Synthesis and properties of three guanidinium salts based on high-oxygen-balanced 1,4-dinitramino-3,5-dinitropyrazolate anion
| Autor: | Haifeng Huang, Guanglei Li, Wei Li, Jun Yang, Hongzhen Duan, Chao Yan |
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| Rok vydání: | 2021 |
| Předmět: |
Diffraction
010405 organic chemistry Chemistry Thermal decomposition Detonation Infrared spectroscopy 010402 general chemistry 01 natural sciences Standard enthalpy of formation 0104 chemical sciences Ion Inorganic Chemistry Elemental analysis Materials Chemistry Physical chemistry Physical and Theoretical Chemistry Single crystal |
| Zdroj: | Polyhedron. 199:115098 |
| ISSN: | 0277-5387 |
| Popis: | Three guanidinium salts based on high-oxygen-balanced 1,4-dinitramino-3,5-dinitropyrazolate anion were synthesized. And the structures of these salts were characterized by NMR (1H and 13C), IR spectroscopy, and elemental analysis, and single crystal X-ray diffraction. Furthermore, their thermal stabilities were analyzed by differential scanning calorimetric measurements (DSC). Their enthalpies of formation were calculated based on isomesdic reaction by using Gaussian 09 program to be between 193.4 and 613.2 kJ mol−1. The results show that the densities of salts 8–10 are between 1.572 and 1.693 g·cm−3, and their thermal decomposition temperatures are between 93.4 and 175.7 ℃. Their detonation velocities and detonation pressures are calculated according to Kamlet-Jacobs detonation equations to be between 7638 and 8227 m s−1 and 23.8–28.8 GPa, respectively. Salts 9 and 10 have better detonation performance and high sensitivity, and can be used as primary explosives. |
| Databáze: | OpenAIRE |
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