Enthalpies of formation of bitetrazole and bis(2,2,2-trinitroethyl)formal

Baroody, Edward E.; Carpenter, George A.

doi:10.1021/je60080a013

Cited by 20 publications

(9 citation statements)

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“…Indeed, a simple sum of enthalpies of formation of TKX-50 constituents -hydroxylamine (-114.18 kJ/mol [15]) and 5,5'-bis (2-hydroxytetrazole) (~ 481 kJ/mol, estimation based on enthalpy of formation of 5,5'-bistetrazole [16]) gives a much lower value of 253 kJ/mol. Heat of reaction between an acid and a base, is so-called heat of salt formation, is a difference between enthalpy of formation of salt and sum of enthalpies of formation of salt constituents.…”

Section: Conclusion Remarksmentioning

confidence: 99%

Combustion behavior and physico-chemical properties of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50)

et al. 2015

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Section: Conclusion Remarksmentioning

confidence: 99%

Combustion behavior and physico-chemical properties of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50)

et al. 2015

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“…However, this enthalpy of formation of TKX‐50 (446.6 kJ mol −1 ) raised doubts among the authors of reference [13]. Indeed, a simple sum of enthalpies of formation of TKX‐50 constituents – hydroxylamine (−114.18 kJ mol −1 [14]) and 5,5′‐bis(2‐hydroxytetrazole) (481–531 kJ mol −1 , estimation based on enthalpy of formation of 5,5′‐bistetrazole [15]) gives a much lower value of 253–302 kJ mol −1 . But it is also necessary to take into account the heat of the salt formation reaction, which is estimated to be between −100 and −150 kJ mol −1 .…”

Section: Discussionmentioning

confidence: 99%

On the Question of the Energetic Performance of TKX‐50

Sinditskii

Serushkin

Колесов

2021

Propellants Explo Pyrotec

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An analysis of the experimental data available to date shows that the explosive TKX‐50 has really high explosive performance characteristics, although not as outstanding as claimed previously, due to the overestimation of the enthalpy of formation. The obtained experimental data on the dependence of the detonation velocity on the density of TKX‐50 samples agree with the results of calculations, in which the experimentally determined enthalpy of formation 194.1 kJ mol−1 is used. The energetic performance of TKX‐50 surpasses the parameters of nitramines RDX, HMX, and even CL‐20, determined at the same densities. However, the calculated detonation velocity of TKX‐50 at theoretical maximum density is 9287 m s−1, which is slightly lower than the detonation velocity of CL‐20 at maximum density. It is worth noting that the detonation velocity of the TKX‐50 at the experimentally attainable density (1.8 g cm−3) is 9037 m s−1. Calculations using the experimentally determined enthalpy of formation show that high‐energy composite propellant formulations containing TKX‐50 are inferior in a specific impulse to compositions based on CL‐20 and HMX.

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“…Tetrazoles are nitrogen-rich compounds that present a widely known interest as stable energetic materials, due to their high positive heats of formation combined with their high thermal stability, resulting from the aromaticity of the tetrazole ring. [1][2][3][4][5][6] In this regard, we have been interested in the reduced structures of the tetrazole-based structures and we have focused on some typical tetrazoline and tetrazolidine derivatives that have showed promising results upon the calculation of their heats of formation and their energetic performances as ingredients for solid or liquid propulsion. [7] Tetrazoles had been thoroughly studied and described in the literature, [1][2][3][4][5][6] however, very few examples of the reduced forms of tetrazoles had been reported.…”

Section: Introductionmentioning

confidence: 99%

Study of the reactivity of 1,1’-dimethylbistetrazole towards catalytic hydrogenation and chemical reduction

Gilloux

Jacob

Labarthe³

et al. 2021

Reac Kinet Mech Cat

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Investigating the possibility of a straightforward formation of tetrazoline and/or tetrazolidine structures, the reactivity of a tetrazole derivative towards reducing conditions has been studied. The catalytic hydrogenation of 1,1'-dimethylbistetrazole (DMBT) was carried out using various catalysts (Pd/C, Pt/C, Rh/C, Pd/Pt/C, Lindlar, PtO 2 and Raney Ni) over a wide range of hydrogen pressure (35 to 150 bars) and a temperature range from 20 to 60°C. This exhaustive study enabled to find the optimal conditions for DMBT hydrogenation and to suggest a plausible reaction mechanism. The chemical reduction of DMBT was conducted using several hydrides (BH 3 , NaBH 4 , DIBAL and LiAlH 4 ). The reduction products were identified subsequently to conditions optimizing. The suggested reaction mechanism, featuring a retro-[3+2]-cycloaddition, was validated by both experimental and theoretical approaches.

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Enthalpies of formation of bitetrazole and bis(2,2,2-trinitroethyl)formal

Cited by 20 publications

References 0 publications

Combustion behavior and physico-chemical properties of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50)

Combustion behavior and physico-chemical properties of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50)

On the Question of the Energetic Performance of TKX‐50

Study of the reactivity of 1,1’-dimethylbistetrazole towards catalytic hydrogenation and chemical reduction

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