A miniature ionization probe technique using a multilayer circuit board for the study of explosive phenomena in primary and secondary explosives

Spear, Robert J.; Bentley, John R.; Wolfson, Michael G.

doi:10.1016/0010-2180(83)90068-8

Cited by 8 publications

(4 citation statements)

References 4 publications

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“…Tetrazole (CH 2 N 4 ) is an azo compound with a high nitrogen content of about 80%. Tetrazole derivatives and their metal salts are widely used in the synthesis of explosive HEDCs, [18][19][20][21] and also have wide applications in agriculture, medicine, biology, etc. 18 We further considered bridged tetrazoles.…”

Section: Introductionmentioning

confidence: 99%

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A theoretical library of N1s core binding energies of polynitrogen molecules and ions in the gas phase

Wang

Wei

et al. 2022

Phys. Chem. Chem. Phys.

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Section: Introductionmentioning

confidence: 99%

“…Tetrazole derivatives and their metal salts are widely used in the synthesis of explosive HEDCs, [18][19][20][21] and also have wide applications in agriculture, medicine, biology, etc. 18 We further considered bridged tetrazoles. Bridging is an important technique that can improve the performance of energetic materials.…”

Section: Introductionmentioning

confidence: 99%

A theoretical library of N1s core binding energies of polynitrogen molecules and ions in the gas phase

Wang

Wei

et al. 2022

Phys. Chem. Chem. Phys.

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“…The tetrazole compounds have found wide application in agriculture, medicine, biology, etc . There is also a lot of work being done on the potential of tetrazoles and their metal salts to be used as explosives. − It is well known that the evaluation of explosive performances of energetic materials requires the knowledge of the heat of formation (HOF). Furthermore, HOFs, as elementary thermodynamic properties, are important and necessary for researchers.…”

Section: Introductionmentioning

confidence: 99%

Studies on Heats of Formation for Tetrazole Derivatives with Density Functional Theory B3LYP Method

et al. 1999

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The heats of formation (HOF) for 49 tetrazole derivatives are calculated with the density functional theory (DFT) B3LYP method by means of designed isodemic and isogyric reactions. The average absolute deviation for five compounds for which the experimental HOFs are available is less than 2 kcal/mol target accuracy of G-2 theory. It has been demonstrated that for compounds involving delocalized bonds, choosing molecules containing all of the delocalized bonds as reference compounds is an appropriate approach. The calculated HOFs indicate that most neutral 2H-isomers are more stable than the corresponding 1H-isomers whereas the 1-substituted tetrazolate anions are more stable than the corresponding 2-substituted ones. Furthermore, our results consistently show that C-substituted tetrazoles are more stable than the corresponding N-substituted isomers. Our calculated heat of formation calls into question the experimental heat of formation of 2-methyltetrazole.

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“…Recently, the tetrazole compounds have found wide application in agriculture, medicine, biology, etc [ 3 ]. There is also a number of works investigating the potential of tetrazoles and their metal salts for their use as explosives [3][4][5][6].…”

Section: Introductionmentioning

confidence: 99%

Theoretical Investigation on the Nitrogen-Rich Energetic Compound 5-Nitro-2-Nitratomethyl-1,2,3,4-Tetrazole

2016

JSC

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Based on the full optimized molecular geometric structures at the B3LYP/cc-pVTZ level, a new designed compound 5-nitro-2-nitratomethyl-1,2,3,4-tetrazole is investigated in order to look for high energy density compounds (HEDCs). The IR spectrum, the heat of formation (HOF), and frontier molecular orbitals are predicted. The detonation velocity and pressure are evaluated using Kamlet-Jacobs equations based on the theoretical density and condensed HOF. The bond dissociation energies (BDEs) and bond orders for the weakest bonds are analyzed to investigate the thermal stability of the title compound. The results show that the O 1-N 6 bond is the trigger bond. The crystal structure obtained by molecular mechanics belongs to the Pna2 1 space group with lattice parameters Z = 4, a = 13.7565 Å, b = 12.4737 Å, c = 4.3445 Å.

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A miniature ionization probe technique using a multilayer circuit board for the study of explosive phenomena in primary and secondary explosives

Cited by 8 publications

References 4 publications

A theoretical library of N1s core binding energies of polynitrogen molecules and ions in the gas phase

A theoretical library of N1s core binding energies of polynitrogen molecules and ions in the gas phase

Studies on Heats of Formation for Tetrazole Derivatives with Density Functional Theory B3LYP Method

Theoretical Investigation on the Nitrogen-Rich Energetic Compound 5-Nitro-2-Nitratomethyl-1,2,3,4-Tetrazole

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