Elucidation of the influence of trinitro-diazinotriazine isomerism on the energetic properties and stability: Insights from DFT approach DOI

Kalpana Sharma,

Rimpi Devi, Vikas D. Ghule

и другие.

Computational and Theoretical Chemistry, Год журнала: 2024, Номер unknown, С. 114931 - 114931

Опубликована: Окт. 1, 2024

Язык: Английский

Thinking Outside the Energetic Box: Stabilizing and Greening High-Energy Materials with Reticular Chemistry DOI
Qi Lai, Yangyang Long, Ping Yin

и другие.

Accounts of Chemical Research, Год журнала: 2024, Номер unknown

Опубликована: Сен. 12, 2024

ConspectusReticular chemistry has provided intriguing opportunities for systematically designing porous materials with different pores by adjusting the building blocks. Among them, framework have demonstrated outstanding performance design of new functional used in a broad range fields, including energetic materials. Energetic are widely rockets, satellites, mining, and tunneling. In terms materials, explosophores nitrogen-rich heterocycles fundamental blocks high-energy compounds. However, traditional strategy synthesizing HEDMs (high energy density materials) at molecular level faced long-term challenge balancing stability. Inspired reticular chemistry, offer diverse nitrogen sites diversified coordination interactions. Ionic bond interactions exist wide salts. Furthermore, most metastable explosophores, e.g., nitro, nitramino, amino groups, can form strong hydrogen-bonding networks. Based on these noncovalent (such as coordination, ionic, and/or hydrogen bonds (HBs)) covalent determine intermolecular packing/linkage fuel oxidizer components, provides platform evolving from single-molecular to various frameworks (E superior comprehensive properties. For example, achieve metals or introduce sufficient donor/acceptor structural units, host structure usually contains less oxygen-rich substituents such so molecules framework, F) crystal level, which enhance integrated stabilities EFs.Along growing concerns about environment safety issues, considerable effort been devoted pursuing environmentally friendly insensitive The newly emerging EFs conducive introducing into green chemical pathway. Benefiting cross-disciplinary achievements, taming specific is desensitize while concomitantly retaining excellent properties, become one forward promising investigations. past decade, achieved further results stabilizing greening using HBs, bonds, alkaline earth metal-involving avoid heavy metal toxicity employ halogen-free oxidizers. Because this field still expanding rapidly, it great value researchers possible users work be able view all progress.Through Account, we intend that more readers will knowledgeable EFs, their definition, history, synthesis, applications. aim Account present latest advances recent years perspective future direction field.

Язык: Английский

Процитировано

4

Insights into the adsorption mechanism of the selenite ion in a cationic metal–organic framework DOI
Hongbiao Huang,

Zhonghang Chen,

P. Amesh

и другие.

Chemical Engineering Journal, Год журнала: 2024, Номер 497, С. 154665 - 154665

Опубликована: Авг. 10, 2024

Язык: Английский

Процитировано

3

High-Energy and Thermally Stable Energetic Materials Based on an Azo-Fused Dinitramino Compound DOI

Teng Zhu,

Chengchuang Li,

Jie Tang

и другие.

Organic Letters, Год журнала: 2024, Номер unknown

Опубликована: Сен. 23, 2024

Here, azo-fused dinitramino energetic compound 5,5'-dinitramino-8,8'-azo-1,2,5-oxadiazolo[3,4-

Процитировано

0

Prediction of impact sensitivity and electrostatic spark sensitivity for energetic compounds by machine learning and density functional theory DOI
Qiong Wu, Xinyu Wang, Bin Yan

и другие.

Journal of Materials Science, Год журнала: 2024, Номер 59(20), С. 8894 - 8910

Опубликована: Май 1, 2024

Язык: Английский

Процитировано

0

Elucidation of the influence of trinitro-diazinotriazine isomerism on the energetic properties and stability: Insights from DFT approach DOI

Kalpana Sharma,

Rimpi Devi, Vikas D. Ghule

и другие.

Computational and Theoretical Chemistry, Год журнала: 2024, Номер unknown, С. 114931 - 114931

Опубликована: Окт. 1, 2024

Язык: Английский

Процитировано

0