Synthesis, Molecular Structure and Non-isothermal Decomposition Kinetics of 3,6-guanidine- 1,2,4,5-t

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  l,2,4,5-tetrazine continues to attract the interest of chemists,mainly on account of the perspectives that they may offer excellent properties,such as high positive heat of formation,high density,good oxygen balance and high thermal stability Xi’an Modern Chemistry Research Institute,Xi’an,710065 P.R.China mahx@nwu.edu.cn [1-3] extensive etc.The properties make energetic organic compounds ly use in many fields,such as propellants,explosives,and pyrotechnics.The title compound 3,6-guanidine- 1,2,4,5-terazine perchlorate[DGTz·2(HClO4)] was prepared and the crystal structure has been determined by a X-ray diffractometer.The thermal behavior of the title compound was studied under a non-isothermal condition by DSC and TG/DTG techniques.The kinetic parameters were obtained from analysis of the TG curves by Kissinger method and Ozawa method.The value of Ea and A of the decomposition reaction of the title compound are 213.31 kJ·mol-1 and 1017.89 s-1,respectively.The values of ΔS ≠,ΔH ≠ and ΔG ≠of this reaction are 188.46 J·mol-1·K-1,112.12 kJ·mol-1 and 213.14 kJ·mol-1,respectively.The specific heat capacity of the title compound was determined with a continuous Cp mode of microcalorimeter.It was obtained by the analytical method of Micro-DSCIII which the relationship between the specific heat capacity of DGTz·2(HClO4) and the thermodynamic temperature was CP(J·g-1·K-1)= 0.1029+3.9458×10-3T.
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