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Synthesis and properties of salts derived from C4N182−, C4N18H3− and C4N18H3− anions
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2020-11-13 , DOI: 10.1039/d0ta08153a Zhen Dong 1, 2, 3, 4 , Zhiwen Ye 1, 2, 3, 4
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2020-11-13 , DOI: 10.1039/d0ta08153a Zhen Dong 1, 2, 3, 4 , Zhiwen Ye 1, 2, 3, 4
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This study, demonstrates that four tetrazole (CN4) moieties can coexist by the formation of the [–N![[double bond, length as m-dash]](https://www.rsc.org/images/entities/char_e001.gif)
N–] linkages to give a C4N182− anion, which possesses a high N content (84.0%). The C4N182− moiety can be reduced to a C4N18H3− anion by reaction with hydrazine. Furthermore, the addition of HCl results in a new compound (7) which can generate a C4N18H3− salt. The physico-chemical properties of the neutral compounds and their salts were investigated. These compounds were characterized and confirmed by single crystal X-ray diffraction; the structural differences among C4N182−, C4N18H3− and C4N18H3− were studied. Theoretical analysis and experiments showed that these new compounds exhibit high thermal stability (Td: 165–202 °C) and high detonation velocity (D: 8750–9332 m s−1), which are comparable with those of 1,3,5-trinitroperhydro-1,3,5-triazine (RDX). The structure–property relationship was studied through careful investigation of the noncovalent interactions. The high energetic performance and short preparation steps endow these high-energy-density materials with great potential for practical applications.
中文翻译：
衍生自C4N182-，C4N18H3-和C4N18H3-阴离子的盐的合成和性质
这项研究表明，通过形成[–N N–]键，可以共存四个四唑（CN 4）部分，从而得到具有高N含量（84.0％）的C 4 N 18 2-阴离子。通过与肼反应，可以将C 4 N 18 2-还原为C 4 N 18 H 3-阴离子。此外，在一个新的化合物（加入HCl结果7），它可以产生一个C 4 Ñ 18 ħ 3 -盐。研究了中性化合物及其盐的理化性质。通过单晶X射线衍射对这些化合物进行表征和确认。Ç之间的结构差异4 Ñ 18 2-，C 4 Ñ 18 ħ 3-和C 4 Ñ 18 ħ 3 -进行了研究。理论分析和实验表明，这些新化合物具有较高的热稳定性（T d：165–202°C）和较高的爆震速度（D：8750–9332 ms -1），与1,3,5-相当。三硝基过氢-1,3,5-三嗪（RDX）。通过仔细研究非共价相互作用研究了结构-性质关系。高能量性能和短准备步骤使这些高能量密度材料在实际应用中具有巨大潜力。
更新日期：2020-11-25
N–] linkages to give a C4N182− anion, which possesses a high N content (84.0%). The C4N182− moiety can be reduced to a C4N18H3− anion by reaction with hydrazine. Furthermore, the addition of HCl results in a new compound (7) which can generate a C4N18H3− salt. The physico-chemical properties of the neutral compounds and their salts were investigated. These compounds were characterized and confirmed by single crystal X-ray diffraction; the structural differences among C4N182−, C4N18H3− and C4N18H3− were studied. Theoretical analysis and experiments showed that these new compounds exhibit high thermal stability (Td: 165–202 °C) and high detonation velocity (D: 8750–9332 m s−1), which are comparable with those of 1,3,5-trinitroperhydro-1,3,5-triazine (RDX). The structure–property relationship was studied through careful investigation of the noncovalent interactions. The high energetic performance and short preparation steps endow these high-energy-density materials with great potential for practical applications.
中文翻译：
衍生自C4N182-，C4N18H3-和C4N18H3-阴离子的盐的合成和性质
这项研究表明，通过形成[–N N–]键，可以共存四个四唑（CN 4）部分，从而得到具有高N含量（84.0％）
的C 4 N 18 2-阴离子。通过与肼反应，可以将C 4 N 18 2-还原为C 4 N 18 H 3-阴离子。此外，在一个新的化合物（加入HCl结果7），它可以产生一个C 4 Ñ 18 ħ 3 -盐。研究了中性化合物及其盐的理化性质。通过单晶X射线衍射对这些化合物进行表征和确认。Ç之间的结构差异4 Ñ 18 2-，C 4 Ñ 18 ħ 3-和C 4 Ñ 18 ħ 3 -进行了研究。理论分析和实验表明，这些新化合物具有较高的热稳定性（T d：165–202°C）和较高的爆震速度（D：8750–9332 ms -1），与1,3,5-相当。三硝基过氢-1,3,5-三嗪（RDX）。通过仔细研究非共价相互作用研究了结构-性质关系。高能量性能和短准备步骤使这些高能量密度材料在实际应用中具有巨大潜力。
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