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Abstract  

A novel complex [Ni(H2O)4(TO)2](NO3)2·2H2O (TO = 1,2,4-triazole-5-one) was synthesized and structurally characterized by X-ray crystal diffraction analysis. The decomposition reaction kinetic of the complex was studied using TG-DTG. A multiple heating rate method was utilized to determine the apparent activation energy (E a) and pre-exponential constant (A) of the former two decomposition stages, and the values are 109.2 kJ mol−1, 1013.80 s−1; 108.0 kJ mol−1, 1023.23 s−1, respectively. The critical temperature of thermal explosion, the entropy of activation (ΔS ), enthalpy of activation (ΔH ) and the free energy of activation (ΔG ) of the initial two decomposition stages of the complex were also calculated. The standard enthalpy of formation of the new complex was determined as being −1464.55 ± 1.70 kJ mol−1 by a rotating-bomb calorimeter.

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Abstract  

A new complex, diaquadi(1,2,4-triazol-5-one)zinc(II) ion nitrate formulated as {[Zn(TO)2(H2O)2](NO3)2}n (1) (1,2,4-triazole-5-one, abbreviated as: TO) was synthesized and characterized by elemental analysis, X-ray single crystal diffraction, infrared spectrum (IR), differential scanning calorimetry (DSC), thermogravimetric analysis and differential thermogravimetric analysis (TG-DTG). The X-ray structure analysis reveals that the complex is orthorhombic with space group Pbca and unit-cell parameters a=6.9504(2) �; b=10.6473(3) �; c=17.8555(5) �. Based on the result of thermal analysis, the thermal decomposition process of the compound was derived. From measurement of the enthalpy of solution in water in 298.15 K, the standard molar enthalpy of solution of lignand TO and the complex were determined as 15.43�0.18 and 52.64�0.42 kJ mol−1, respectively. In addition, the standard molar enthalpy of formation of TO(aq) was calculated as −126.97�0.72 kJ mol−1.

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O) 4 (TO) 2 ](NO 3 ) 2 ·2H 2 O (TO=1,2,4-triazole-5-one) . J Therm Anal Calorim . 2010 ; 100 : 1115 – 1120 . 10.1007/s10973-009-0400-1 . 6. Hosseini , MW . Molecular tectonics

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. Chen , S-P , Li , N , Wei , Q , Gao , S-L 2010 Synthesis, structure analysis and thermodynamics of [Ni(H 2 O4(TO) 2 ](NO 3 ) 2 ·2H 2 O (TO = 1,2,4-triazole-5-one) . J Therm Anal Calorim 100 : 1115 – 1120 10.1007/s10973

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