| 1425938-52-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 1425938-52-8
• 化学式: C₈H₈N₂O₄*H₂O*Zn
• 分子量: 279.568
• InChiKey: STCKLIKOHDTDRD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.0
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  138.75
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  水 、 2-丙基咪唑二羧酸 、 zinc perchlorate 以 水 为溶剂， 以56%的产率得到
  参考文献：
  名称：

  ZnII/CdII-coordination polymers from 1D chain, 2D layer to 3D framework with imidazole-based dicarboxylate ligand

  摘要：

  Three Zn-II/Cd-II-coordination polymers based on 2-propyl-4,5-imidazoledicarboxylate (H(3)pimdc), namely, [Zn(Hpimdc)H2O](n) (1), [Cd(H(2)pimdc)(2)](n) (2) and [Cd-2(Hpimdc)(2)(bbi)(0.5)(H2O)(2)](n) [bbi = 1,10-(1,4-butanediyl)bis(imidazole)] (3), have hydrothermally been synthesized, which exhibit a systematic dimensional variation by changing the metal ions or introducing the auxiliary ligand. Complex 1 is a 1D zig-zag polymeric chain, which is finally extended into a 3D supramolecular network through R-4(4) (12) O-H center dot center dot center dot O H-bonding rings. Complex 2 shows a 2D layer comprised alternately arranged left-and right-handed helical chains. Complex 3 features a rare (3,3)-connected 8(3) network with opposite chiral layers in a slipped ABAB fashion. The photoluminescent properties and thermal stabilities of three complexes are also discussed. Crown Copyright (C) 2011 Published by Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.12.011

文献信息

• Alkyl substituents introduced into novel d¹⁰-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties
  作者：Quan-Guo Zhai、Rong-Rong Zeng、Shu-Ni Li、Yu-Cheng Jiang、Man-Cheng Hu

  DOI：10.1039/c2ce26063h

  日期：——

  Seven novel d10-metal–imidazole-4,5-dicarboxylate compounds namely [Zn(H2EIMDC)2(H2O)2]·2.25H2O (1), [Ag2(HPIMDC)(HPIM)2] (2), [Zn(HPIMDC)(H2O)]n (3), [Cd(H2PIMDC)2]}n (4), (H3O)[Cd(MIMDC)]}n (5), (H3O)[Cd(EIMDC)]}n (6) and (H3O)[Cd2(PIMDC)(HPIMDC)]}n (7), (H3MIMDC = 2-methyl-1H-imidazole-4,5-dicarboxylic acid, H3EIMDC = 2-ethyl-1H-imidazole-4,5-dicarboxylic acid, and H3PIMDC = 2-propyl-1H-imidazole-4,5-dicarboxylic acid, HPIM = 2-propyl-1H-imidazole), have been synthesized by careful control of the synthetic conditions such as the solvent, pH value and the metal-to-ligand molar ratios. X-ray single-crystal structural analyses reveal that the change of alkyl groups on the 2-position of the ligand leads to the diversity of their structures, which range from discrete compounds (1 and 2), one-dimensional chain (3), two-dimensional layer (4) to three-dimensional frameworks (5, 6 and 7). Specially, under the same reaction conditions, the extending of the 2-position alkyl substitutents gradually reduces the symmetry of the ultimate 3D frameworks, which vary from tetragonal I4/mmm (5), tetragonal P42/nmc (6) to orthorhombic Pbam (7) space groups. Alkyl-substituted imidazole-4,5-dicarboxylate ligands exhibit either singly, doubly, or triply deprotonated fashion, and coordinate to Zn(II), Cd(II) or Ag(I) ions in terminal μ2-, μ3- or μ4-modes. Compounds 1–7 have also been characterized by means of elemental analyses, X-ray powder diffractions, FT-IR, TGA and gas-adsorption. Furthermore, solid-state photoluminescence measurements show that all these d10-metal compounds produce strong blue emissions at room temperature.

  七种新型的d10金属-咪唑-4,5-二羧酸盐化合物，即[Zn(H2EIMDC)2(H2O)2]·2.25 （1）、[Ag2(HPIMDC)(HPIM)2]（2）、[Zn(HPIMDC)( )]n（3）、[Cd(H2PIMDC)2]}n（4）、(H3O)[Cd(MIMDC)]}n（5）、( )[Cd(EIMDC)]}n（6）和( )[Cd2(PIMDC)(HPIMDC)]}n（7），(H3MIMDC = 2-甲基-1H-咪唑-4,5-二羧酸，H3EIMDC = 2-乙基-1H-咪唑-4,5-二羧酸，H3PIMDC = 2-丙基-1H-咪唑-4,5-二羧酸，HPIM = 2-丙基-1H-咪唑)，通过对合成条件如溶剂、pH值和金属与配体摩尔比的严格控制而合成。X射线单晶结构分析显示，配体2位的烷基基团的变化导致了其结构的多样性，从离子化合物（1和2）、一维链（3）、二维层（4）到三维框架（5、6和7）。特别是在相同的反应条件下，2位烷基取代基的延伸逐渐降低了最终三维框架的对称性，分别为四方I4/mmm（5）、四方P42/nmc（6）和正交Pbam（7）空间群。烷基取代的咪唑-4,5-二羧酸盐配体以单体、双体或三体去质子化的方式存在，并且以终端μ2-、μ3-或μ4-模式与Zn(II)、Cd(II)或Ag(I)离子配位。化合物1-7还通过元素分析、X射线粉末衍射、FT-IR、TGA和气体吸附等方法进行了表征。此外，固态光致发光测试表明，所有这些d10金属化合物在室温下均产生强烈的蓝色发光。