chemistry Web Book, 2005). The similarity between azide and chloride analog ) 298 ( ν H ∆ values has previously been noted (Lee et al, 1989;McQuaid, 2002) values that were found in the literature search and not employed in the fit were those previously questioned (cyanogen azide, azidocyclopentane, and azidocyclohexane) and an azidotriazole compound (5-methyl-4-amino-3-azidotriazole) whose value was questioned by the authors who published it (Denault et al, 1968).…”

Section: Enthalpies-of-vaporizationmentioning

confidence: 69%

“…i (Fagley and Myers, 1954). j (Denault et al, 1968). k (Finch et al, 1997 [9], the two approaches yield estimates that are within 10 kcal/mol of one another.…”

Section: Enthalpies-of-vaporizationmentioning

confidence: 99%

Computational Chemistry-Based Enthalpy-of-Formation, Enthalpy-of-Vaporization, and Enthalpy-of-Sublimation Predictions for Azide-Functionalized Compounds

McQuaid¹,

Rice²

2006

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“…Nitrotriazoles, aminotriazoles, and azidotriazoles have been receiving considerable attention because of their high heats of formation, favorable detonation performance, good thermal stability and insensitivity over the currently used energetic materials [1][2][3][4]. Several triazole-based salts with nitrate, perchlorate, dinitramide, and picrate anions have been synthesized as promising energetic compounds [5][6][7][8][9][10][11][12][13]. It is known that substituting one of the hydrogen atoms of nitrotriazoles and aminotriazoles by NH 2 group increases the stability, heat of formation, density, and performance.…”

Section: Introductionmentioning

confidence: 99%

Quantum chemical investigations on the structure–property relationship of aminopolynitrotriazoles

et al. 2011

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Density functional theory (DFT) has been employed to study the geometric and electronic structures, band gap, thermodynamic properties, density, and performance properties of a series of polynitrotriazoles at the B3LYP/aug-cc-pVDZ level. The detonation performances were evaluated by the Kamlet-Jacobs semi-empirical equations based on the calculated densities and heats of reaction. It has been found that the model compounds with the predicted densities of 1.8 g/cm 3 , detonation velocities of 8.8 km/s, and detonation pressures of 35 GPa may be novel potential candidates of high energy density materials. The discrepancies in the performance properties, stabilities or sensitivities among isomers are caused by the relative position of NH 2 and NO 2 groups.

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Energy of combustion and differential thermograms of organic azides

Cited by 26 publications

References 2 publications

Stickstoffreiche energetische Salze und ionische Flüssigkeiten

Stickstoffreiche energetische Salze und ionische Flüssigkeiten

Computational Chemistry-Based Enthalpy-of-Formation, Enthalpy-of-Vaporization, and Enthalpy-of-Sublimation Predictions for Azide-Functionalized Compounds

Quantum chemical investigations on the structure–property relationship of aminopolynitrotriazoles

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