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- W4280514001 endingPage "133337" @default.
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- W4280514001 abstract "N-fluorodinitromethyl-functionalized polynitro-triazole/pyrazole were synthesized and characterized by IR spectrum, elemental analysis, multinuclear NMR spectroscopy as well as differential scanning calorimetry. The crystal packing characteristic of honeycomb construction for 5a and inter/intramolecular interactions were thoroughly explored. Compound 5a melts at 74°C and decomposes at 167°C, while compound 5b melts at 47°C and decomposes at 209°C. Further structural analysis was not performed for 5b as its melt point indicates that it is not appropriate for melt-cast explosive. Both new compounds show zero oxygen balance, high density (1.88 g cm−3), negative heats of formation (-101.3 kJ mol−1 for 5a, -123.3 kJ mol−1 for 5b), acceptable sensitivities (IS > 10 J, FS > 168 N) and high detonation performances (vD > 8591 m s−1, P > 32.7 GPa). The resluts of physicochemical properties and detonation performance suggest that 5a could be used as an applicable melt-cast explosive and a replacer for TNT." @default.
- W4280514001 created "2022-05-22" @default.
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- W4280514001 date "2022-09-01" @default.
- W4280514001 modified "2023-10-14" @default.
- W4280514001 title "3D honeycomb construction of N-fluorodinitromethyl substituted polynitroazoles based on hydrogen-bonded staggered conformation: Toward high-density melt-cast explosive instead of TNT" @default.
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- W4280514001 doi "https://doi.org/10.1016/j.molstruc.2022.133337" @default.
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