Cocrystallization of energetic Mn(II) complex with nitrogen-rich ligand SCZ and oxygen-rich ligand TNR

Abstract

Based on the advantages of energetic complexes and cocrystallization, a novel energetic complex cocrystal [Mn(SCZ)₃](TNR) (H₂O) · [Mn(SCZ)₂(H₂O)(TNR)](H₂O) (SCZ: semicarbazide, TNR: 2,4,6-trinitroresorcinol) was synthesized through a one-step reaction. This cocrystal contains equal units of [Mn(SCZ)₂(H₂O)(TNR)](H₂O) and [Mn(SCZ)₃]TNR(H₂O). The molecules of the two units arrange mutually crosswise in the cocrystal and the benzene rings of TNR can form one-dimensional self-assemblies through π-π stacking. The thermal decomposition of the cocrystal is complicated with one endothermic process and three exothermic processes in the DSC curve. The complex [Mn(SCZ)₂(H₂O)(TNR)] · 3(H₂O) was synthesized and the temperature of the major exothermic peak of the cocrystal is higher than observed for this complex.

Graphical Abstract

Keywords:

• Cocrystal
• energetic complex
• crystal structure

Acknowledgements

We acknowledge financial support from the National Natural Science Foundation of China (No. 11672040) and the State Key Laboratory of Explosion Science and Technology (No. YB2016-17).