Cocrystallization of chelating-energetic-material and metal-organic-framework with the nitrogen-rich ligand bis(tetrazole)methane

Two recently introduced concepts in the design of high-energy-density materials (HEDMs), namely Metal–organic frameworks (MOFs) and Chelating energetic material (CEM), have been applied in the synthesis of the energetic manganese (II) compound {[Mn(btm)(H₂O)₃]₂·H₂O}_n (1) (H₂btm = bis(tetrazole)methane), cocrystalized by a dinuclear CEM and a 1D MOF, which is characterized by elemental analysis and FTIR spectroscopy. Single-crystal X-ray diffraction analysis revealed that 1 crystallizes in the monoclinic space group P_21/c. The Mn²⁺ was hexa-coordinated with two btm groups and three water molecules. Btm presents tridentate coordination modes. The thermal decomposition mechanism of 1 was studied by differential scanning calorimetry (DSC). The non-isothermal kinetics parameters were calculated by the Kissinger’s method and Ozawa-Doyle’s method, respectively. Sensitivity tests revealed that 1 is insensitive to mechanical stimuli.