Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
8.1
4.9
Journals
IJMS
Special Issues
Molecular Research on Energetic Materials
ijms-logo
Submit to Special Issue Submit Abstract to Special Issue Review for IJMS Propose a Special Issue

Journal Menu

► Journal Menu

Journal Browser

► Journal Browser
share announcement

Molecular Research on Energetic Materials

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Materials Science".

Deadline for manuscript submissions: 20 January 2025 | Viewed by 7051

Special Issue Editor

Dr. Jonas Sarlauskas

E-Mail Website1 Website2
Guest Editor
Life Science Center, Institute of Biochemistry, Vilnius University, Sauletekio av. 7, LT-10257 Vilnius, Lithuania
Interests: nitrocompounds; nitramines; energetic materials; N-oxides; azides; N-heterocycles; synthesis; molecular structure; toxicity; ecotoxicology
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The aim of this Special Issue is to represent new approaches in molecular design, synthesis, structure investigation and detailed property exploration of the new high-energy compounds.

The Special Issue will not only summarize efforts in the creation of new molecules with improved energetic characteristics, but will also pay special attention to innovative structure moieties, an application of traditional and new explosoforic groups, “green” synthesis methods, proposing new chemical structures with balanced characteristics, including high density, perfect stability and high power together with low sensitivity and optimized cost-effective preparation schemes.

Further additions to this issue will include methods of detailed investigation of crystal structures of high-energy materials with X-ray diffraction analysis and other modern methods.

An important addition to this issue could also be the exploration of preliminary toxicity studies and potential environmental impact of new energetic compounds.

Topics of interest for publication include but are not limited to:

  • Theoretical design of new energetic molecules and/or structure optimization of the known compounds;
  • Innovative application of traditional (-NO2, ONO2, N-NO2, N3) explosoforic groups and proposition of the new ones;
  • Novel and improved synthesis methods of advanced high-energy materials;
  • Creation of high-energy materials with improved but balanced properties and eco-friendly energetic compounds.

Dr. Jonas Sarlauskas
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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

  • high-energy materials (HEMs)
  • theoretical modeling
  • molecular design
  • crystal and molecular structure studies
  • optimized molecular structures
  • explosoforic group application
  • energetic properties improving
  • effective synthesis
  • balanced properties of HEMs
  • “green” HEMs

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.

Further information on MDPI's Special Issue polices can be found here.

Published Papers (5 papers)

Download All Papers
Order results
Result details
Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:

Research

23 pages, 7783 KiB  
Article
Energetic Coordination Compounds: Investigation of Aliphatic Ligands and Development of Prototype Detonators
by Klaudia Pawlus, Agnieszka Stolarczyk, Tomasz Jarosz, Mateusz Polis, Konrad Szydlo, Łukasz Hawełek, Sylwia Waśkiewicz and Mieczysław Łapkowski
Int. J. Mol. Sci. 2024, 25(16), 8645; https://doi.org/10.3390/ijms25168645 - 8 Aug 2024
Viewed by 824
Abstract
In this work, energetic coordination compounds (ECCs) of transition metals (Fe, Ni, Cu, Zn) containing aliphatic amines as ligands were synthesized: ethylenediamine; 1,3-diaminopropane; tris(2-aminoethyl)amine; tris(3-aminopropyl)amine. The compounds were investigated in terms of ignition/explosion temperature, friction and impact sensitivity. For selected compounds, structural characterisation [...] Read more.
In this work, energetic coordination compounds (ECCs) of transition metals (Fe, Ni, Cu, Zn) containing aliphatic amines as ligands were synthesized: ethylenediamine; 1,3-diaminopropane; tris(2-aminoethyl)amine; tris(3-aminopropyl)amine. The compounds were investigated in terms of ignition/explosion temperature, friction and impact sensitivity. For selected compounds, structural characterisation was presented (IR-ATR spectroscopy, Raman spectroscopy) and their morphology was determined (SEM, powder XRD). They were also investigated by differential scanning calorimetry (DSC). In order to assess the potential application of selected ECCs in detonators, underwater explosion tests were carried out, determining energetic performance. The results achieved for detonators containing ECCs were compared with those for reference detonators (containing pentaerythritol tetranitrate, PETN), indicating their potential use as a “green” alternative to nitric acid esters. Full article
(This article belongs to the Special Issue Molecular Research on Energetic Materials)
►▼ Show Figures

