Energetic compounds based on a new fused Bis [1, 2, 4] Triazolo [1, 5-b; 5′, 1′-f]-1, 2, 4, 5-Tetrazine

GF Rudakov, VP Sinditskii, IA Andreeva… - Chemical Engineering …, 2022 - Elsevier
A method for the thermal cyclization of tetrazol-5-ylamino-1, 2, 4, 5-tetrazine has been
developed, leading to the formation of a new heterocyclic system based on 1, 2, 4-triazole …

Functionalization of fused imidazole-oxadiazole, triazole-oxadiazole and tetrazole-oxadiazole skeletons: search for stable and potential energetic materials

R Devi, A Maan, VD Ghule, S Dharavath - Computational and Theoretical …, 2023 - Elsevier
In this study, 21 energetic molecules were designed based on imidazo [2, 1-b][1, 3, 4]
oxadiazole,[1, 2, 4] triazolo [3, 4-b][1, 3, 4] oxadiazole, and [1, 3, 4] oxadiazolo [3, 2-d] …

Increasing the burning rate through energetic compound tuning: Hybrids of the furazan and [1, 2, 4] triazolo [4, 3-b][1, 2, 4, 5] tetrazine ring systems

VP Sinditskii, AV Burzhava, AV Usuntsinova… - Combustion and …, 2020 - Elsevier
Combustion behavior, flame structure, and thermal decomposition of hybrid compounds
based on tetrazine, triazole and furazan rings have been described. It has been found that …

DFT studies on nitrogen-rich pyrazino [2, 3-e][1, 2, 3, 4] tetrazine–based high–energy density compounds

RU Khan, S Zhu, W Zhu - Journal of Molecular Modeling, 2019 - Springer
By using the density functional theory method, we investigated the heats of formation
(HOFs), electronic structure, detonation properties, thermal stability and sensitivity for a set of …

Computer-aided design of energetic tris (tetrazolyl) amine derivatives and salts

VD Ghule, S Deswal, A Devi… - Industrial & Engineering …, 2016 - ACS Publications
New derivatives of 5, 5′, 5 ″-tris (tetrazolyl) amine (H3tta) are designed by replacing N–H
with N–NO2 and N–OH groups. Two H3tta derivatives (B and F) were selected for the design …

Nitrogen-rich compounds: s-triazine and tri-s-triazine derivatives as high energy materials

M Hanumantha Rao, VD Ghule… - Journal of Chemical …, 2021 - Springer
This article describes the syntheses, characterization, and energetic properties of 4, 6-
diazido-N, N-dimethyl-1, 3, 5-triazin-2-amine and 2, 4, 6-tris (5-(3, 5-dinitrophenyl)-1H …

Assessment of two new nitrogen-rich tetrazine derivatives as high performance and safe energetic compounds

MH Keshavarz, K Esmaeilpour, M Oftadeh, YH Abadi - RSC advances, 2015 - pubs.rsc.org
This work introduces two novel nitrogen-rich derivatives of tetrazine, ie 1, 2-bis (6-nitro-1, 2,
4, 5-tetrazin-3-yl) diazene and 1, 2-bis (6-nitro-1, 2, 4, 5-tetrazin-3-yl) hydrazine, as high …

High-pressure phase transitions of series of catenated nitrogen energetic crystals Nx (x = 4, 8, 10): A comparative DFT-D study

X Wu, Q Yu - Journal of Molecular Modeling, 2024 - Springer
Context High-pressure chemistry has advantages in exploring novel energetic materials and
is the key to the development of new high-energy materials. The complexity and danger of …

Assessment of the effect of N-oxide group in a new high-performance energetic tetrazine derivative on its physicochemical and thermodynamic properties, sensitivity …

MH Keshavarz, YH Abadi, K Esmaeilpour… - Chemistry of …, 2017 - Springer
This work uses density functional theory and suitable predictive methods to assess the effect
of N-oxide group in 1, 2-bis (6-nitro-1, 2, 4, 5-tetrazin-3-yl) diazene 1-oxide as a new …

Strategy of improving the stability and detonation performance for energetic material by introducing the boron atoms

WJ Wu, WJ Chi, QS Li, JN Ji… - Journal of Physical Organic …, 2017 - Wiley Online Library
A novel stable energetic compound (E)‐1, 2‐diamino‐1, 2‐dinitrodiboron (DANB) was
theoretically designed based on the structure of 1, 1‐diamino‐2, 2‐dinitroethene (FOX‐7) …