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- W2390498840 abstract "5-Aminotetrazolium 1′-hydroxy-1H,1-H-5,5′-bitetrazol-1-olate(5-ATHTO)was synthesized using glyoxal,hydroxylamine,amino-guanidine carbonate as raw materials.The reaction conditions were optimized.The structure of 5-ATHTO was identified by NMR,IR and MS.Its thermal stability was analyzed by DSC.The detonation performances of 5-ATHTO were estimated by a density function theory(DFT)at B3LYP/6-31+G**level.The results show that under the optimized conditions of water as medium,reaction temperature 100℃ and reaction time 5h,the yield of 5-ATHTO is up to 86.2%.The compound decomposes at about 240℃,indicating that it has good thermal stability.The theoretical density of 5-ATHTO after optimizing predicted by Monte-Carlo method is 1.85g/cm3.The heat of formation of the compound obtained by Born-Haber cycle is 808.5kJ/mol.The heat of detonation,detonation pressure and detonation velocity of 5-ATHTO predicted by Kamlet-Jacobs formula are1 504.35J/g,32.6GPa and 8.25km/s,respectively and the 50% drop height of impact sensitivity is 52 cm,indicating that 5-ATHTO is an insensitive energetic compound with good detonation performance." @default.
- W2390498840 created "2016-06-24" @default.
- W2390498840 creator A5052863980 @default.
- W2390498840 date "2014-01-01" @default.
- W2390498840 modified "2023-09-25" @default.
- W2390498840 title "Synthesis and Property Prediction of 5-Aminotetrazolium1′-Hydroxy-1H,1-H-5,5′-Bitetrazol-1-Olate" @default.
- W2390498840 hasPublicationYear "2014" @default.
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