Article
Chemistry, Inorganic & Nuclear
Hyeonsoo Cho, Yeongjin Kim, Soochan Lee, Kuktae Kwon, Hae-Wook Yoo, Hoi Ri Moon, Wonyoung Choe
Summary: By changing their building components, the energetic properties of multicomponent explosive materials can be modified for higher detonation capabilities and reduced safety risks. We synthesized energetic coordination polymers (ECPs) using a 5,5'-bis(tetrazole)-1,1'-diolate linker and a N,N-dimethylacetamide (DMA) solvent, along with Cu and Mn metal cations. The structures, energetic properties, and sensitivity of these ECPs were comprehensively studied, revealing excellent insensitivity due to the long chain-to-chain distances created by the DMA solvent molecules.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Qin Wang, Yun-Fan Yan, Jiao-Lin Weng, Ying Huang, Fu Yang, Hao-Hui Xie, Fei Tan, Fa-Kun Zheng, Jian-Gang Xu
Summary: Balancing energy and mechanical sensitivities is a challenging issue in the field of energetic materials. This study constructed a 3D energetic metal-organic framework with nitrogen-rich ligand and NO3- anions. The framework demonstrated high stability, energy density, and excellent mechanical sensitivities, making it a potential insensitive energetic material.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Zhen-Li Yang, Yue-Mei Wu, Piao He, Wen-li Cao, Saira Manzoor, Jian-Guo Zhang
Summary: The study has successfully synthesized a series of 3-amino-5-hydrazinopyrazole energetic salts with excellent performance, which opens up more prospects for the design of insensitive and novel high-energy green materials.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Physical
Jian Liu, Shicao Zhao, Bowen Duan, Xudong He, Chunming Yang, Xuemei Pu, Xinben Zhang, Yonghao Xiao, Fude Nie, Wen Qian, Geng Li, Chaoyang Zhang
Summary: This study proposes a high-throughput design method that accelerates the autonomous design of novel energetic molecules through accurate prediction and efficient screening. The research utilizes quantum chemistry and machine learning models, and develops an easy-to-use platform that integrates multiple methods and models to achieve high-throughput design of energetic molecules.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Inorganic & Nuclear
Egor S. Zhilin, Ivan Ananyev, Alla N. Pivkina, Leonid L. Fershtat
Summary: Nitrogen-oxygen organic materials are important multipurpose high-energy materials. This study synthesized novel hybrid organic compounds with high nitrogen-oxygen contents and good experimental densities, which exhibit superior detonation performance and moderate mechanical sensitivity. These materials have potential applications as booster explosives or oxidizers.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Michael S. Gruhne, Tobias Lenz, Markus Roesch, Marcus Lommel, Maximilian H. H. Wurzenberger, Thomas M. Klapoetke, Joerg Stierstorfer
Summary: The study details the preparation of 1-NET and 2-NET through nitration and alkylation, characterizing them using various methods and developing a new synthetic approach. Coordination compounds based on 1-NET and 2-NET were prepared, characterized, and tested for performance and stability, showing potential as green combustion catalysts. The successful initiation experiments for several complexes and laser ignition experiments provide valuable insights into the application of these energetic coordination compounds.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Margarita A. A. Epishina, Alexander S. S. Kulikov, Ivan V. V. Ananyev, Aleksei A. A. Anisimov, Konstantin A. A. Monogarov, Leonid L. L. Fershtat
Summary: In this study, novel melt-castable explosives and energetic plasticizers incorporating a (1,2,3-triazolyl)furazan scaffold enriched with nitro and nitratomethyl explosophoric functionalities were synthesized. The regioisomeric (nitratomethyltriazolyl)furazans with significantly different physicochemical properties were prepared, classifying them as either melt-castable substances or energetic plasticizers. Hirshfeld surface calculations were performed to better understand the relationship between the molecular structure and sensitivity.