Figure 1

15 pages, 4455 KiB  
Communication
Convenient Preparation, Thermal Properties and X-ray Structure Determination of 2,3-Dihydro-5,6,7,8-tetranitro-1,4-benzodioxine (TNBD): A Promising High-Energy-Density Material
by Jonas Šarlauskas
Int. J. Mol. Sci. 2024, 25(10), 5099; https://doi.org/10.3390/ijms25105099 - 7 May 2024
Viewed by 937
Abstract
2,3-dihydro-5,6,7,8-tetranitro-1,4-benzodioxine (TNBD), molecular formula = C8H4N4O10, is a completely nitrated aromatic ring 1,4-benzodioxane derivative. The convenient method of TNBD synthesis was developed (yield = 81%). The detailed structure of this compound was investigated by X-ray [...] Read more.
2,3-dihydro-5,6,7,8-tetranitro-1,4-benzodioxine (TNBD), molecular formula = C8H4N4O10, is a completely nitrated aromatic ring 1,4-benzodioxane derivative. The convenient method of TNBD synthesis was developed (yield = 81%). The detailed structure of this compound was investigated by X-ray crystallography. The results of the thermal analysis (TG) obtained with twice re-crystallized material revealed the onset at 240 °C (partial sublimation started) and melting at 286 °C. The investigated material degraded completely at 290–329 °C. The experimental density of 1.85 g/cm3 of TNBD was determined by X-ray crystallography. The spectral properties of TNBD (NMR, FT-IR and Raman) were explored. The detonation properties of TNBD calculated by the EXPLO 5 code were slightly superior in comparison to standard high-energy material—tetryl (detonation velocity of TNBD—7727 m/s; detonation pressure—278 kbar; and tetryl—7570 m/s and 226.4 kbar at 1.614 g/cm3, or 260 kbar at higher density at 1.71 g/cm3. The obtained preliminary results might suggest TNBD can be a potential thermostable high-energy and -density material (HEDM). Full article
(This article belongs to the Special Issue Molecular Research on Energetic Materials)
►▼ Show Figures

Figure 1

11 pages, 3335 KiB  
Article
Polyvalent Ionic Energetic Salts Based on 4-Amino-3-hydrazino-5-methyl-1,2,4-triazole
by Qiuhan Lin, Mingmin Zhang, Linan Zhang, Mimi Zhu, Kaiyi Qin and Pengcheng Wang
Int. J. Mol. Sci. 2023, 24(17), 13136; https://doi.org/10.3390/ijms241713136 - 24 Aug 2023
Cited by 2 | Viewed by 1397
Abstract
The synthesis of the new energetic material 4-amino-3-hydrazino-5-methyl-1,2,4-triazole, which shows excellent performance and reliable safety, has drawn attention recently. To fully characterize this material, a comprehensive analysis was performed using various techniques, including differential scanning calorimetry (DSC), infrared spectroscopy (IR), elemental analysis, and [...] Read more.
The synthesis of the new energetic material 4-amino-3-hydrazino-5-methyl-1,2,4-triazole, which shows excellent performance and reliable safety, has drawn attention recently. To fully characterize this material, a comprehensive analysis was performed using various techniques, including differential scanning calorimetry (DSC), infrared spectroscopy (IR), elemental analysis, and 1H and 13C NMR spectroscopy. Additionally, three compounds, 3, 5 and 9, were further characterized using single X-ray diffraction. The X-ray data suggested that extensive hydrogen bonds affect molecular structure by means of intermolecular interactions. In order to evaluate the explosive properties of these synthesized compounds, detonation pressures and velocities were calculated using EXPLO5 (V6.01). These calculations were carried out utilizing experimental data, including density and heat of formation. Among the explosives tested, compounds 7 and 8 exhibited zero oxygen balance and demonstrated exceptional detonation properties. Compound 7 achieved the highest recorded detonation pressure, at 34.2 GPa, while compound 8 displayed the highest detonation velocity, at 8887 m s−1. Full article
(This article belongs to the Special Issue Molecular Research on Energetic Materials)
►▼ Show Figures

