[Ni(3,5-pyridinedicarboxylic acid)*H2O] | 406193-24-6

• 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: [Ni(3,5-pyridinedicarboxylic acid)*H2O]
• 英文别名: [Ni(pyridine-3,5-dicarboxylic acid(-2H))(H2O)]n
• CAS: 406193-24-6
• 化学式: C₇H₃NO₄*H₂O*Ni
• 分子量: 241.81
• InChiKey: QTDXUBXUWFMIRZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.02
• 重原子数：
  14.0
• 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：
  124.65
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  [Ni(3,5-pyridinedicarboxylic acid)*H2O] 以 neat (no solvent) 为溶剂， 生成 nickel(II) oxide
  参考文献：
  名称：

  Syntheses and characterizations of four metal coordination polymers constructed by the pyridine-3,5-dicarboxylate ligand

  摘要：

  A series of metal-organic frameworks, namely [Ni(PDB)(H2O)](n) (1), [Pb(PDB)(H2O)] center dot (H2O) (2), [Co-2(PDB)(2)(bpy)(2)(H2O)(4)] center dot 4H(2)O (3) and [CO2(PDB)(2)(phen)(2)](n) (4) (H2PDB = pyridine-3,5-dicarboxylic acid, bpy = 2,2'-bipyridine, phen = 1,10-phenanthroline), have been synthesized based on pyridine-3,5-dicarboxylate acid and two neutral chelate ligands, with different metal ions such as Ni-II, Co-II and Pb-II, under hydrothermal conditions. The framework structures of these polymeric complexes have been determined by the Xray single crystal diffraction technique. In the four complexes, the pyridine-3,5-dicarboxylate acid ligand exhibits diverse coordination modes, which play an important role in the construction of metal-organic frameworks. The thermal analyses of these four complexes have been measured and discussed. In addition, complex 2 shows strong phosphorescent emission at room temperature and the magnetic measurement of the polymer of 4 reveals a typical antiferromagnetic exchange. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.10.020
• 作为产物：
  描述：

  nickel dichloride 、 pyridine-3,5-dicarboxylic acid, disodium salt 以 水 为溶剂， 反应 2.0h， 以65%的产率得到[Ni(3,5-pyridinedicarboxylic acid)*H2O]
  参考文献：
  名称：

  3d金属金刚烷酸酯和二烟酸酯的光谱学（IR，拉曼光谱）和热重分析

  摘要：

  在这项工作中，3d金属（钴，铜，锌，锰，镍，铁）和钠盐与辛克膦酸（3,4-吡啶二羧酸）（3,4pda）和二烟酸（3的热和光谱性质）研究了（5-吡啶二羧酸）（3,5pda）。在400–4000 cm -1范围内记录并分析了IR和拉曼光谱。进行了合成化合物的热重研究。估计水合度和热分解产物。此外，根据环中羧基的位置，比较了3d-过渡金属阳离子和钠阳离子对吡啶分子的电子系统的扰动或稳定程度的影响。

  DOI：

  10.1007/s10973-016-5818-7

文献信息

• Synthesis and studies on single crystal structure of [Ni(3,5-pdc)·H 2 O] (3,5-pdc=3,5-pyridinedicarboxylic acid)
  作者：Haitao Xu、Nengwu Zheng、Hanhui Xu、Yonggang Wu、Ruyi Yang、Enyi Ye、Xianglin Jin

  DOI：10.1016/s0022-2860(01)00858-4

  日期：2002.3

  The hydrothermal synthesis and structure of a novel 3-D coordination polymer [Ni(3,5-pdc).H2O] are reported (Fig. 2). The metal Ni2+ ion centers are in the octahedron coordination environment. Carboxylic groups of 3,5-pdc, present chelate and bridging modes, respectively. The chelate ones and nitrogen atoms connect Ni(II) centers to form layers parallel to X and Y axis, and the carboxylic groups of bridging mode link these layers to engender one-dimensional channels along the Z axis. Coordination water molecules fill these channels. (C) 2002 Elsevier Science B.V. All rights reserved.