Abstract
A reticular 3D energetic metal-organic framework, sodium 1,1′-dinitramino-5,5′-bistetrazolate was first synthesized and fully characterized by crystal X-ray diffraction, elemental analysis, mass spectrometry, IR spectroscopy, differential scanning calorimetry (DSC) and sensitivity test. It shows a density of 1.892g·cm−3, a positive oxygen balance and a high decomposition temperature of 250°C. The promising energetic properties were also investigated by using theoretical calculation methods. Its calculated heat of formation (529.5kJ·mol−1) combined with impressive heat of detonation (5080kJ·kg−1), good thermal stabilities and clean detonation products make it a competitive replacement as a green energetic material.
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