A new oxygen-rich and poly-nitrogen energetic complex: synthesis, properties of high energy materials and catalytic decomposition of ammonium perchlorate

Abstract

Preparing green materials with excellent performance based on coordination chemistry is a challenge. In the present work, a new energetic complex, [Co(Hatzc)₂(H₂O)₂] · 2H₂O (1) (H₂atzc = 3-carboxyl-5-amino-1,2,4-triazole), was synthesized by the diffusion method and characterized by X-ray single-crystal diffraction, elemental analysis, infrared spectral analysis, and thermogravimetric analysis. The structural analyses illustrate that 1 exhibits a 0-D motif, linked by hydrogen-bonding interactions to give a 3-D supramolecular architecture. 1 shows good thermal stability (T_dec =283 °C), low sensitivity (IS > 40J, FS > 360N), prominent detonation velocity (10.18 km s⁻¹), and detonation pressure (44.99 Gp). The heat of detonation of 1 (4.109 kcal g⁻¹) is higher than most classical energetic complexes as shown by density functional theory (DFT). In addition, 1 shows good catalytic activity toward AP (ammonium perchlorate) decomposition by thermodynamics and dynamic analysis, which indicates 1 is a potential energetic candidate in the solid propellant field.

Graphical Abstract

Keywords:

• Energetic complex
• heat of detonation
• density functional theory
• catalytic

Supplementary material

CCDC 1857086 contains the supplementary crystallographic data for this article. These data can be obtained free of charge at http://www.ccdc.ac.uk/conts/retrieving.html or from the Cambridge Crystallographic Data Center (CCDC), 12 Union Road, Cambridge CB21EZ, UK; Fax: [phone]; E-mail: [email protected]. The tables, DSC, and additional characterizations can be found in the Supplementary Material.

Disclosure Statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

Financial support from the National Natural Science Foundation of China (No. 21763022), the Major Innovation Projects for Building First-class Universities in China's Western Region (ZKZD2017003) as well as the National First-rate Discipline Construction Project of Ningxia (NXYLXK2017A04).