[Ni(PMBPTSC)(H2PMBPTSC)]·C2H5OH·2H2O的合成、 结构和非等温热分解动力 学

报道了标题配合物[Ni(PMBPTSC)(H2PMBPTSC)]·C2H5OH·2H2O的制备，晶体结构及非等温热分解动力学，该晶体属单斜晶系，空间群Pn,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.根据TG-DTG曲线，运用Achar法与Coats-Redfer法对配合物第一步热分解反应进行了非等温热分解动力学研究，其机理为三维扩散机理，动力学方程为da/dt=Ae^-E/RT3/2(1-α)^2/3[1-(1-α)^1/3]^-1,动力学补偿效应表达式为lnA=0.307915E-1.20469.

Synthesis, Structure and Non-isothermal Kinetics of Thermal Decomposition of [Ni(PMBPTSC) ( H2PMBPTSC ) ]@ C2H5OH@ 2H2O

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.