关键词: 非等温热分解动力学, 晶体结构, 镍络合物, β-双酮类, 吡唑啉P, 吡唑酮P, 热动力学, 分子结构, 热分解

Preparation, crystal structure and non-isothermal kinetics of thermal decomposition ofthe title Ni(Ⅱ) complex [Ni(PMBPTSC) (H2PMBPTSC)]·C2H5OH·2H2O [H2PMBPTSC=(1-phenyl-3-methyl-4-benzoyl-5- pyrazolone) thiosemicarbazone] are reported. The complex belongs to monoclinic system, space group Pn, with cell parameters a=1.0376(3) nm, b=1.1522(3) nm, c=1.7591(3) nm; β =90.75(2)°; V=2.1028(8)nm^3; Z=2, Dc=1.329g/cm^3; μ=0.614mm^-1; F(000)=880. The kinetics of the first step thermal decomposition was studied under non-isothermal condition from TG-DTG curves by means of Achar and Coats-Redfer methods. The results show that this reaction is three- dimensional diffusion controlled, the kinetic equation is expressed by da/dt=Ae^- E/RT 3/2(1-α)^2/3 [1-(1-α)^1/3]^-1 and the kinetic compensation effect expression is lnA=0.307915E-1.20469.

Key words: CRYSTAL STRUCTURE, NICKEL COMPLEX, β-DIKETONES, PYRAZOLINE P, PYRAZOLONE P, THERMODYNAMICS, MOLECULAR STRUCTURE, THERMAL DECOMPOSITION