推进能源化学：首次合成具有嘧啶分子的硫基 C-C 键噻二唑-吡嗪化合物

IF 3.5 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Dalton Transactions Pub Date : 2024-11-15 DOI:10.1039/d4dt02919d

Parasar Kumar, Vikas Ghule, Srinivas Dharavath

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引用次数: 0

摘要

考虑到多氮基和氧基有机支架结构组合的有限性及其局限性，合成了硫基高能材料 3 至 7。利用红外光谱（IR）、多核磁共振光谱（NMR）、高分辨率质谱（HRMS）、元素分析（EA）和差示扫描量热法（DSC）研究对所有化合物进行了全面表征。此外，化合物 3 的分子结构还得到了单晶 X 射线衍射研究（SC-XRD）的支持。所有化合物都具有良好的密度（1.68- 1.81 g cm-3）、适中的引爆性能（VOD= 5747-7075 m s-1；DP= 14.39-19.22 GPa）、较高的热稳定性（159-246 °C），并且对冲击和摩擦（IS > 40 J 和 FS > 360 N）刺激不敏感。这是吡嗪和噻二唑框架高能联盟的首个实例，可视为高能材料领域的一个发展步骤。

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Advancing Energetic Chemistry: First Synthesis of Sulfur-Based C-C Bonded Thiadiazole-Pyrazine Compounds with Nitrimino Moiety

Sulfur-based energetic materials 3 to 7 were synthesized considering the limited availability of structural combinations of polynitrogen and oxygen-based organic scaffolds advancing their limits. All of them were fully characterised using infrared spectroscopy (IR), multinuclear magnetic resonance spectroscopy (NMR), high-resolution mass spectrometry (HRMS), elemental analysis (EA), and differential scanning calorimetry (DSC) studies. Further, the molecular structure of compound 3 was supported using single-crystal X-ray diffraction studies (SC-XRD). All compounds possess good density (1.68- 1.81 g cm-3), moderate detonation performance (VOD= 5747-7075 m s-1; DP= 14.39-19.22 GPa), high thermal stability (159-246 °C) and are insensitive towards impact and friction (IS > 40 J and FS > 360 N) stimuli. This is the first instance of an energetic alliance of pyrazine and thiadiazole frameworks, which can be considered as a developmental step in energetic materials field.

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来源期刊

Dalton Transactions 化学-无机化学与核化学

CiteScore

6.60

自引率

7.50%

发文量

1832

审稿时长

1.5 months

期刊介绍： Dalton Transactions is a journal for all areas of inorganic chemistry, which encompasses the organometallic, bioinorganic and materials chemistry of the elements, with applications including synthesis, catalysis, energy conversion/storage, electrical devices and medicine. Dalton Transactions welcomes high-quality, original submissions in all of these areas and more, where the advancement of knowledge in inorganic chemistry is significant.