Fused heterocycle-based energetic salts: alliance of pyrazole and 1,2,3-triazole

2016 ◽  
Vol 4 (4) ◽  
pp. 1514-1519 ◽  
Author(s):  
Ping Yin ◽  
Chunlin He ◽  
Jean'ne M. Shreeve
Keyword(s):  
Energetic Properties ◽  
Energetic Salts

Fused heterocycle-based salts consisting of pyrazole and 1,2,3-triazole were synthesized, characterized and their energetic properties were studied.

3,4-Diamino-1,2,4-triazole based energetic salts: synthesis, characterization, and energetic properties

2015 ◽  
Vol 39 (7) ◽  
pp. 5265-5271 ◽  
Author(s):  
Jin-Ting Wu ◽  
Jian-Guo Zhang ◽  
Xin Yin ◽  
Zi-Yuan Cheng ◽  
Cai-Xia Xu
Keyword(s):  
Metathesis Reaction ◽  
Reaction Method ◽  
Energetic Properties ◽  
Protonation Reaction ◽  
Energetic Salts

A series of energetic salts based on 3,4-diamino-1,2,4-triazole with promising detonation performances have been synthesized using a metathesis reaction method or a protonation reaction method.

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

CrystEngComm ◽  
2020 ◽  
Vol 22 (29) ◽  
pp. 4842-4852 ◽  
Author(s):  
Ramling S. Mathpati ◽  
Srinivas Dharavath ◽  
Nikhil Kumar ◽  
Vikas D. Ghule ◽  
Avijit Kumar Paul ◽  
...  
Keyword(s):  
Picric Acid ◽  
Design Synthesis ◽  
Energetic Properties ◽  
Energetic Salts ◽  
High Yields

Eight energetic salts combining N-bases with picrate ion were synthesized in high yields. The structures and energetic properties were regulated by the variation of N-base molecules and the concentration of the picric acid in the reaction mixture.

scholarly journals Theoretical screening of bistriazole-derived energetic salts with high energetic properties and low sensitivity

RSC Advances ◽  
2019 ◽  
Vol 9 (45) ◽  
pp. 26442-26449 ◽  
Author(s):  
Xiao-Hong Li ◽  
Cong Zhang ◽  
Xue-Hai Ju
Keyword(s):  
Nitro Group ◽  
Energetic Properties ◽  
Energetic Salts ◽  
Low Sensitivity ◽  
Bridging Groups ◽  
Trinitromethyl Group

We designed four series of energetic anions by replacing nitro group (NO2) with trinitromethyl group (C(NO2)3) or by inserting N-bridging groups (–NH–, –NH–NH–, –NN–, –NN(O)–) into the bistriazole frameworks.

The unique synthesis and energetic properties of a novel fused heterocycle: 7-nitro-4-oxo-4,8-dihydro-[1,2,4]triazolo[5,1-d][1,2,3,5]tetrazine 2-oxide and its energetic salts

2015 ◽  
Vol 3 (7) ◽  
pp. 3594-3601 ◽  
Author(s):  
Chengming Bian ◽  
Xiao Dong ◽  
Xiuhui Zhang ◽  
Zhiming Zhou ◽  
Man Zhang ◽  
...  
Keyword(s):  
Facile Synthesis ◽  
Energetic Properties ◽  
Energetic Salts

The unique and facile synthesis of 7-nitro-4-oxo-4,8-dihydro-[1,2,4]triazolo[5,1-d][1,2,3,5]tetrazine 2-oxide (HBCM) and a proposed mechanism for its formation are described.

Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties

2018 ◽  
Vol 6 (5) ◽  
pp. 2239-2248 ◽  
Author(s):  
Zhen Xu ◽  
Guangbin Cheng ◽  
Shunguan Zhu ◽  
Qiuhan Lin ◽  
Hongwei Yang
Keyword(s):  
High Performance ◽  
Fine Tuning ◽  
Energetic Properties ◽  
Energetic Salts

Twenty-one high performance monoanionic and dianionic energetic salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings were studied.

Optimization of a New Reactive Force Field for Silver - Based Materials

2020 ◽  
Author(s):  
Clément Dulong ◽  
Bruno Madebène ◽  
Susanna Monti ◽  
Johannes Richardi
Keyword(s):  
Force Field ◽  
Self Assembled Monolayers ◽  
The Novel ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Energetic Properties ◽  
Extended Training ◽  
Geometrical Features ◽  
Assembled Monolayers ◽  
Gold Thiolate

<div><div><div><p>A new reactive force field based on the ReaxFF formalism is effectively parametrized against an extended training set of quantum chemistry data (containing more than 120 different structures) to describe accurately silver- and silver-thiolate systems. The results obtained with this novel representation demonstrate that the novel ReaxFF paradigm is a powerful methodology to reproduce more appropriately average geometric and energetic properties of metal clusters and slabs when compared to the earlier ReaxFF parametrizations dealing with silver and gold. ReaxFF cannot describe adequately specific geometrical features such as the observed shorter distances between the under-coordinated atoms at the cluster edges. Geometric and energetic properties of thiolates adsorbed on a silver Ag20 pyramid are correctly represented by the new ReaxFF and compared with results for gold. The simulation of self-assembled monolayers of thiolates on a silver (111) surface does not indicate the formation of staples in contrast to the results for gold-thiolate systems.</p></div></div></div>

Three energetic salts based on oxy-bridged bis( gem -dinitro) furazan: Syntheses, structures and thermal behaviors

2014 ◽  
Vol 423 ◽  
pp. 256-262 ◽  
Author(s):  
Hui Li ◽  
Feng-Qi Zhao ◽  
Hong-Xu Gao ◽  
Jun-Feng Tong ◽  
Bo-Zhou Wang ◽  
...  
Keyword(s):  
Thermal Behaviors ◽  
Energetic Salts

Insight into the thermostability and low sensitivity of energetic salts based on planar fused-triazole cation

Polyhedron ◽  
2021 ◽  
Vol 201 ◽  
pp. 115158
Author(s):  
Chengming Bian ◽  
Qunying Lei ◽  
Ji Zhang ◽  
Xiang Guo ◽  
Zhinan Ma ◽  
...  
Keyword(s):  
Energetic Salts ◽  
Low Sensitivity ◽  
Insight Into
Sign in / Sign up

Export Citation Format

Share Document