Article
Chemistry, Applied
Yanlong Zhu, Li Ding, Luping Xu, Hai Chang, Xiaofeng Wang, Xiaoling Zhang
Summary: This study provides critical safety technical guidance for the synthesis process and safety design of DNTF by studying the thermal stabilities and safety parameters. It evaluates the hazard levels of the preparation process and the oxidation reaction process based on thermal safety parameters, offering important references for ensuring safety in the DNTF synthesis process.
ORGANIC PROCESS RESEARCH & DEVELOPMENT
(2022)
Review
Chemistry, Multidisciplinary
Y. Li, J. M. Yuan, W. Zhao, Y. Qu, X. W. Xing, J. W. Meng, Y. C. Liu
Summary: Energetic materials such as DNTF show superior energy performance, but face challenges in their application due to high mechanical sensitivity and poor thermal stability. This paper reviews the development of DNTF and considers future research and development perspectives.
RUSSIAN JOURNAL OF GENERAL CHEMISTRY
(2021)
Article
Engineering, Environmental
Guanchao Lan, Guangyuan Zhang, Hui Chao, Zhihua Li, Jianlong Wang, Jing Li
Summary: In this study, self-assembly reaction was used to establish TA and TA-Cu interface layers on DNTF surface, improving its performance. The properties of DNTF@TA and DNTF@TA-Cu composites were analyzed using various characterization techniques. The results showed that these composites had good coating effects, improved safety, enhanced thermal stability, and CuO acted as a catalyst for the decomposition of DNTF.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Yang Li, Yucun Liu, Junming Yuan, Yiming Luo, Qiuli Jiang, Fanfan Wang, Jingwei Meng
Summary: The study investigated the thermal decomposition mechanism of the new high-energy density material DNTF, revealing different pathways under various heating conditions. It was found that NO2 is the most active intermediate product and large molecular fragments like C2N2O were observed for the first time.
Article
Chemistry, Physical
Rebecca K. Lindsey, Sorin Bastea, Nir Goldman, Laurence E. Fried
Summary: This study utilizes a machine learning approach to rapidly tune density functional tight binding models for the accurate simulation of detonation chemistry in organic molecular materials. The resulting models enable simulations on ps scales and reveal the significant formation of large CxNyOz species in early shock chemistry, likely precursors to observed carbon condensates. Additionally, this approach can be used to generate quantum-based reference data for the development of full machine-learned interatomic potentials capable of simulation on even greater time and length scales.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Crystallography
Yue Qin, Junming Yuan, Hu Sun, Yan Liu, Hanpeng Zhou, Ruiqiang Wu, Jinfang Chen, Xiaoxiao Li
Summary: To investigate the crystallization of DNTF in modified double-base propellants, glycidyl azide polymer (GAP) was used as a coating material for the in situ coating of DNTF, and the performance of the coating was investigated to inhibit the crystallization. The results showed that GAP effectively reduced the impact sensitivity and friction sensitivity of DNTF by forming a white gel on the surface of DNTF crystals. Molecular dynamics calculations demonstrated that GAP improved the mechanical properties of DNTF, making it more ductile and tougher. The combination of experimental results and simulation calculations indicated that GAP can be a better cladding layer for DNTF, capable of inhibiting the crystallization problem in propellants.
Article
Biochemistry & Molecular Biology
Yanting Liang, Yiming Luo, Ruijun Gou, Xiaofeng Yuan, Qianjin Guo, Yahong Chen, Shuhai Zhang
Summary: This study investigates the effect of solvent on the growth morphology of DNTF. The modified attachment energy of each growth plane in different solvents is calculated using molecular dynamics simulation. It is found that the growth morphology of crystal in solvent is not only related to the adsorption strength of the solvent to the crystal plane, but also affected by the attraction of the crystal plane to the solute. The polarity of the solvent has a great influence on the crystal morphology.