DALTON TRANSACTIONS
(2023)
Article
Physics, Applied
Ju Hwan (Jay) Shin, Min Zhou
Summary: This study focuses on the response of composites consisting of high-explosive crystals and a polymeric binder under electrostatic excitation. The distributions of induced electric field vector and mechanical stress in the microstructures are examined, along with the effects of crystal-binder volume fraction, crystal size, and dielectric constants. The research suggests that controlled dielectric breakdown can be used to facilitate hotspot formation within energetic materials.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Chemistry, Inorganic & Nuclear
Yuteng Cao, Kangcai Wang, Siwei Song, Yu Liu, Wenquan Zhang
Summary: In this study, two novel energetic metal-organic frameworks (EMOFs) were experimentally obtained and characterized. EMOF 4 exhibited outstanding thermostability and high energy, while EMOF 6 showed lower decomposition temperatures. The results highlight the importance of coordination interactions in enhancing the thermal stability and energy properties of EMOFs.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Zhicun Feng, Yu Zhang, Yanan Li, Kangzhen Xu
Summary: The adjacent N -> O and C-NH(2 )groups (O <- N=C-NH2) structure, discovered through crystal engineering, is an efficient and balanced amphoteric energetic structure that greatly enriches the variety of amphoteric EMs.
Article
Chemistry, Physical
Maximilian Benz, Thomas M. Klapoetke, Joerg Stierstorfer, Michael Voggenreiter
Summary: 1-Amino-5-nitriminotetrazole has been synthesized for the first time via acid-catalyzed protection and aprotic nitration, and its salts have been synthesized by addition of corresponding bases. Most of the nitrogen-rich salts exhibit insane explosive properties, competing with the most powerful non-nuclear explosives. The introduction of a fused triazolium cation results in a promising secondary explosive with high performance, low sensitivity, and high thermal stability. Metal salts (K and Ag) are successfully used to initiate pentaerythritol tetranitrate using a classical detonator setup.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Liang-hong Xia, Yan-na Wang, Xiao-ming Yang, Lin-na Liang, Zhi-min Li, Tong-lai Zhang
Summary: Researchers synthesized DATMTDA compound and formed two copper coordination compounds by introducing different anions. These compounds exhibited good crystalline properties and thermal decomposition activity, and can be used for the regulation of energetic materials.
Article
Chemistry, Multidisciplinary
Alexander A. Larin, Alexander Shaferov, Alexander S. Kulikov, Alla N. Pivkina, Konstantin A. Monogarov, Artem O. Dmitrienko, Ivan Ananyev, Dmitry Khakimov, Leonid L. Fershtat, Nina N. Makhova
Summary: Novel energetic materials comprising azo-bridged furoxanylazoles with high nitrogen-oxygen contents and high thermal stability were designed and synthesized, showing excellent detonation performance. The study demonstrated that the substitutions of explosophoric moieties on the nitro and azo fragments can increase the density of energetic materials. The synthesized compounds exhibit good experimental densities, high enthalpies of formation, and promising potential as alternatives to existing explosives.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Physical
Jinya Zhang, Jinxiong Cai, Nihan Chen, Teng Fei, Chunlin He, Siping Pang
Summary: In this study, a novel oxidizer with improved density and thermal stability was designed and synthesized. The oxidizer exhibits high positive oxygen balance and high specific impulse, making it a promising candidate for an energetic oxidizer.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Engineering, Environmental
Shreyasi Banik, Abhishek Kumar Yadav, Parasar D. Kumar, Vikas D. Ghule, Srinivas Dharavath
Summary: FOX-7 is a unique explosive with high density, oxygen balance, and dinitro groups, which exhibit superior detonation performance and stability. Due to its versatile molecular structure, FOX-7 is extensively studied and considered as a promising precursor for developing new explosives, propellants, and pyrotechnics.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Simon M. J. Endrass, Andreas Neuer, Thomas M. Klapoetke, Joerg Stierstorfer
Summary: In this study, 5-Methyl-2,4,6-trinitrobenzene-1,3-diol was synthesized and its vapor pressure was analyzed using the transpiration method. Several energetic coordination compounds of its respective anion were prepared and compared with structurally close styphnate complexes to understand the physiochemical trends. The synthesized compounds were further analyzed by various methods and tested for their sensitivities towards mechanical stimuli and flame behavior.
