钕-2,4,6–三(2–氮苯)–1,3,5–三嗪配合物的合成及结构表征【毕业设计】.doc

- PAGE I - （20 届） 本科毕业设计 钕-2,4,6–三(2–吡啶)–1,3,5–三嗪配合物的合成及结构表征 Synthesis，structure and properties of Nd—2,4,6-tri(pyridin-2-yl)-1,3,5-triazine complexes 所在学院 专业班级 应用化学 学生姓名 学号 指导教师 职称 完成日期 年 月 钕-2,4,6–三(2–吡啶)–1,3,5–三嗪配合物的合成及结构表征 PAGE II PAGE 19 摘　要 【摘要】本文以稀土离子、4，5-咪唑二羧酸和2,4,6–三(2–吡啶)–1,3,5–三嗪（TPTZ）在170℃环境下采用水热法得到了配位聚合物[Nd(C18H12N6)(NO3) 3(H2O)]?2H2O。利用X-射线单晶衍射对配合物进行结构分析，晶体结构解析结果表明，目标配合物属三斜晶系，P-1空间群，晶胞参数为a=9.5799(5)?, b=11.9688(7) ?, c=12.5711(6) ?, α = 115.376(5)，β=102.611(5) ?,γ = 94.659（5），V=1245.7(1) ?3, Z=2, R1=0.0344, wR=0.0657。该配合物中Nd3+离子与来自TPTZ配体的三个N原子，来自三个硝酸根离子的六个O原子以及来自一个配位水分子的一个O原子配位形成了扭曲的双帽四方反棱柱形几何结构，配合物分子通过水分子之间的氢键及吡啶环之间的π-π堆积作用，形成了配合物的超分子网络结构。 【关键词】稀土配合物；2,4,6–三(2–吡啶)–1,3,5–三嗪（TPTZ）；晶体结构；表征。  Synthesis，structure and properties of Nd—2,4,6-tri(pyridin-2-yl)-1,3,5-triazine complexes Abstract 【ABSTRACT】Based on rare earth ions and 4，5-imidazole dicarboxylic acid and 2,4,6-tri(pyridin-2-yl)-1,3,5-triazine in 170℃ conditions obtained by Hydrothermal method with a polymer [Nd(C18H12N6)(NO3) 3(H2O)]?2H2O。Complex crystallizes in triclinic crystal system space group P-1 with a=9.5799(5)?, b=11.9688(7) ?, c=12.5711(6) ?, α = 115.376(5)，β=102.611(5) ?,γ = 94.659（5），V=1245.7(1) ?3, Z=2, R1=0.0344, wR=0.0657。The asymmetric unit of the title compound comprised one Nd3+ ion, one 2,4,6-tri(pyridin-2-yl)-1,3,5-triazine ligand, three nitrate anions, one coordinated water molecules and two uncoordinated water molecules. The Nd3+ ion is in a distorted bicapped square-antiprismatic geometry formed by by three N atoms from tptz ligand, six O atoms from three nitrate anions and one O atoms from water molecules. The O-H…O hydrogen bonds linke the complexes and two types of π-π stacking interactions are between the TPTZ ligand of adjacent complexes . 【KEYWORDS】Lanthanide complex；2,4,6-tri(pyridin-2-yl)-1,3,5-triazine；Crystal structure；