Sodium 1,1′-dinitramino-5,5′-bistetrazolate: A 3D metal-organic framework as green energetic material with good performance and thermo stability.

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 1.892 g·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 (529.5 kJ·mol −1 ) combined with impressive heat of detonation (5080 kJ·kg −1 ), good thermal stabilities and clean detonation products make it a competitive replacement as a green energetic material. [ABSTRACT FROM AUTHOR]