Isomerism of Nitratoalkylazoles DOI

Lukas Bauer,

Maximilian Benz,

Thomas M. Klapötke

et al.

Published: Jan. 1, 2023

In the field of energetic materials, traditional materials with high toxicity or other disadvantages are mostly used. There is an urgent need for trinitrotoluene replacements (TNT), which itself toxic and its production problematic due to red wastewater. New should be safe handle, have good performance, inexpensive synthesize. Nitratoalkylazoles known low melting points properties compared TNT. this paper, seven compounds synthesized starting from 5-methyltetrazole, 5-hydroxymethyltetrazole 4,5-bishydroxymethyltriazole. The nitrates characterized in terms their physical, chemical, properties. Of those compounds, five solid, between 27 110 °C, two liquid. Methylation hydroxyalkylation were performed discussed extensively. organic nitrate introduced last step so that synthesis remains scalable. Correlations molecular geometry explained. Calculations indicate detonation velocities 6-11% higher than A discussion effect isomerism on leads surprising insights help focus accelerate research replacement

Language: Английский

Recent developments and diverse applications of high melting point materials DOI Creative Commons
Md. Ibrahim Abdullah, Irfan Ahmed,

Md. Arafat Islam

et al.

Results in Engineering, Journal Year: 2024, Volume and Issue: 22, P. 102376 - 102376

Published: June 1, 2024

High melting point materials are essential to many different industries because of their unique qualities, rendering them invaluable for various uses. This paper investigates the features high materials, summarizes current advancements in field, and outlines vast range applications that these have domains like science, aerospace, energy, electronics. The discourse covers such as carbon-based, ceramics, intermetallic, refractory metals, emphasizing potential uses new roles contemporary technology. Thanks developments material with enhanced mechanical strength, thermal stability, resistance harsh environments been found synthesized. These used manufacturing, electronics, aircraft, energy. They frequently distinguished by temperatures significantly higher than those ordinary materials. aerospace sector manufacture heat-resistant parts improve spacecraft jet engines' overall performance longevity. also energy sector's creation sophisticated management systems nuclear reactors high-temperature environments, improving generation efficiency security. electronic industry benefits from when producing semiconductors other components since stability guarantees dependable operation even circumstances. Furthermore, becoming increasingly popular additive manufacturing procedures, allowing complex structures exceptional heat be produced Moreover, alloys composites developed due advances metallurgy nanotechnology, broadening including automobile engineering, medical technology, military interdisciplinary aspect research development is shown this abstract, which highlights adaptability revolutionary effects on industries. continuous investigation shows promise future discoveries will open up avenues fields vital society.

Language: Английский

Citations

8
Understanding Trigger Linkage Dynamics in Energetic Materials Using Mixed Picramide Nitrate Ester Explosives DOI Creative Commons
Nicholas Lease, M. J. Cawkwell,

Kyle D. Spielvogel

et al.

The Journal of Physical Chemistry Letters, Journal Year: 2025, Volume and Issue: 16(2), P. 579 - 586

Published: Jan. 7, 2025

The ability to predict the handling sensitivity of new organic energetic materials has been a longstanding goal. We report synthesis and characterization six nitropicramide with mixed functional groups that mimic known explosives such as nitroglycerin, erythritol tetranitrate (ETN), pentaerythritol (PETN). molecules have studied theoretically using quantum molecular dynamics (QMD) simulations density theory (DFT) calculations identify weakest bond in reactants - trigger-linkages which control sensitivity, quantify their specific enthalpies explosion. In good accord drop weight impact data, our sensitivities are very similar owing small variations energy output rates trigger linkage rupture. addition, both QMD DFT point N-NO2 bonds linkages rather than more typical O-NO2 bonds. propose switch from nitrate esters nitramine arises strongly electron withdrawing character adjacent trinitrobenzene groups.

Language: Английский

Citations

0
4,5-Bisnitratomethyl and Similar Representatives of the Rare Class of 2-Nitro-1,2,3-triazoles DOI
Maximilian Benz,

Sabrina Dörrich,

Thomas M. Klapötke

et al.

Organic Letters, Journal Year: 2023, Volume and Issue: 25(32), P. 5974 - 5977

Published: Aug. 4, 2023

A [3+2]-cycloaddition toward bishydroxymethyl-1,2,3-triazole makes the title compound available through selective nitration. The obtained sensitive 2-nitrotriazole was shown to have a high density of 1.764 g cm-3 and detonation velocity 8590 m s-1. It can also be classified as an oxidizer with oxygen balance CO 12%. Further representatives this rare class 2-nitro-1,2,3-triazoles were synthesized. One- two-dimensional 15N NMR spectroscopy, crystal structure, elemental analysis performed.