Article
Chemistry, Multidisciplinary
Maximilian Benz, Thomas M. Klapoetke, Niklas Koelbl, Jürgen Kuch, Tobias Lenz, Ersel Parigi, Jörg Stierstorfer
Summary: In this study, the known material pentaerythritol tetranitrate (PETN) was modified by introducing nitramine, ionic nitramine, amine, ionic amine, and tetrazole functionalities. The obtained compounds, which are structurally similar to PETN, show potential to replace toxic TNT based on their sensitivity, thermal behavior, and performance.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Organic
Veronika Fuchs, Konstantin Karaghiosoff, Thomas M. Klapoetke, Joerg Stierstorfer, Michael Voggenreiter
Summary: By introducing azide and tetrazole functionalities to an oxetane ring, energetic oxetanes with higher nitrogen contents than previously reported were synthesized. The synthesized derivatives were characterized through various methods and their crystal structures were determined. Their sensitivities and energetic properties were also evaluated.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Markus Roesch, Michael S. Gruhne, Marcus Lommel, Simon M. J. Endrass, Joerg Stierstorfer
Summary: In this study, nitrogen-rich endothermic ligands 1vinyl-5H-tetrazole (1-VTZ, 1) and 1-allyl-5H-tetrazole (1-ATZ, 2) were used to form energetic coordination compounds (ECCs) with 3d metal ions (Mn2+, Fe2+, Cu2+, Zn2+, Co2+, Ni2+). The performance and sensitivity of the complexes were discussed by varying the ligands and chain length. The compounds were characterized and evaluated for their energetic performances using various analytical methods and sensitivity tests.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Applied
Thomas M. Klapoetke, Guillaume Lemarchand, Tobias Lenz, Moritz Muehlemann, Joerg Stierstorfer, Fabian Venetz, Ralf Weber, Jens Wutke
Summary: The sensitivity of pentaerythritol tetranitrate (PETN) during the manufacturing process is investigated. Limited literature is available about the explosive during production, making it necessary to have a deeper understanding of safety parameters for optimization or changes in the process. Thus, a small-scale laboratory reactor is used to simulate the industrial process. Impact and friction sensitivities of emergency drowned, spent acid wet, and acid washed PETN are examined, along with samples taken from the filter of the SSE production. This data will enhance handling safety and plant design.
PROPELLANTS EXPLOSIVES PYROTECHNICS
(2023)
Article
Chemistry, Organic
Elena Reinhardt, Simon Thamm, Joerg Stierstorfer, Thomas M. Klapoetke
Summary: In this study, six different energetic salts and three new derivatives of methylene bridged nitropyrazoles were synthesized and extensively characterized. The compounds were evaluated for their sensitivities and energetic properties. The effect of introducing methylamino and methylnitramino groups in alkyl-bridged nitropyrazole system on their properties was investigated. Additionally, the suitability of an azido compound as a potential metal-free primary explosive was examined.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Applied
Maximilian Benz, Arthur Delage, Thomas M. Klapoetke, Moritz Kofen, Joerg Stierstorfer
Summary: The research project aimed to identify a literature known explosive for future use as a melt-cast explosive. The substance should meet all industrially relevant requirements in addition to being theoretically suitable as a substitute. Extensive literature research was conducted to identify suitable candidates, followed by resynthesis and verification of key properties for the three most promising substances. If all criteria are met, synthesis optimization and preindustrial upscaling should be conducted.
PROPELLANTS EXPLOSIVES PYROTECHNICS
(2023)
Article
Chemistry, Applied
Thomas M. Klapoetke, Jasmin T. Lechner, Leon W. B. Stanislawski, Joerg Stierstorfer, Moritz Muhlemann, Guillaume Lemarchand
Summary: In this study, the synthesis of RDX via the intermediate TRAT was investigated as a possible alternative industrial production method. Feasible nitration methods from TRAT to RDX were also explored. The suitability for large-scale production, comparison of established methods, and feasibility of a new flow process were discussed.
