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

Abstract

Abstract:A novel energetic salt of Bis(semicarbazide) 5,5 1 -bitetrazole-1,1 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, 13 C 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 P2 1 /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.

A New Energetic Salt Semicarbazide 5-Dinitromethyltetrazolate: A Promising Explosive Alternative

“…For the DNMZ anion, the NÀC bond lengths are 1.332 for N4ÀC1 and 1.333 for N1ÀC1, located in the range of the normal N=C bond length (1.22 ) and the NÀC bond length (1.47 ). The NÀN bond lengths have a minimum of 1.291 for N2ÀN3 and a maximum of 1.353 for N3ÀN4, whose average value 1.326 is considerably longer than the N=N double bond of 1.20 , and shorter than the NÀN bond 1.407 [28][29][30]. The bond angles range from 106.628 for C1ÀN4ÀN3 to 109.978 for N2ÀN3ÀN4 with an average value of 107.998.…”

Two Energetic Salts based on 5,5′-Bitetrazole-1,1′-diolate: Syntheses, Characterization, and Properties

“…1H,1′H‐5,5′‐Bitetrazole‐1,1′‐diolate (BTO), composed of bi‐tetrazole rings and two hydroxyl groups, which were connected by N–O bonds with each other, is such an attractive structure that derivatives of it had been proved to present high performance . The acidity of the hydroxyls made it easy to form organic anion, thus attracted great interest for syntheses of energetic salts . In this paper, two novel energetic salts based on BTO anion with pyrazole ( 1 ) and imidazole ( 2 ) cations were synthesized and fully characterized.…”

The novel compound dimethylamine-5,5′-bistetrazole-1,1′-diolate: crystal structure, thermal investigation, safety evaluation and theoretical studies

“…Among them, one of the most promising HEDMs is considered to be the nitrogen-rich heterocyclic tetrazole derivatives [12][13][14][15] due to their high content of nitrogen and low carbon and hydrogen contents as well as high positive enthalpy of formation. In particular, 5,5 0 -bistetrazole-1,1 0 -diolate derivatives (Scheme 1) became one booming topic [16][17][18][19] in the area of propellants, explosives and pyrotechnics as soon as dihydroxylammonium 5,5 0 -bistetrazole-1,1 0 -diolate (TKX-50) was reported by Niko Fischer To help analyze the product purity and component analysis, it is very important to understand the stability and reactivity of BTO in DMF and water media. Surprisingly, one new BTO derivative dimethylamine 5,5 0 -bistetrazole-1,1 0 -diolate (DMA-BTO) was easily achieved by the reaction of BTO with solvent DMF and water at room temperature.…”