JOURNAL OF MOLECULAR MODELING
(2023)
Article
Chemistry, Applied
Junjie Li, Wei Feng, Shichun Weng, Zichao Guo, Wanghua Chen
Summary: This paper characterized the synthesis process of 3,4-bis(4-Aminofurazano-3-yl) furoxan (DATF) and studied the effects of reaction parameters. It was found that extracting the intermediate 3-amino-4-oxycyanofurazan from the aqueous to organic phases improved the yield of DATF. The thermal risk analysis showed that the synthesis of DATF had low thermal risk.
ORGANIC PROCESS RESEARCH & DEVELOPMENT
(2023)
Article
Chemistry, Applied
Yuangang Xu, Shuaiqi Wang, Dongxue Li, Pengcheng Wang, Qiuhan Lin, Ming Lu
Summary: A safer, convenient, and scalable synthesis method for 3,4-bis(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole-2-oxide (BNFF or DNTF) is described. The obtained products were fully characterized and confirmed by single-crystal X-ray diffraction. The optimized tandem nitration-cyclization reaction process and thermal stability of the reaction system were studied. 3-Amino-4-(carboxymethyl)furazan is oxidized and treated with dilute mixed acid (HNO3 and H2SO4) to obtain BNFF with a yield of 52% and a purity of 99% after liquid chromatography analysis.
ORGANIC PROCESS RESEARCH & DEVELOPMENT
(2023)
Article
Chemistry, Multidisciplinary
Rui Yang, Yifei Liu, Zhen Dong, Haiyan Li, Zhiwen Ye
Summary: The design and synthesis of energetic compounds with azido groups have long been a focus of research in the field of energetic materials. The results suggest that 3-amino-4-(5-methyleneazide-1,2,4-oxadiazol-3-yl)furazan has potential value and could potentially replace traditional explosives.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Physical
Chenli Wei, Zeyu Guo, Yongjie Li, Jie Huang
Summary: A new nitrogen-rich energetic complex Cd(DMF)(2)BTZAF (1) was synthesized and characterized. The crystal structure revealed a distorted octahedral coordination of Cd2+ ion. Thermal decomposition studies showed compound 1's stability and insensitivity.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Medicinal
Baohui Qi, Fei Wang, Huan He, Mengmeng Fan, Liping Hu, Li Xiong, Guowei Gong, Shengmin Shi, Xiaomeng Song
Summary: In this study, a series of novel quinoline derivates were designed, synthesized, and evaluated for their biological activity. Compound 8m showed potent c-Met and Ron inhibitory activity, as well as cytotoxic activity against various cancer cell lines. Isomer (S)-8m demonstrated high selectivity towards COLO 205 cells and low cytotoxicity against normal tissue cells.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Article
Chemistry, Organic
Minghui Qi, Muhammad Suleman, Jianwei Xie, Ping Lu, Yanguang Wang
Summary: We report a simple and efficient method for the selective C-H bond insertion of copper carbenes generated in situ from 4-diazo-1,4-dihydroisoquinolin-3-ones into beta-C(sp(2))-H bonds of N-sulfonyl enamides. This reaction yields a series of 4-(1,4,5,6-tetrahydropyridin-3-yl)-1,4-dihydroisoquinolin-3(2H)-ones with good to excellent yields. The reaction benefits from its simple and mild reaction conditions, the use of a cheap catalyst, readily accessible starting materials, and a broad substrate scope.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Thermodynamics
Guanchao Lan, Xiao Li, Hui Chao, Na Wang, Chenglong Wei, Zhihua Li, Jianlong Wang
Summary: The solubilities of NTO were measured in multiple solvents, with the modified Apelblat equation identified as the best empirical model. Different correlation equations were adopted for binary solvents, all of which showed good agreement with experimental solubilities of NTO. This study can offer guidance for future crystallization research on NTO.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2021)
Article
Chemistry, Physical
Youqiang Yin, Ergang Yao, Libai Xiao, Jiachao Bai, Yinghui Ren, Haixia Ma, Fengqi Zhao, Wenzhong Shen
Summary: Four energetic ionic salts of BNTM were synthesized and characterized by various methods. Their thermal behaviors were explored and all of them exhibited good thermal stability. The catalytic effects of these salts on RDX and HMX were investigated, and (HA)2BNTM showed the best thermal safety.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Organic
Olga Golovina, Victor E. Parfenov, Pavel A. Slepukhin, Dmitry Khakimov, Aleksei B. Sheremetev, Vladimir V. Bakharev
Summary: The regioselective synthesis of N-1-alkylated products is achieved by the Michael addition of activated alkenes to ([1,2,4]triazolo[4,3-a][1,3,5]triazin-5-yl)dinitromethanides in the presence of K2HPO4. The structure of [7-(dimethylamino)-1-(3-oxobutyl)[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-yl]-dinitromethanide is confirmed by X-ray structural analysis. The reactivity of dinitromethanides is explained using quantum-chemical methods.