Figure 1

11 pages, 2731 KiB  
Article
Asymmetrical Methylene-Bridge Linked Fully Iodinated Azoles as Energetic Biocidal Materials with Improved Thermal Stability
by Xinyuan Zhao, Xun Zhang, Yan Liu, Siping Pang and Chunlin He
Int. J. Mol. Sci. 2023, 24(13), 10711; https://doi.org/10.3390/ijms241310711 - 27 Jun 2023
Viewed by 1444
Abstract
The instability and volatility of iodine is high, however, effective iodine biocidal species can be readily stored in iodinated azoles and then be released upon decomposition or detonation. Iodine azoles with high iodine content and high thermal stability are highly desired. In this [...] Read more.
The instability and volatility of iodine is high, however, effective iodine biocidal species can be readily stored in iodinated azoles and then be released upon decomposition or detonation. Iodine azoles with high iodine content and high thermal stability are highly desired. In this work, the strategy of methylene bridging with asymmetric structures of 3,4,5-triiodo-1-H-pyrazole (TIP), 2,4,5-triiodo-1H-imidazol (TIM), and tetraiodo-1H-pyrrole (TIPL) are proposed. Two highly stable fully iodinated methylene-bridged azole compounds 3,4,5-triiodo-1-((2,4,5-triiodo-1H-imidazol-1-yl)methyl)-1H-pyrazole (3) and 3,4,5-triiodo-1-((tetraiodo-1H-pyrrol-1-yl)methyl)-1H-pyrazole (4) were obtained with high iodine content and excellent thermal stability (iodine content: 84.27% for compound 3 and 86.48% for compound 4; Td: 3: 285 °C, 4: 260 °C). Furthermore, their composites with high-energy oxidant ammonium perchlorate (AP) were designed. The combustion behavior and thermal decomposition properties of the formulations were tested and evaluated. This work may open a new avenue to develop advanced energetic biocidal materials with well-balanced energetic and biocidal properties and versatile functionality. Full article
(This article belongs to the Special Issue Molecular Research on Energetic Materials)
►▼ Show Figures

Figure 1

12 pages, 3833 KiB  
Communication
Enhanced Energetic Performance via the Combination of Furoxan and Oxa-[5,5]bicyclic Structures
by Qi Zhang, Xun Zhang, Siping Pang and Chunlin He
Int. J. Mol. Sci. 2023, 24(10), 8846; https://doi.org/10.3390/ijms24108846 - 16 May 2023
Cited by 1 | Viewed by 1783
Abstract
Three new compounds based on the combination of furoxan (1,2,5-oxadiazole N-oxide) and oxa-[5,5]bicyclic ring were synthesized. Among them, the nitro compound showed satisfactory detonation properties (Dv, 8565 m s−1; P, 31.9 GPa), which is comparable to the [...] Read more.
Three new compounds based on the combination of furoxan (1,2,5-oxadiazole N-oxide) and oxa-[5,5]bicyclic ring were synthesized. Among them, the nitro compound showed satisfactory detonation properties (Dv, 8565 m s−1; P, 31.9 GPa), which is comparable to the performance of RDX (a classic high-energy secondary explosive). Additionally, the introduction of the N-oxide moiety and oxidation of the amino group more effectively improved the oxygen balance and density (d, 1.81 g cm−3; OB%, +2.8%) of the compounds compared to furazan analogues. Combined with good density and oxygen balance as well as moderate sensitivity, this type of furoxan and oxa-[5,5]bicyclic structure will open up a platform for the synthesis and design of new high-energy materials. Full article
(This article belongs to the Special Issue Molecular Research on Energetic Materials)
►▼ Show Figures

Figure 1

Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:
 
Displaying articles 1-5
Back to TopTop