丙烯三羧酸铜(II)配合物的合成与结构表征【毕业设计】.doc

- PAGE I - （20 届） 本科毕业设计 丙烯三羧酸铜(II)配合物的合成与结构表征 Syntheses and structural characterization of trans-1,2,3-propenetricarboxylate copper(II) complexe 所在学院 专业班级 化学 学生姓名 学号 指导教师 职称 完成日期 年 月 丙烯三羧酸铜(II)配合物的合成与结构表征 PAGE 8 PAGE 7 摘 要 【摘要】在水溶液中，应用CuCO3与1,2,3-丙烯三羧酸(H3TAC)以及2,2-联吡啶(bpy)反应合成得到配合物[Cu(bpy) (HTAC)]·2.5H2O，对其进行了单晶X-射线衍射、热分析测试以及红外等表征。单晶X?线衍射晶体结构测定表明，该晶体属于单斜晶系，P21/c ?(No.14) 空间群，晶胞参数a = 10.004(2), b = 7.0591(1), c = 25.607(5), α = 90.00, ? = 99.17(3)，γ = 90.00, V = 1785.3(6), Z = 4, Dc = 1.625 g.cm-3, F(000) = 896, 在3151独立衍射点中，有2259个满足[Fo2?2σ(Fo2)]，R1 = 0.0381, wR2 = 0.0688。单晶X–射线衍射分析表明配合物的非对称单元含有一个Cu(II)离子、一个2,2’–联吡啶、一个顺式构型的1,2,3–丙烯三羧酸一氢根离子(HTAC2–)和2.5个结晶水分子。每一个Cu2+离子与分属于二个HTAC2–离子的四个羧基氧原子和一个2,2’–联吡啶的中两个氮配位形成八面体CuN2O4发色团。八面体CuN2O4发色团通过1,2,3-丙烯三羧酸的桥联作用形成一维超分子链结构，链与链之间继而再通过水分子间的氢键作用形成三维超分子构筑。 【关键词】铜配合物；1,2,3-丙烯三羧酸；2,2’-联吡啶；晶体结构。 Abstract 【ABSTRACT】The complex [Cu(bpy)(HTAC)]·2.5H2O with fresh CuCO3, 1,2,3-Propene-tricarboxylic acid (H3TAC) and 2,2’-bipyridine (bpy) has been synthesized by mean of aqueous solution way and characterized by the single crystal X-ray diffraction, IR spectroscopic and thermal analysis. The complexe crystallizes in monoclinic system, space group P21/c with unit cell dimensions a = 10.004(2), b = 7.0591(1), c = 25.607(5), α = 90.00, ? = 99.17(3), γ = 90.00, V = 1785.3(6), Z = 4, Dc = 1.625 g.cm-3 and F(000) = 896. A total of 3151 reflections were collected, of which 2259 observed reflections were satisfied [Fo2?2σ(Fo2)] with R1 = 0.0381, wR2 = 0.0688. Single crystal X-ray diffraction analysis showed that the asymmetric unit of the complex consists of one Cu(II) ion, one bpy molecule, one trans-HTAC anion and two and half a molecules. The Cu atoms are each coordinated by two trans-HTAC groups with four oxygen atoms and one bpy molecules with two nitrogen atoms to form octahedral CuN2O4 choromophore. The CuN2O4 geom