Language: Английский

Citations

9
Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity DOI Creative Commons
Nicholas Lease,

Kyle D. Spielvogel,

J. Davis

et al.

Chemical Science, Journal Year: 2023, Volume and Issue: 14(25), P. 7044 - 7056

Published: Jan. 1, 2023

Determining the factors that influence and can help predict energetic material sensitivity has long been a challenge in explosives community. Decades of literature reports identify multitude both chemical physical explosive sensitivity; however no unifying theory observed. Recent work by our team demonstrated kinetics "trigger linkages" (i.e., weakest bonds material) showed strong correlations with experimental drop hammer impact sensitivity. These suggest simple first to break are good indicators for reactivity observed handling tests. Herein we report synthesis derivatives pentaerythritol tetranitrate (PETN) which one, two or three nitrate ester functional groups substituted an inert group. Experimental computational studies show correlates well Q (heat explosion), due change number trigger linkages removed from starting material. In addition, this correlation appears more significant than other effects imparted on different groups, such as heat formation, explosion, capacity, oxygen balance, crystal structure

Language: Английский

Citations

8
Dinitrophenyl-oxadiazole compounds: Design strategy, synthesis, and properties of a series of new melt-cast explosives DOI Creative Commons

Baolong Kuang,

Tingwei Wang, Cong Li

et al.

Defence Technology, Journal Year: 2023, Volume and Issue: 35, P. 100 - 107

Published: Dec. 21, 2023

Melt-cast explosives are the most widely used energetic materials in military composite explosives, researchers have been unremittingly exploring high-energy and insensitive melt-cast explosives. In this work, a series of dinitrophenyl-oxadiazole compounds were designed prepared. These an ideal low melting point (80–97 °C), good detonation performance (detonation velocity D = 6455–6971 m/s, pressure P 18–19 GPa) extreme nature (impact sensitivity ≥60 J, friction >360 N). All these well characterized by nuclear magnetic resonance, fourier transform infrared spectroscopy, elemental analysis. Compounds 2, 3 unambiguously confirmed X-ray single crystal diffraction As result, their overall properties superior to traditional trinitrotoluene (TNT) dinitroanisole (DNAN) which may excellent potential applications

Language: Английский

Citations

5
Isomerism of nitratoalkylazoles DOI Creative Commons

Lukas Bauer,

Maximilian Benz,

Thomas M. Klapötke

et al.

FirePhysChem, Journal Year: 2023, Volume and Issue: 4(3), P. 201 - 210

Published: Nov. 23, 2023

In the field of energetic materials, traditional materials with high toxicity or other disadvantages are mostly used. There is an urgent need for trinitrotoluene replacements (TNT), which itself toxic and its production problematic due to red wastewater. New should be safe handle, have good performance, inexpensive synthesize. Nitratoalkylazoles known low melting points properties compared TNT. this paper, seven compounds synthesized starting from 5-methyltetrazole, 5-hydroxymethyltetrazole 4,5-bishydroxymethyltriazole. The nitrates characterized in terms their physical, chemical, properties. Of those compounds, five solid, between 27 110°C, two liquid. Methylation hydroxyalkylation were performed discussed extensively. organic nitrate introduced last step so that synthesis remains scalable. Correlations molecular geometry explained. Calculations indicate detonation velocities 6-11% higher than A discussion effect isomerism on leads surprising insights help focus accelerate research replacement

Language: Английский

Citations

2
Isomerism of Nitratoalkylazoles DOI

Lukas Bauer,

Maximilian Benz,

Thomas M. Klapötke

et al.

Published: Jan. 1, 2023

In the field of energetic materials, traditional materials with high toxicity or other disadvantages are mostly used. There is an urgent need for trinitrotoluene replacements (TNT), which itself toxic and its production problematic due to red wastewater. New should be safe handle, have good performance, inexpensive synthesize. Nitratoalkylazoles known low melting points properties compared TNT. this paper, seven compounds synthesized starting from 5-methyltetrazole, 5-hydroxymethyltetrazole 4,5-bishydroxymethyltriazole. The nitrates characterized in terms their physical, chemical, properties. Of those compounds, five solid, between 27 110 °C, two liquid. Methylation hydroxyalkylation were performed discussed extensively. organic nitrate introduced last step so that synthesis remains scalable. Correlations molecular geometry explained. Calculations indicate detonation velocities 6-11% higher than A discussion effect isomerism on leads surprising insights help focus accelerate research replacement

Language: Английский

Citations

0