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

来源 :Chinese Chemical Letters | 被引量 : 0次 | 上传用户:liuhu1314518
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A novel energetic combustion catalyst,4-amino-3,5-dinitropyrazole copper salt([Cu(adnp)2(H_2O)_2]),was synthesized in a yield of 93.6%for the first time.The single crystal of[Cu(adnp)2(H_2O)_2]was determined by single crystal X-ray diffraction.It crystallizes in a triclinic system,space group P“’ with crystal parameters a = 5.541(3) A,b = 7.926(4) A,c= 10.231(5) A,β = 101.372(8),V= 398.3(3) A~3,Z= 1,μ = 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(H_2O)_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(H_20O_2]was obtained.The entropy of activation(AS*),enthalpy of activation(△H~≠),free energy of activation(AG~≠),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. A novel energetic combustion catalyst, 4-amino-3,5-dinitropyrazole copper salt ([Cu (adnp) 2 (H_2O) _2]) was synthesized in a yield of 93.6% for the first time. (adnp) 2 (H_2O) _2] was determined by single crystal X-ray diffraction. It crystallizes in a triclinic system, space group P ”’with crystal parameters a = 5.541 (3) A, b = , C = 10.231 (5) A, β = 101.372 (8), V = 398.3 (3) A ~ 3, Z = 1, μ = 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 (H_2O) _2] were studied by means of different heating rate differential scanning calorimetry (DSC). Kinetic equation of major exothermic decomposition reaction for [Cu (adnp) _2 (H_20O_2] was obtained. The entropy of activation (AS *), enthalpy of activation (ΔH ~ ≠) (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.
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