CHEMISTRY OF HETEROCYCLIC COMPOUNDS
(2022)
Article
Chemistry, Organic
Pavel S. Gribov, Dmitry F. Frank, Anfisa D. Getmanova, Kyrill Yu Suponitsky, Aleksei B. Sheremetev
Summary: A method has been optimized for the synthesis of 3-alkyl-1,5-dinitro-1,3,5-triazepanes, and the structure of the obtained compounds was studied using multinuclear NMR and X-ray structural analysis.
CHEMISTRY OF HETEROCYCLIC COMPOUNDS
(2022)
Article
Chemistry, Inorganic & Nuclear
V. Ovcharenko, S. Fokin, A. B. Sheremetev, K. Strizhenko, G. Romanenko, A. S. Bogomyakov, M. P. Egorov
Summary: Crystalline Cs salts with the difurazanopyrazine radical anion were synthesized and their structure and magnetic properties were investigated. A phase transition was observed where a shift of the radical anions' positions relative to each other in the stacks occurred, and strong magnetic exchange was found in the transformed phase.
JOURNAL OF STRUCTURAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
David B. Lempert, Anatoly I. Kazakov, Aleksei B. Sheremetev
Summary: This study estimated the relative efficacy of real energetic plasticizers and polymers in model solid composite propellants. It revealed the quantitative dependence of plasticizer efficiency on factors such as enthalpy of formation, oxygen coefficient, hydrogen percentage, and density. The plasticizer 3,4-dinitrofurazan tested as a binder showed higher effective impulse values compared to other plasticizers, up to approximately 2 seconds.
MENDELEEV COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
D. L. Lipilin, A. B. Sheremetev
Summary: This study demonstrates that primary nitramines can react with the triple bond of methyl propiolate to form 3-(nitramino)acrylates, which has led to the synthesis of several bromine derivatives.
RUSSIAN CHEMICAL BULLETIN
(2022)
Article
Chemistry, Multidisciplinary
A. G. Gladyshkin, A. A. Anisimov, I. Ananyev, A. N. Pivkina, I. L. Dalinger, A. B. Sheremetev
Summary: The conditions for introducing a nitro group at the 4-position of N-(fluorodinitroethyl)pyrazoles with an electron-withdrawing substituent at the 3-position have been discovered. The structures of the products were determined through multinuclear NMR spectroscopy and X-ray crystallographic analysis.
RUSSIAN CHEMICAL BULLETIN
(2022)
Article
Chemistry, Multidisciplinary
A. E. Frumkin, K. Yu Suponitsky, A. B. Sheremetev
Summary: It has been demonstrated that the amidoxime moiety of potassium salt of dinitroacetamidoxime can undergo cyclocondensation to form the 1,2,4-oxadiazole ring.
RUSSIAN CHEMICAL BULLETIN
(2022)
Article
Chemistry, Inorganic & Nuclear
V. I. Ovcharenko, A. S. Bogomyakov, S. V. Fokin, G. V. Romanenko, K. V. Strizhenko, A. B. Sheremetev, M. P. Egorov
Summary: This paper describes the structure of previously unknown compounds prepared by the oxidation of difurazanopyrazine in aqueous ammonia. The distances between the neighboring {L} in the compounds NH4(HL& BULL;)(HL)& BULL;3H(2)O and NH4(L-& BULL;)(x)(HL)(1-x)& BULL;H2O fall within a narrow range despite their different stackings of {L} fragments. The bond lengths and bond angles of molecules {L} in all the compounds are insignificantly different. The energy of interaction between paramagnetic centers in ammonium difurazanopyrazine salts is diminished due to decreased content of paramagnetic particles and increased distances between these particles.
