Crystal structures, thermodynamics and accelerating thermal decomposition of RDX: two new energetic coordination polymers based on a Y-shaped ligand of tris(5-aminotetrazole)triazine

2019 ◽  
Vol 43 (36) ◽  
pp. 14336-14342 ◽  
Author(s):  
Shuo Wu ◽  
Guowei Lin ◽  
Zhengyi Yang ◽  
Qi Yang ◽  
Qing Wei ◽  
...  
Keyword(s):  
Thermal Decomposition ◽  
Crystal Structures ◽  
Coordination Polymers ◽  
Detonation Velocity ◽  
Hydrothermal Condition ◽  
Detonation Pressure

Two new energetic coordination polymers were prepared under hydrothermal condition. They have good detonation velocity, detonation pressure and effective acceleration effect toward the thermal decomposition of RDX (1,3,5-trinitro-1,3,5-triazinane).

Two Different Barium(II) 2D Coordination Polymers Constructed with Pyrazine-2,3-Dicarboxylate: Synthesis, Crystal Structures, and Thermal Decomposition to Barium(II) Carbonate Nanoparticles

2016 ◽  
Vol 69 (11) ◽  
pp. 1261 ◽  
Author(s):  
Masoumeh Tabatabaee ◽  
Boris-Marko Kukovec ◽  
Saeed Amjad ◽  
Masoud R. Shishebor
Keyword(s):  
Thermal Decomposition ◽  
Dicarboxylic Acid ◽  
Crystal Structures ◽  
Coordination Polymers ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Experimental Conditions ◽  
X Ray ◽  
Chloride Dihydrate ◽  
Coordinated Water

Two novel barium(ii) 2D coordination polymers, {[Ba(µ-H2O)(H2O)2(µ-pyzdc)]}n (1) and {[Ba(H2O)2(µ-Hpyzdc)(Hpyzdc)]⋅2H2O}n (2) (pyzdcH2 = pyrazine-2,3-dicarboxylic acid), were prepared by reaction of barium(ii) chloride dihydrate and pyrazine-2,3-dicarboxylic acid under similar experimental conditions (slightly different pH values) and characterised by elemental analysis, IR spectroscopy, and thermogravimetric analysis/differential thermal analysis methods. Their crystal structures were determined by single-crystal X-ray structure analysis and it was revealed that the barium(ii) ion has a distorted bicapped square antiprismatic coordination geometry in 1 and a distorted tricapped trigonal prismatic geometry in 2, composed of water molecules, carboxylate O, and pyrazine N atoms in both cases. The polymers 1 and 2 have different connectivity, as the pyrazine-2,3-dicarboxylate ion acts as multidentate bridging ligand in both 1 and 2, but also as an N,O′-bidentate terminal ligand in 2. There are terminal coordinated water molecules in both 1 and 2, but bridging water molecules are present only in 1 and water molecules of crystallisation only in 2. BaCO3 nanoparticles were formed by thermal decomposition of 1 in the presence of polyethylene glycol, and their structure and morphology were studied by powder X-ray diffraction and scanning electron microscopy. According to the powder X-ray diffraction pattern, BaCO3 was formed with an orthorhombic witherite structure.

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