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化学学报
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化学学报 ›› 1995, Vol. 53 ›› Issue (1): 50-56. 上一篇    下一篇

研究论文

三水和硝酸N,N,N"'-四[(1'-苄基-2'-苯并咪唑)甲基]-1,2- 环已二胺合Zn(Ⅱ)的晶体结构和非等温热分解反应动力学

李晓燕;孙宏建;杨兆荷   

  1. 山东大学化学系;山东大学晶体材料研究所
  • 发布日期:1995-01-15

Crytal structure and non-isothermal kineties of thermal decomposition of N,N,N',N'-tetrakis[(1'-benzyl-2'-benzimidazolyl)methyl] -1,2-cyclohexanediamine zinc(Ⅱ)nitrate trihydrate

LI XIAOYAN;SUN HONGJIAN;YANG ZHAOHE   

  • Published:1995-01-15

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本文报道标题Zn(Ⅱ)配合物:[Zn(NBOCTB)](NO~3)~2.3H~2O的制备,晶体结构及热分解动力学,该晶体属三斜晶系,空间群PI,a=1.4146(2),B=1.5407(3),c=1.8518(4)nm;α=62.09(2).β=72.46(2),68.60(1)°. 并对配合物第一和第二步热分解反应进行了非等温动力学研究.运用Achar法与Coats-Redfern 法对非等温动力学数据进行分析,推断第一步脱水过程为成核生长机理,其动力学方程为d α/dt=Ae^-^E^/^R^T.3/2(1-α).[-ln(1-α) ] ^1^/^3; 动力学补偿效应表达式lnA= 0.3739E- 3. 321. 第二步分解过程为二级化学反应, 其动力学方程为:dα/dt=Ae^E^/^r^t(1-α)^2;动力学补偿效应表达式为lnA=0.2100E-3.690.

关键词: 晶体结构测定, 反应机理, 反应动力学, 锌络合物, Ｘ射线衍射分析, 硝酸盐, 苯并咪唑, 热分解, 环己二胺

Synthesis and crystal structure of titled Zn(II) coordination compound, [Zn(NBOCTB)](NO3)2.3H2O are reported. The complex belongs to triclinic system, space group P1 with a = 1.4146(2), b = 1.5407(3), c = 1.8518(4) nm; a = 62.09(2), b = 72.46(2), g = 68.60(1)? V = 3.2783(9)nm3, Mr = 1238.68, Z = 2, Dx = 1.25 g/cm3, m = 4.43 cm-1, F(000) = 1288. Non-isothermal kinetics of thermal decomposition of the complex was also studied with Achar method and Coats-Redfern method by TG and DTG techniques. The kinetic equation for the first step can be expressed as: da/dt = Ae-E/RT. (3/2).(1-a).[-ln(1-a)]1/3, the mechanism is "Coring and Growth" (n = 1.5): while for the second step, da/dt = Ae-E/RT.(1-a)2, corresponding to the mechanism of the second-order chem. reaction. The math. expressions of the kinetic compensation effect for the two steps are found to be: lnA = 0.3739E-3.321, and InA = 0.2100E-3.690, resp.

Key words: CRYSTAL STRUCTURE DETERMINATION, REACTION MECHANISM, REACTION KINETICS, ZINC COMPLEX, X-RAY DIFFRACTION ANALYSIS, NITRATE, BENZIMIDAZOLE, THERMAL DECOMPOSITION

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