4.1 Article

Synthesis and Characteristics of Bis(2, 2-dinitroethyl-N-nitro)ethylenediamine-Based Energetic Salts

期刊

出版社

WILEY-V C H VERLAG GMBH
DOI: 10.1002/zaac.201200080

关键词

Ab initio calculations; Density functional calculations; Bis(2; 2-dinitroethyl-N-nitro)ethylenediamine; Energetic salts

资金

  1. Specialized Research Fund for the Doctoral Program of Higher Education [20091101110033]
  2. National Defense 973 Program [3100021210901]
  3. National Natural Science Foundation of China [21172020]

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New energetic bis(2, 2-dinitroethyl-N-nitro)ethylenediamine-based salts exhibiting moderate physical properties, good detonation properties, and relatively low impact sensitivities were synthesized in high yield by direct reactions of bis(2, 2-dinitroethyl-N-nitro)ethylenediamine with organic bases. The resulting salts were fully characterized by multinuclear NMR spectroscopy (1H and 13C), vibrational spectroscopy (IR), differential scanning calorimetry (DSC), and elemental analysis. Solid-state 15N NMR spectroscopy was used as an effective technique to further determine the structure of some products. Thermal decomposition kinetics and several thermodynamic parameters of some salts were obtained under non-isothermal conditions by DSC. The densities of the energetic salts paired with organic cations were in the range 1.601.89 g center dot cm3 as measured with a gas pycnometer. Based on the measured densities and calculated heats of formation, detonation pressures and velocities were calculated using Explo 5.05 and found to be 23.644.8 GPa and 77909583 m center dot s1, respectively, which make them potentially useful as energetic materials.

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