Citation: Ying-Lei Wang, Feng-Qi Zhao, Yue-Ping Ji, Jian-Hua Yi, Ting An, Wei-Xiao Liu. Synthesis, crystal structure and thermal behavior of 4-amino-3,5-dinitropyrazole copper salt[J]. Chinese Chemical Letters, ;2014, 25(6): 902-906. doi: 10.1016/j.cclet.2014.01.011 shu

Synthesis, crystal structure and thermal behavior of 4-amino-3,5-dinitropyrazole copper salt

1.
Science and Technology on Combustion and Explosion Laboratory, Xi'an Modern Chemistry Research Institute, Xi'an 710065, China

Corresponding author: Feng-Qi Zhao,
Received Date: 1 December 2013
Available Online: 19 December 2013
Fund Project:

A novel energetic combustion catalyst, 4-amino-3,5-dinitropyrazole copper salt ([Cu(adnp)₂(H₂O)2]), was synthesized in a yield of 93.6% for the first time. The single crystal of [Cu(adnp)₂(H₂O)2] was determined by single crystal X-ray diffraction. It crystallizes in a triclinic system, space group P 1 with crystal parameters a=5.541(3)Å, b=7.926(4)Å, c=10.231(5)Å, b=101.372(8)°, V=398.3(3)Å³, Z=1, m=1.467 mm^-1, F(0 0 0)=243, and Dc=2.000 g cm^-3. The thermal behavior and non-isothermal decomposition reaction kinetics of [Cu(adnp)₂(H₂O)₂] were studied by means of different heating rate differential scanning calorimetry (DSC). The kinetic equation of major exothermic decomposition reaction for [Cu(adnp)₂(H₂O)₂] was obtained. The entropy of activation (ΔS^≠), enthalpy of activation (ΔH^≠), free energy of activation (ΔG^≠), the self-accelerating decomposition temperature (T_SADT) and the critical temperature of thermal explosion (T_b) are 59.42 J mol^-1 K^-1, 169.5 kJ mol^-1, 1141.26 kJ mol^-1, 457.3 K and 468.1 K, respectively.
- Physical chemistry,
- 4-Amino-3,5-dinitropyrazole copper salt,
- Energetic combustion catalyst,
- Crystal structure,
- Thermal behavior
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沈阳化工大学材料科学与工程学院沈阳 110142