Sensitivity of energetic materials: Theoretical relationships to detonation performance and molecular structure

D Mathieu - Industrial & Engineering Chemistry Research, 2017 - ACS Publications
It has been known for decades that high performances for explosives (as characterized by
detonation velocity D, detonation pressure P, or Gurney energy EG) are connected with high …

Azo-bridged triazole macrocycles: computational design, energy content, performance, and stability assessment

K Sharma, A Maan, VD Ghule… - The Journal of Physical …, 2023 - ACS Publications
Oxadiazole and triazole are extensively investigated heterocyclic scaffolds in the
development of energetic materials. New energetic molecules were designed by replacing …

Can Catenated Nitrogen Compounds with Amine-like Structures Become Candidates for High-Energy-Density Compounds?

X Yang, N Li, Y Li, S Pang - The Journal of Organic Chemistry, 2023 - ACS Publications
The worthwhile idea of whether amine-like catenated nitrogen compounds are stable
enough to be used as high-energy materials was proposed and answered. Abstracting the …

Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation

Q Ma, L Liao, H Lu, G Fan, J Huang - Dalton Transactions, 2017 - pubs.rsc.org
A new family of vinyl bridge 1, 1′-(ethane-5-yl)-bis (3, 4-diamino-1, 2, 4-triazolium) salts
were explored as novel structural energetic materials. These new salts were further …

Synthesis of monosubstituted 1, 2, 4, 5-tetrazines–3-amino-1, 2, 4, 5-tetrazines

GF Rudakov, YA Moiseenko… - Chemistry of Heterocyclic …, 2017 - Springer
The substitution of pyrazolyl moiety in 3-(3, 5-dimethyl-1 H-pyrazol-1-yl)-1, 2, 4, 5-tetrazine
with N-nucleophiles provided a series of highnitrogen tetrazine derivatives, including 2-nitro …

Design of new bridge-ring energetic compounds obtained by Diels–Alder reactions of tetranitroethylene dienophile

P He, HZ Mei, L Wu, JQ Yang, JG Zhang… - The Journal of …, 2018 - ACS Publications
The density functional theory method was employed to calculate three-dimensional
structures for a series of novel explosophores. The design of new molecules (DA1–DA12) …

[HTML][HTML] Computational assessment of nitrogen-enriched, stable and insensitive tris (1, 2, 4, 5-tetrazin-3-yl) amine building block for energetic applications

A Maan, VD Ghule, S Dharavath - Energetic Materials Frontiers, 2022 - Elsevier
In this work, we report an approach for designing a series of energetic compounds derived
from nitrogen-rich tris (1, 2, 4, 5-tetrazin-3-yl) amine backbone. Based on available synthetic …

Synthesis of novel insensitive heat-resistant explosives based on a fused-tricyclic skeleton

G Jin, C Lei, G Cheng, H Yang - New Journal of Chemistry, 2024 - pubs.rsc.org
Development of energetic materials with enhanced thermostability and diminished
sensitivity is one of the main objectives of current research. In this work, an N, N-alkylidene …

Molecule design and properties of bridged 2, 2-bi (1, 3, 4-oxadiazole) energetic derivatives

X Jin, M Xiao, G Zhou, J Zhou, B Hu - RSC advances, 2019 - pubs.rsc.org
A series of bridged 2, 2-bi (1, 3, 4-oxadiazole) energetic derivatives were designed and their
geometrical structures, electronic structures, heats of formation, detonation properties …

Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate anions

RS Mathpati, S Dharavath, N Kumar, VD Ghule… - …, 2020 - pubs.rsc.org
Eight new energetic salts combining N-bases (amines) with picrate ions were synthesized in
high yields and characterized by NMR (1H and 13C), IR spectroscopy, elemental analysis …