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Original Research ARTICLE Provisionally accepted The full-text will be published soon. Notify me

Front. Chem. | doi: 10.3389/fchem.2019.00672

Novel energetic coordination polymers based on 1,5- di(nitramino)tetrazole with high oxygen content and outstanding properties: syntheses, crystal structures, and detonation properties

 Yanan Li1*, Tao Yu1, 2, Yiying Zhang1, Jianjian Hu1,  Tao Chen1, Yinglei Wang1 and Kangzhen Xu3
  • 1Xi’an Modern Chemistry Research Institute, China
  • 2School of Chemistry and Chemical Engineering, Southeast University, China
  • 3School of Chemical Engineering, Northwest University, China

In this study, a series of novel 1,5-di(nitramino)tetrazole (DNAT)–based bimetallic energetic coordination polymers, MK2(DNAT)2·4H2O [M = Fe, Cu, Ni, Co, and Zn], were designed and synthesized in a simple and convenient self-assembly synthetic process. The obtained compounds were fully characterized by IR spectroscopy, multinuclear NMR spectroscopy, elemental analysis, and differential scanning calorimetry (DSC). Additionally, the structures of target compounds were confirmed by single-crystal X-ray diffraction. Based on the room-temperature X-ray densities (2.095 – 2.138 g cm-3) and the calculated (CBS–QB3) heats of formation (-41.3 – 170.5 kJ mol-1), the detonation properties such as detonation velocities (8147.0 – 8478.4 m s-1) and detonation pressures (29.7 – 32.8 GPa) were computed using the EXPLO5 v6.04 program. Their excellent energetic properties indicated that they could serve as promising “green” primary explosives for replacement of lead azide (LA).

Keywords: Primary explosive, bimetallic energetic coordination, Synthesis, crystal structure, property

Received: 31 Jul 2019; Accepted: 25 Sep 2019.

Copyright: © 2019 Li, Yu, Zhang, Hu, Chen, Wang and Xu. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

* Correspondence: Mx. Yanan Li, Xi’an Modern Chemistry Research Institute, Xi’an, China,