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Crystals 2016, 6(2), 21; doi:10.3390/cryst6020021

Preparation, Crystal and Properties of Nitrogen-Rich Energetic Salt of Bis(semicarbazide) 5,5′-Bitetrazole-1,1′-diolate

State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China
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Received: 26 December 2015 / Accepted: 3 February 2016 / Published: 6 February 2016
(This article belongs to the Special Issue Nitrogen-Rich Salts)
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Abstract

A novel energetic salt of Bis(semicarbazide) 5,5′-bitetrazole-1,1′-diolate [2(SCZ)·BTO] was synthesized by using semicarbazide hydrochloride and 1H,1’H-5,5’-bitetrazole-1,1’-diol (BTO) as raw materials, and its structure was characterized by elemental analysis, Fourier Transform infrared spectroscopy (FT-IR) spectroscopy, 13C NMR spectrum and mass spectrum. The single crystal of the title salt was obtained and its structure was determined by an X-ray single-crystal diffractometer. Results show that 2(SCZ)·BTO belongs to the monoclinic space group P21/c with a density of 1.685 g·cm−3. The thermal decomposition behavior was investigated by differential scanning calorimetry (DSC) and thermogravimetry-derivative thermogravimetry (TG-DTG) analyses, and non-isothermal kinetic parameters were also calculated. The results indicated that it has a good thermal stability with a decomposition temperature above 200 °C. The apparent activation energies were 231.2 kJ·mol−1 (Kissinger's method) and 228.1 kJ·mol−1 (Ozawa-Doyle's method), respectively, and the critical temperature of thermal explosion is 240.6 °C. The enthalpy of formation for the salt was calculated as 158.1 kJ·mol−1. The detonation pressure (P) and detonation velocities (D) of the salt were determined by using the Kamlet-Jacobs equation. The results indicated that the title salt has potential applications in the field of energetic materials. View Full-Text
Keywords: 1H,1’H-5,5’-bitetrazole-1,1′-diol; energetic salt; preparation; crystal structure; detonation properties 1H,1’H-5,5’-bitetrazole-1,1′-diol; energetic salt; preparation; crystal structure; detonation properties
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Zhang, Z.-B.; Yin, L.; Yin, X.; Zhang, J.-G. Preparation, Crystal and Properties of Nitrogen-Rich Energetic Salt of Bis(semicarbazide) 5,5′-Bitetrazole-1,1′-diolate. Crystals 2016, 6, 21.

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