摘要
用X射线衍射法确定了四苯基卟啉锌(Ⅱ)水合物ZnC44H28N4(H2O)的晶体结构。晶体属于单斜晶系,C2空间群,a=18903(4),b=9.672(2),c=13.379(3)A,β=134.92(3)°,V=1732(1)A3,Z=2,Dx=1.335g/cm3,Mr=696.13,μ(MoKa)=0.764mm-1,F(000)=720。最终偏离因子R=0.055,Rw=0.050(1076、个I≥3σ(I)衍射点)。配合物分子中Zn(Ⅱ)离子落入卟啉空腔内与4个吡咯氮原子共平面,在垂直该平面上与H对H2O分子呈轴向配位,其分子结构呈四方锥型。用电子吸收光谱和1HNMR波港以及循环伏安法对其性质进行表征,并对其轴向配位反应的热力学性质进行研究。
The crystal structure of the title compound, ZnTPP (H2O), was determined by X-raydiffraction data at room temperature. The crystal belongs to the monoclinic system with spacegroup C2, a= l8. 903(4), b=9. 672(2), c= l3. 379(3) A' β134. 92(3)° V=l732(1) A3Z= 2, Dx= 1. 335g/cm3, M.= 696. 13, μ(MoKa) = 7. 64 mm-1, F(000) = 720. Refined to R=0. 055 and Rw=0. 050 for 1076 observed reflections. The zinc ion is accomodated in the planeof the four Porphine nitrogen atoms. The water molecule is bound to the zinc. It has been char-acterized by elemental analyses, electronic absorption spectrum, lH NMR spectrum and cyclicvoltammetry. The thermodynamic properties of axial coordination reaction of ZnTPP have alsobeen investigated.
基金
国家自然科学基金
天津市自然科学基金
关键词
四苯基卟啉锌
晶体结构
电化学性质
热力学性质
tetraphenylporphyrinatozinc,crystal structure,electrochemical property,thermodynamic property