chloro(2-(1H-imidazol-1-yl) acetic acid)(2-(1H-imidazol-1-yl)acetate)zinc(II) | 1383714-17-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: chloro(2-(1H-imidazol-1-yl) acetic acid)(2-(1H-imidazol-1-yl)acetate)zinc(II)
• CAS: 1383714-17-7
• 化学式: C₅H₅N₂O₂*C₅H₆N₂O₂*Cl*Zn
• 分子量: 352.065
• InChiKey: QAPVOOJWKUAOMZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -4.4
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  113.07
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  1H-咪唑-1-乙酸盐酸盐 、 zinc(II) acetate dihydrate 以 neat (no solvent, solid phase) 为溶剂， 以47%的产率得到chloro(2-(1H-imidazol-1-yl) acetic acid)(2-(1H-imidazol-1-yl)acetate)zinc(II)
  参考文献：
  名称：

  Synthesis and structural characterization of several new coordination polymers of 2-(1H-imidazol-1-yl) acetic acid

  摘要：

  The combination of the polydentate ligand 2-(1H-imidazol-1-yl) acetic acid (Hima) with metal ions (Pb2+, Li+, Zn2+, Cd2+, Fe2+ and Co2+) leads to seven different coordination polymers: [Pb-3(imaH)(2)Cl-6](n) (1, layer), [Pb(ima)(2)(NO3)(2)](n) (2, chain), [Li2H(ima)(2)(H2O)(2)Cl](n) (3, chain), [Zn(imaH)(ima)Cl](n) (4, chain), [Cd(imaH) Cl-2](n) (5, chain), and [M(ima)(2)]n (6, M = Fe; 7, M = Co; layer). All compounds were characterized by FT-IR, elemental analysis and TG analysis, and their structures were determined by single crystal X-ray diffraction. According to the structural analysis, compound 1 shows a [Pb3Cl6] layer; compounds 2-4 show an infinite chain, but they were connected with imaH or ima bridges, respectively; compound 5 also has an infinite chain constructed of double chloride bridges; and compounds 6 and 7 exhibit layers without chloride ions involved. In these compounds, the ligand adopts two kinds of forms (anion, ima or zwitter-ion, imaH) and shows diverse modes of coordination. More interestingly, chloride as the second anion participated in the structural architecture based on its different affinities with metal ions. Solid-state room temperature luminescence spectra revealed that emission bands of compound 1 were located at 455 nm, compound 4 at 425 nm, and compound 5 at 550 nm (lambda(ex) = 390 nm), which is mainly assigned to the Ligand-Metal Charge Transfer (LMCT). (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.04.018