配合物Nd(C7H7N2O2)3(H2O)3的合成及其晶体结构

用水热法合成了3,5-二氨基苯甲酸与Nd(Ⅲ)的配合物Nd(C7H7N2O2)3(H2O)3(1),其结构经IR,元素分析和X-射线单晶衍射仪表征。1为单核结构,属六方晶系,R3空间群,晶胞参数:a=1.887 29(18)nm,b=1.887 29(18)nm,c=0.603 53(12)nm,β=90,°γ=120°,V=1.861 7(4)nm3,Z=3,μ=2.154 mm-1,Dc=1.744 g.cm-3,R1=0.014 3,wR2=0.033 2。1中Nd(Ⅲ)与来自3个3,5-二氨基苯甲酸的6个氧原子及3个配位水的氧原子进行配位,形成9配位化合物。     

Molecular Structure and Properties of a Novel Acylhydrazone (C14H14O6N4)·HCON(CH3)2·2H2O

[N-(Propionic acid)] terephthalal acyl dihydrazone(H₄L) was synthesized and characterized by element analysis, IR, ¹H NMR and MS. The theoretical studies on H₄L were carried out at HF/6-31+G(d) and B3LYP/ 6-31+G(d) levels. The main decomposition stage of it was studied with IR track. The kinetic parameters[the apparent activation energy(E_a) and pre-exponential constant(A) of the first and second stages of decomposition reaction] were obtained by Kissinger and Ozawa’s methods. Furthermore, the antimicrobial activity of H₄L against wheat rust was investigated by spore sprout method.