PROPELLANTS EXPLOSIVES PYROTECHNICS
(2023)
Article
Chemistry, Multidisciplinary
Jasmin T. Lechner, Christian Riedelsheimer, Simon M. J. Endrass, Nina M. Gerold, Jennifer Heidrich, Burkhard Krumm, Joerg Stierstorfer, Thomas M. Klapoetke
Summary: Numerous nitramine bridged compounds with promising properties have been identified in the field of energetic materials. This study synthesized and characterized several new energetic materials and compared their properties to the traditional material RDX. The thermal behavior and sensitivities of these compounds were also investigated.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Organic
Maximilian Benz, Sabrina Doerrich, Thomas M. Klapoetke, Tobias Lenz, Mohamed Mouzayek, Joerg Stierstorfer
Summary: A bishydroxymethyl-1,2,3-triazole compound was synthesized through a [3+2]-cycloaddition reaction with selective nitration. The obtained 2-nitrotriazole exhibited high density (1.764g cm(-3)) and detonation velocity (8590 m s(-1)), and could be classified as an oxidizer with an oxygen balance towards CO of 12%. Additional rare representatives of 2-nitro-1,2,3-triazoles were also synthesized and characterized using N-15 NMR spectroscopy, crystal structure analysis, and elemental analysis.
Article
Chemistry, Multidisciplinary
Moritz Kofen, Alexander G. Harter, Thomas M. Klopotke, Jorg Stierstorfer
Summary: This study focused on the synthesis and characterization of energetic coordination compounds using 1,5-dimethyltetrazole as a ligand. The compounds were obtained by reacting 1,5-dimethyltetrazole with different metal cations and anions. The resulting complexes were investigated for their physicochemical properties and sensitivities.
ENERGETIC MATERIALS FRONTIERS
(2022)
Article
Chemistry, Inorganic & Nuclear
Josh Bauer, Maximilian Benz, Thomas M. Klapoetke, Joerg Stierstorfer
Summary: This article describes the synthesis and characterization of 1,5-diaminotetrazole and 2,5-diaminotetrazole, as well as the tuning and analysis of their derivatives. 2,5-Diaminotetrazole was successfully synthesized through purification steps and extensively characterized through various experimental techniques.
DALTON TRANSACTIONS
(2022)
Article
Materials Science, Multidisciplinary
Lukas Bauer, Maximilian Benz, Thomas M. Klapoetke, Cedric Pignot, Joerg Stierstorfer
Summary: In this study, a combined bis-heterocyclic system composed of 1-hydroxy-tetrazole and 1-hydroxy-1,2,4-triazole was successfully synthesized, and its characterization and evaluation were conducted through a series of experiments and analysis.
MATERIALS ADVANCES
(2022)
Article
Chemistry, Inorganic & Nuclear
Thomas M. Klapoetke, Burkhard Krumm, Jasmin T. Lechner, Jorg Stierstorfer
Summary: In this study, the deuterium effect of N-deuterated compounds on structural and thermal behavior was investigated using 1,1-diamino-2,2-dinitroethylene (FOX-7). Deuteration of FOX-7 was achieved by deprotonation in heavy water and subsequent acidification. The progress of deuteration was monitored using infrared spectra analysis and the level of deuteration was determined using q-NMR. The properties of FOX-7-D-4 were studied using single crystal X-ray diffraction and differential thermal analysis, and the activation energy of thermal decomposition, heat of formation, and zero-point energy were calculated.
DALTON TRANSACTIONS
(2022)
Article
Education, Scientific Disciplines
Michael Scheid, Laura Pohl, Magdalena Rusan, Thomas M. Klapoetke, Stefan Schwarzer
Summary: Sparklers offer various topics for chemistry education, including redox chemistry, environmental impacts, and current research in pyrotechnics. The focus of this unit is on producing sparklers as a school experiment and testing their effects on living organisms. By passing sensitivity tests based on German safety guidelines, students can safely produce sparklers.