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利用4-氨基-1,2,4-三唑(4-ATZ)的乙醇溶液与乙酸锌的甲醇溶液合成了标题化合物Zn(4-ATZ)_2(CH_3COO)_2,并培养出单晶,通过X射线单晶结构分析法测定晶体结构,晶体属于正交晶系,空间群为Aba2,晶胞参数为:a=0.767 32(7)nm,b=1.66444(16)nm,c=1.09040(11)nm,V=1.3926(2)nm~3,D_c=1.936 g·cm~(-3),Z=4,F(000)=720,R_1=0.0246,wR_2=0.0675。运用Micro-DSCⅢ微热仪测定配合物的比热容,在283～353 K时,比热容随温度呈二次方关系,其关系式为:C_p/(J·g~(-1)·K~(-1))=-2.021915+1.749228×10~(-2)T-2.358752×10~(-5)T~2,298.15 K时配合物的标准摩尔比热容为385.62 J·mol~(-1)·K~(-1)。
The title compound Zn (4-ATZ) _2 (CH_3COO) _2 was synthesized by using 4-amino-1,2,4-triazole (4-ATZ) in ethanol and zinc acetate in methanol. The crystal structure was determined by X-ray single crystal structure analysis. The crystal belongs to the orthorhombic system with space group Aba2. The unit cell parameters are a = 0.767 32 (7) nm, b = 1.66444 (16) nm, c = 1.09040 ) nm, V = 1.3926 (2) nm ~ 3, D_c = 1.936 g · cm -3, Z = 4, F (000) = 720, R_1 = 0.0246, wR_2 = 0.0675. The specific heat capacity of the complex was determined by Micro-DSC microthermal method. The specific heat capacity was quadratic with temperature at 283-353 K, and the relation was: C_p / (J · g -1 · K ~ (- 1) = 2.021915 + 1.749228 × 10 -2 T-2.358752 × 10 -5 T ~ 2,298.15 K, the standard molar heat capacity of the complex was 385.62 J · mol -1 · K ~ (-1) -1).