[Cd(4,4'-bis(imidazol-1-yl)diphenyl ether)(5-hydroxy-isophthalic acid(-2H))*H2O](n) | 1268939-09-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Cd(4,4'-bis(imidazol-1-yl)diphenyl ether)(5-hydroxy-isophthalic acid(-2H))*H2O](n)
• 英文别名: [Cd(BIDPE)(5-OH-bdc)*H2O](n)
• CAS: 1268939-09-8
• 化学式: C₈H₄O₅*C₁₈H₁₄N₄O*Cd*H₂O
• 分子量: 612.877
• InChiKey: YJACGLATVNJAQU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.14
• 重原子数：
  38.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  176.86
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  cadmium(II) nitrate tetrhydrate 、 1H-咪唑,1,1'-(氧代二-4,1-亚苯基)双- 、 5-羟基间苯二甲酸 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以73%的产率得到[Cd(4,4'-bis(imidazol-1-yl)diphenyl ether)(5-hydroxy-isophthalic acid(-2H))*H2O](n)
  参考文献：
  名称：

  Six New Metal−Organic Frameworks Based on Polycarboxylate Acids and V-shaped Imidazole-Based Synthon: Syntheses, Crystal Structures, and Properties

  摘要：

  Solvothermal reactions of 4,4'-bis(imidazol-1-yl)diphenyl ether (BIDPE) with deprotonated 5-hydroxy-isophthalic acid (5-OH-H(2)bdc), and benzene-1,3,5-tricarboxylic acid (H(3)btc) in the presence of cadmium(II), zinc(II), cobalt(II), nickel(II), and manganese(II) salts in H2O or H2O/DMF produced six new complexes, namely, [Cd(BIDPE)(5-OH-bdc)center dot H2O](n) (1), [Co(BIDPE)(5-OH-bdc)center dot H2O](n) (2), [Zn-3(BIDPE)(3) (5-OH-bdC)(3)center dot 4H(2)O](n) (3), [Ni(BIDPE)(2)(5-OH-bdc)(H2O)center dot 3H(2)O](n) (4), {[Mn-2(BIDPE)(2)(5-OH-bdc)(2)](n), (5), and [Ni(BIppE)(2)(Hbtc)(H2O)](n) (6). These complexes were characterized by elemental analysis, IR spectroscopy, and X-ray single-crystal diffraction. Compounds 1 and 2 reveal the same two-dimensional (2D) sheets with a 32-membered [(Cd/Co)(2)(BIDPE)(2)] metallocyclic ring constructed from BIDPE and 5-OH-H(2)bdc with Cd or Co salts. For compound 3, six identical 2D sheets are polycatenated in parallel to form a rare 2D 2D framework; it displays ferroelectric behavior with a remnant electric polarization (P-r) of 0.033,mu C/cm(2) and an electric coercive field (E-c) of 11.15 kV/cm. In compounds 4 and 6, only one carboxyl group coordinated to the Ni atom from 5-OH-H(2)bdc or H(3)btc. Compound S exists as binuclear Mn clusters, which are linked by BIDPE and 5-OH-H(2)bdc to generate a 2D sheet and displays weak antiferromagnetic character. In addition, the thermal stabilities and photochemical properties of these new complexes have been studied.

  DOI：

  10.1021/ic102207n