| 二乙酸·二(4-氨基-1，2，4-三唑)合锌(Ⅱ)配合物的制备、晶体结构、比热容及热力学性质 | |
| Preparation, Crystal Structure, Specific Heat Capacity and Thermodynamic Properties of Diacetatobis(4-Amino-1,2,4-triazole) Zinc | |
| 摘要: 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(CH3COO)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=1.664 44(16) nm，c=1.090 40(11) nm，V=1.392 6(2) nm3，Dc=1.936 g·cm-3，Z=4，F(000)=720，R1=0.024 6，wR2=0.067 5。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：Cp/(J·g-1·K-1)=-2.021 915+1.749 228×10-2T-2.358 752×10-5T2，298.15 K时配合物的标准摩尔比热容为385.62 J·mol-1·K-1。 | |
| 关键词: 锌配合物 4-氨基-1，2，4-三唑 晶体结构 比热容 热力学性质 | |
| 基金项目: | |
| Abstract: The title complex has been synthesized with 4-amino-1,2,4-triazole ethanol solution and zinc acetate methanol solution. Single crystals suitable for X-ray measurement were obtained at room temperature. The crystal is rhombic system, space group Aba2 with crystal parameters of a=0.767 32(7) nm, b=1.664 44(16) nm, c=1.090 40(11) nm, V=1.392 6(2) nm3, Dc=1.936 g·cm-3, Z=4, F(000)=720, R1=0.024 6, wR2=0.067 5. The specific heat capacity of the complex was determined with continuous Cp mode of microcalorimeter (Micro-DscⅢ). In the determining temperature range from 283 K to 353 K, the special heat capacity of the complex presents good quadratic relationship with temperature, the relationship between the specific heat capacity of the complex and the thermodynamic temperature was Cp/(J·g-1·K-1)=-2.021 915+1.749 228×10-2T-2.358 752×10-5T2, the standard mole specific heat capacity of the complex was 385.62 J·mol-1·K-1 in 298.15 K. CCDC: 729090. | |
| Keywords: zinc(Ⅱ) complex 4-amino-1,2,4-triazole crystal structure specific heat capacity thermodynamic properties | |
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| 李 丹,任莹辉,赵凤起,仪建华,宋纪蓉,徐抗震.二乙酸·二(4-氨基-1，2，4-三唑)合锌(Ⅱ)配合物的制备、晶体结构、比热容及热力学性质[J].无机化学学报,2010,26(3):509-514. | |
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