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Energetic Compounds: Synthesis and Application

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Applied Chemistry".

Deadline for manuscript submissions: 31 May 2024 | Viewed by 826

Special Issue Editor


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Guest Editor
State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, China
Interests: energetic materials; explosives; first principle calculation; molecular dynamics calculation; combustion and detonation; laser interaction energetic materials; microwave interaction energetic materials

Special Issue Information

Dear Colleagues,

Energetic materials with energetic groups can carry out rapid chemical reactions independently while releasing a large amount of heat and high-temperature and high-pressure gases. Energetic materials are an important part of explosives, propellants and pyrotechnics. Energetic materials are widely used in aerospace, resource exploration and other fields. The design, synthesis, preparation, characterization, reaction mechanism, energy release law, and safety performance evaluation of new energy materials are of great significance to promoting the development of energy materials. In the process of research, people are committed to promoting the in-depth understanding of the rapid chemical reaction mechanism of energetic materials through advanced theory and computational analysis means, while improving the research efficiency and reducing the cost of energetic materials.

This Special Issue, entitled “Energetic Compounds: Synthesis and Application”, is focused on the design, synthesis, preparation and characterization and theoretical analysis of new energetic materials. This Special Issue solicits the latest research progress in the development of energetic materials, including but not limited to the following: molecular design and performance optimization of new energetic materials, synthesis and characterization of new energetic materials, theoretical research on quantitative calculation, first principles and molecular dynamics calculation of energetic materials, and the reaction mechanisms and response laws of energetic materials under different stimulation conditions.

Dr. Junying Wu
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • energetic materials
  • explosives
  • propellants
  • first principles calculation
  • molecular dynamics calculation
  • thermal decomposition
  • combustion and detonation
  • laser interaction energetic materials
  • microwave interaction energetic materials

Published Papers (1 paper)

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Research

12 pages, 5782 KiB  
Article
High-Density Energetic Materials with Low Mechanical Sensitivity and Twinning Derived from Nitroimidazole Fused Ring
by Yaxin Liu, Meifang Lv, Guofeng Zhang, Zhen Dong and Zhiwen Ye
Molecules 2024, 29(2), 353; https://doi.org/10.3390/molecules29020353 - 10 Jan 2024
Viewed by 700
Abstract
The innovative synthesis of 3,8-dibromo-2,9-dinitro-5,6-dihydrodiimidazo [1,2-a:2′,1′-c]pyrazine and 3,9-dibromo-2,10-dinitro-6,7-dihydro-5H-diimidazo [1,2-a:2′,1′-c][1,4]diazepine is described in this study. The tricyclic fused molecular structures are formed by the respective amalgamation of piperazine and homopiperazine with the imidazole ring containing nitro. Compound 1 and 2 possess excellent [...] Read more.
The innovative synthesis of 3,8-dibromo-2,9-dinitro-5,6-dihydrodiimidazo [1,2-a:2′,1′-c]pyrazine and 3,9-dibromo-2,10-dinitro-6,7-dihydro-5H-diimidazo [1,2-a:2′,1′-c][1,4]diazepine is described in this study. The tricyclic fused molecular structures are formed by the respective amalgamation of piperazine and homopiperazine with the imidazole ring containing nitro. Compound 1 and 2 possess excellent high-density physical properties (ρ1 = 2.49 g/cm3, ρ2 = 2.35 g/cm3) due to the presence of a fused ring structure and Br atom. In addition to their high density, they have high decomposition temperatures (Td > 290 °C) which means that they have excellent thermal stability and can be used as potential heat-resistant explosives. Low mechanical sensitivities (IS > 40 J, FS > 360 N) are observed. The twinning structure of 2 was resolved by X-ray diffraction. Non-covalent interaction analysis, Hirshfeld surfaces, 2D fingerprint plot, and Electrostatic potential analysis were used to understand the intramolecular interactions in relation to physicochemical properties. The unique structures of this type of compound provide new potential for the evolution of energetic materials. Full article
(This article belongs to the Special Issue Energetic Compounds: Synthesis and Application)
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