JOURNAL OF STRUCTURAL CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Pavel S. Gribov, Natalia N. Kondakova, Natalia N. Il'icheva, Evgenia R. Stepanova, Anatoly P. Denisyuk, Vladimir A. Sizov, Varvara D. Dotsenko, Dmitry B. Vinogradov, Pavel V. Bulatov, Valery P. Sinditskii, Kyrill Yu. Suponitsky, Mikhail M. Il'in, Mukhamed L. Keshtov, Aleksei B. Sheremetev
Summary: In this study, a method for synthesizing energetic polymers containing furazan, 1,2,3-triazole rings, and nitramine groups in the polymer chain was developed using dialkyne and diazide comonomers with explosophoric groups. The method is solvent- and catalyst-free, simple, and effective, making it a promising tool for the synthesis of energetic polymers. The resulting polymer was fully characterized and showed potential as a binder base for energetic materials, surpassing nitrocellulose in several properties.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Multidisciplinary
Valery P. Sinditskii, Alexander A. Kushtaev, Nikolay Yudin, Anton I. Levshenkov, Natalia N. Kondakova, Marina A. Alekseeva
Summary: The thermal decomposition of deuterium derivatives alpha-FOX-7 and gamma-FOX-7 was investigated. Deuteration only affected the low-temperature decomposition of alpha-FOX-7. Crystal defects led to intermolecular hydrogen transfer and the formation of a highly reactive aci-form. The decomposition of the aci-form involved the molecular elimination of nitric acid and formation of nitrile N-oxide. The burning rate of FOX-7 isomers was controlled by the rate of heat release in the condensed phase, and the higher burning rate of alpha-FOX-7 was due to the presence of the reactive aci-form.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2023)
Article
Communication
Artur G. Ibragimov, Vagiz G. Gimaliev, Elena G. Khrisanova, Natalia S. Aleksandrova, Leyla B. Omarova, Andrey G. Bakiev
Summary: The usage of mobile devices, especially smartphones, is increasing among students in higher education. Researchers are studying the effectiveness of using smartphones in both face-to-face and distance education, which has become more prevalent due to COVID-19. This meta-analysis examines the data from previous experimental studies conducted over the past five years and finds a significant effect size of 3.73.
ONLINE JOURNAL OF COMMUNICATION AND MEDIA TECHNOLOGIES
(2023)
Article
Chemistry, Multidisciplinary
Pavel S. Gribov, Tat'yana S. Kon'kova, Kyrill Yu. Suponitsky, Aleksei B. Sheremetev
Summary: The synthesis and characterization of novel propargyl ethers of N-(hydroxymethyl)nitramines with one to four nitramine units are reported. The nitramine-functionalized ethers were well characterized using IR, multinuclear NMR spectroscopy, CHN analysis, and X-ray crystal structure analysis. The standard molar enthalpies of formation at 298.15 K were determined for ethers with two or three nitramine units using static bomb combustion calorimetry.
MENDELEEV COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Nikita V. Muravyev, Igor N. Melnikov, Dmitry K. Pronkin, Dmitry L. Lipilin, Kyrill Yu. Suponitsky, Aleksei B. Sheremetev, Igor L. Dalinger
Summary: This article reports a high-energy mesoionic liquid, 3-methylazasydnone, that can function as both a monopropellant and in bipropellant systems. It has high density, moderate volatility, good thermal stability, and is insensitive to impact. The computed combustion performance of the liquid propellant is superior to a benchmark energetic ionic liquid. Overall, 3-methylazasydnone is a promising functional material for green liquid mono- and bipropellants.
ACS MATERIALS LETTERS
(2023)
Article
Chemistry, Multidisciplinary
A. B. Sheremetev
Summary: The acetonitrile complex of hypofluorous acid HOF·MeCN was identified as an efficient oxidant for converting aminofurazans into nitrofurazans.
RUSSIAN CHEMICAL BULLETIN
(2022)
