([Zn(4-hydroxypyridine-2,6-dicarboxylato(2-))]*H2O)n | 906532-43-2

• 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
• 英文名称: ([Zn(4-hydroxypyridine-2,6-dicarboxylato(2-))]*H2O)n
• 英文别名: [Zn(chelidamic acid(-2H)(2-))]n*nH2O；([Zn(HCAM)]*H2O)n
• CAS: 906532-43-2
• 化学式: C₇H₃NO₅*H₂O*Zn
• 分子量: 264.51
• InChiKey: QSYSAQXMPNDVSI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.31
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  144.88
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  4-氧代-1,4-二氢-2,6-吡啶二甲酸 、 水 、 zinc(II) sulfate 以 乙醇 、 水 为溶剂， 以57%的产率得到([Zn(4-hydroxypyridine-2,6-dicarboxylato(2-))]*H2O)n
  参考文献：
  名称：

  Synthesis and Characterization of Metal−Organic Frameworks Based on 4-Hydroxypyridine-2,6-dicarboxylic Acid and Pyridine-2,6-dicarboxylic Acid Ligands

  摘要：

  The self-assembly of 4-hydroxypyridine-2,6-dicarboxylic acid (H(3)CAM) and pyridine-2,6-dicarboxylic acid (H(2)PDA) with Zn(II) salts under hydrothermal conditions gave two novel coordination polymers {[Zn(HCAM)]center dot H2O}(n) (1) and {[Zn(PDA)(H2O)(1.5)]}(n) (1a). 1 and 1a comprise of a 2D (4,4) net and a 1D zigzag chain, respectively, in which a new coordination mode of PDA is found. The reactions of H(3)CAM and H(2)PDA with Nd2O3 in the M/L ratio 2:3 gave {[Nd-2(HCAM)(3)(H2O)(4)], 2H(2)O}(n) (2) and {[Nd-2(PDA)(3)(H2O)(3)]center dot 0.5H(2)O}(n) (2a). In 2, a square motif as a building block constructed by four Nd(III) ions was further assembled into a highly ordered 2D (4,4) grid. 2a is a 3D microporous coordination polymer. It is interesting to note that, when Ln(III) salts rather than oxides were employed, the reaction produced {[Ln(CAM)(H2O)(3)]center dot H2O}(n) (Ln = Gd, 3; Dy, 4; Er, 5) for H(3)CAM and {[Gd-2(PDA)(3)(H2O)(3)]center dot H2O}(n) (3a) for H2PDA. 3-5 are 2D coordination polymers with a 3(3)4(2) uniform net, where hydroxyl groups of H(3)CAM coordinate with metal ions. The reaction of H(3)CAM and Er2O3 instead of Er(ClO4)(3) produced {[Er-2(HCAM)(3)(H2O)(4)]center dot 2H(2)O}(n) (6). The compounds 2a and 3a, 2 and 6 are isomorphous. The stereochemical and supramolecular effects of hydroxyl groups result in the dramatic structural changes from 1D (1a) to 2D (1) and from 2D (2) to 3D (2a). When Ln(III) salts instead of Ln(2)O(3) were employed in the hydrothermal reactions with H(3)CAM, different self-assembly processes gave the products of different metal/ligand ratio with reactants (3-5).

  DOI：

  10.1021/ic060550j

文献信息

• [Zn(C7H3O5N)]n·nH2O: A third-order NLO Zn coordination polymer with spiroconjugated structure
  作者：Guo-Wei Zhou、You-Zhao Lan、Fa-Kun Zheng、Xin Zhang、Meng-Hai Lin、Guo-Cong Guo、Jin-Shun Huang

  DOI：10.1016/j.cplett.2006.06.034

  日期：2006.8

  [Zn(C7H3O5N)](n) (.) nH(2)O (1) possesses an anticlockwise windmill-like framework structure and formats spiroconjugation over the infinite molecular layer that is predicted to have large static third-order polarizability and the convergence value of gamma(xxxx) reaches 6.86 x 10(-33) esu in the case of zero input photon energy. The third-order NLO properties of 1 were investigated via Z-scan techniques at wavelength of 532 nm. It showed strong third-order NLO absorptive properties, and its n2 value was calculated to be 4.15 x 10(-11) esu. The relationship between the spiroconjugated structure and the NLO property has been discussed, which supposed to be more valuable for the NLO research. (c) 2006 Elsevier B.V. All rights reserved.