Dinitromethyl groups enliven energetic salts DOI Creative Commons
Yifei Zhou, Haixiang Gao, Jean’ne M. Shreeve

и другие.

Energetic Materials Frontiers, Год журнала: 2020, Номер 1(1), С. 2 - 15

Опубликована: Июнь 1, 2020

The research focus of studies on energetic salts has been to achieve targeted synthesis, structure and performance through modification the organic anion cation by addition functional groups. In this review, development direction trend synthesis which contain dinitromethyl groups are considered briefly from perspective structural design, strategy evaluation. moiety behaves as an excellent "explosophore" in high energy density materials. Developing new convenient synthetic routes featuring group is great value wider chemistry community. As a result, introduction continued increase rapidly.

Язык: Английский

Energetic Cocrystallization as the Most Significant Crystal Engineering Way to Create New Energetic Materials DOI
Guangrui Liu, Rupeng Bu, Xin Huang

и другие.

Crystal Growth & Design, Год журнала: 2022, Номер 22(2), С. 954 - 970

Опубликована: Янв. 13, 2022

Crystal engineering is a highly efficient way to create new materials with the desired properties. Energetic cocrystallization has been thriving for ∼10 years since appearance of series TNT-based energetic cocrystals (ECCs). ECCs serve as one important aspect crystal (EMs). This article presents brief overview regarding component, intermolecular interaction, packing structure, main properties, and preparation, well theoretical treatment some issues raised future development. In most cases, properties an ECC are each moderated between those pure components, setting basis tuning by existing molecules, instead synthesizing molecules; meanwhile, there also exceptions, such higher density, detonation or lower impact sensitivity in comparison both components. These exceptions mutated will expand EMs. Generally, currently staying at primary stage, much effort being required solve urgent issues, property evaluation, large-scale fabrication, applications. Still, promising alternative EMs after all, it huge challenge synthesize satisfactory molecule.

Язык: Английский

Процитировано

30

Insights into Structural and Energetic Features of 3,5-Dinitropyrazole-4-carboxylic Acid and Its Energetic Salts DOI
Krishna Pandey, Priyanka Das, Prachi Bhatia

и другие.

Crystal Growth & Design, Год журнала: 2024, Номер 24(16), С. 6790 - 6799

Опубликована: Июль 31, 2024

The dominance of nitro pyrazole-based explosives in the recently reported high-performing energetic materials motivated us to comprehensively investigate energy–stability correlation among different compounds based on 3,5-dinitro pyrazoles employing various computational methods. We also explored and physicochemical properties overlooked compound 3,5-dinitropyrazole-4-carboxylic acid (CDNP). This study revealed that CDNP exhibits highest thermal stability 4-substituted-3,5-dinitropyrazoles, combined with an acceptable performance. These characteristics are attributed its layered packing, strong intermolecular interactions, carbonyl bonds. Furthermore, dicationic salt formation further allowed fine-tune overall performance stability. dihydroxylammonium (5) shows best performance, comparable well-known traditional explosive TATB, good low sensitivity toward impact friction.

Язык: Английский

Процитировано

8

Co-agglomerated crystals of cyclic nitramines with the nitrogen rich 3,6-bis(1H-1,2,3,4-tetrazol-5-ylamino)-1,2,4,5-tetrazine (BTATz) DOI
Veerabhadragouda B. Patil, Petr Bělina, W. A. Trzciński

и другие.

Chemical Engineering Journal, Год журнала: 2024, Номер 483, С. 149029 - 149029

Опубликована: Янв. 23, 2024

Язык: Английский

Процитировано

7

Determining the mechanical and decomposition properties of high energetic materials (α-RDX, β-HMX, and ε-CL-20) using a neural network potential DOI
Mingjie Wen, Xiaoya Chang, Yabei Xu

и другие.

Physical Chemistry Chemical Physics, Год журнала: 2024, Номер 26(13), С. 9984 - 9997

Опубликована: Янв. 1, 2024

NNP models covering three typical C/H/N/O element HEMs were developed to capture the mechanical and decomposition properties of RDX, HMX CL-20. The trajectory is mainly divided into two stages: pyrolysis oxidation.

Язык: Английский

Процитировано

7

Dinitromethyl groups enliven energetic salts DOI Creative Commons
Yifei Zhou, Haixiang Gao, Jean’ne M. Shreeve

и другие.

Energetic Materials Frontiers, Год журнала: 2020, Номер 1(1), С. 2 - 15

Опубликована: Июнь 1, 2020

The research focus of studies on energetic salts has been to achieve targeted synthesis, structure and performance through modification the organic anion cation by addition functional groups. In this review, development direction trend synthesis which contain dinitromethyl groups are considered briefly from perspective structural design, strategy evaluation. moiety behaves as an excellent "explosophore" in high energy density materials. Developing new convenient synthetic routes featuring group is great value wider chemistry community. As a result, introduction continued increase rapidly.

Язык: Английский

Процитировано

44