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• W2002912071 abstract "An energetic complex, [Cd2(μ-Cl)4Cl2(DATr)2]n (1) (DATr = 3,4-diamino-1,2,4-triazole), was synthesized from DATr·HCl and cadmium(II) chloride. The product was characterized by Fourier transform infrared spectroscopy analysis, elemental analysis, X-ray diffraction analysis, and differential scanning calorimeter (DSC) analysis. The central cadmium(II) ions in 1 are six-coordinate twisted octahedral structures, which are made up of 1D chains linked by bridging chlorides. The results of the DSC analysis suggest the temperature of decomposition to be above 503.15 K. Furthermore, the kinetic properties of decomposition are studied by Kissinger’s and Ozawa–Doyle’s methods, and the calculated average activation is 166.5 kJ M−1, which means the complex is stable under normal conditions. In addition, the energy of combustion was measured by oxygen bomb calorimetry. The critical temperature of thermal explosion and parameters of thermodynamics of 1 were calculated. The periodic structure of 1 has been calculated based on the density functional theory. The theoretical results explain the electronic structure and thermal dynamic properties." @default.
• W2002912071 created "2016-06-24" @default.
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• W2002912071 date "2015-04-09" @default.
• W2002912071 modified "2023-10-16" @default.
• W2002912071 title "A 1D cadmium complex with 3,4-diamino-1,2,4-triazole as ligand: synthesis, molecular structure, characterization, and theoretical studies" @default.
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• W2002912071 doi "https://doi.org/10.1080/00958972.2015.1029465" @default.
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