hexaaquacobalt(II) dihydrogen 1,2,4,5-benzenetetracarboxylate | 87635-52-7

• 英文名称: hexaaquacobalt(II) dihydrogen 1,2,4,5-benzenetetracarboxylate
• 英文别名: [hexaaquacobalt(II)(1,2,4,5-benzenetetracarboxylic acid(-2H))](n)；[Co(H2O)6(H2Btec)](n)
• CAS: 87635-52-7
• 化学式: C₁₀H₄O₈*CoH₁₂O₆
• 分子量: 419.222
• InChiKey: NDLOXGPPKJAZSF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  cobalt(II) sulfate 、 均苯四甲酸 在 BaCl₂ 、 KOH 作用下， 以 水 为溶剂， 生成 hexaaquacobalt(II) dihydrogen 1,2,4,5-benzenetetracarboxylate
  参考文献：
  名称：

  Study of the aqueous reactions of metallic ions with benzenetetracarboxylate ions

  摘要：

  The reactions of several divalent transition metals with 1,2,4,5-benzenetetracarboxylate ions were studied in aqueous solution. Mn(II), Co(II) and Ni(II) produced ionic products of formula [M(H2O)(6)][C6H2(COO)(2)(COOH)(2)]. The three compounds were characterized by crystallographic methods. The results have shown that the three crystals are isostructural and that they belong to the monoclinic C2/c space group. The metal atom and two O atoms (from two aqua ligands) are located on a two-fold axis, while the other four aqua ligands are located in general positions. The anions contain an inversion center. The two hydrogens on the carboxylic functions form intramolecular H bonds with the carboxylate groups. The average M-OH2 bond distances are 2.181(1) Angstrom for Mn(II), 2.092(1) Angstrom for Co(II) and 2.056(1) Angstrom for Ni(II). The ions are linked together by extensive H bonds. With the Ni salt, a dinuclear species, containing a bridging benzenetetracarboxylato ligand was synthesized and characterized by X-ray diffraction. The compound Ni(H2O)(5)(mu-C6H2(COO)(4))Ni(H2O)(5). 6H(2)O contains an inversion center in the center of the phenyl ring. The average Ni-OH2 distance is 2.0710(8) Angstrom and the sixth Ni-O bond is 2.0356(7) Angstrom. The Ni ... Ni distance is 11.360(2) Angstrom. The crystal is stabilized by a very elaborate H-bonding system forming a H-bonded three-dimensional network. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00086-4

文献信息

• Novel supramolecular compounds with three-dimensional hydrogen-bonded network [M(H2O)6][H2L] (H4L=1,2,4,5-benzenetetracarboxylic acid, M=MnII and CoII): syntheses, characterization and crystal structures
  作者：Li-Ya Wang、Yu Zhu、Chen-Xia Du、Huai-Bo Ma

  DOI：10.1016/s0022-2860(02)00046-7

  日期：2002.6

  Abstract Two hydrogen-bonded supramolecular compounds having the general formula [M(H 2 O) 6 ][H 2 L] (M=Mn II or Co II and H 4 L=1,2,4,5-benzenetetracarboxylic acid), have been newly prepared by the reaction of [M(H 2 O) 6 ](ClO 4 ) 2 and [C 6 H 2 (COOH) 4 ] (H 4 L), and structurally characterized by X-ray diffraction. The metal center in each compound is six-coordinated, forming an ideal octahedral

  摘要 两种氢键超分子化合物，通式为[M(H 2 O) 6 ][H 2 L] (M=Mn II or Co II and H 4 L=1,2,4,5-苯四甲酸)，已通过 [M(H 2 O) 6 ](ClO 4 ) 2 和 [C 6 H 2 (COOH) 4 ] (H 4 L) 的反应新制备，并通过 X 射线衍射进行结构表征。每个化合物中的金属中心是六配位的，形成理想的八面体几何形状。两个中性配方单元通过氢键形成独特的三维超分子结构，并通过静电力稳定。
• A short hydrogen bond investigation by polarized Raman spectra of Co2+ and Zn2+ salts of pyromellitic acid
  作者：Renata Diniz、Maria S. Dantas、Nelson G. Fernandes、Maria T.C. Sansiviero

  DOI：10.1016/j.saa.2006.07.025

  日期：2007.6

  Cobalt and zinc salts of 1,2,4,5-benzenetetracarboxylic acid (pyromellitic acid), [C(6)H(2)(COO)(4)H(4)], have been synthesized and investigate by polarized Raman spectroscopy. These compounds present short intramolecular hydrogen bonds (SHB) between adjacent carboxyl groups. Raman spectra indicate the presence of this interaction in both salts. Three specific vibrational of SHB modes have been investigated:

  1,2,4,5-苯四甲酸（均苯四酸）[C（6）H（2）（COO）（4）H（4）]的钴盐和锌盐已合成并通过偏振拉曼光谱研究。这些化合物在相邻的羧基之间具有短的分子内氢键（SHB）。拉曼光谱表明两种盐中都存在这种相互作用。SHB模式的三种特定振动已被研究：OHO对称[nu（sym）（OHO）]和非对称[nu（asym）（OHO）]拉伸模式和OH拉伸模式[nu（OH）]，它们在附近观察到300、850和2500 cm（-1）。从晶体学的观点来看，钴盐呈现出对称的SHB，而锌盐呈现出不对称的SHB。在钴盐中，极化拉曼光谱中OHO基团的所有三种振动模式均以A（g）取向发生，尽管在锌盐中观察到其中两种在A（g）取向中观察到，而在B（g）中则观察到。光谱分析表明，观察到nu（sym）（OHO）模式为A（g）表示钴盐，B（g）表示锌盐。该模式发生在拥挤的光谱区域中，并通过反卷积技术对其进行了识别。比较这两
• Supramolecular encapsulation of hexaaquacobalt(<scp>ii</scp>) cations in a hydrogen-bonded framework for slow magnetic relaxation and high proton conduction
  作者：Dong Shao、Yue Zhou、Xiaodong Yang、Jing Yue、Shujun Ming、Xiao-Qin Wei、Zhengfang Tian

  DOI：10.1039/d2dt03278c

  日期：——

  The supramolecular assembly of hexaaquacobalt(II) nitrate and a tetradentate carboxylate ligand resulted in the isolation of a cobalt hydrogen-bonded organic framework (HOF). Variable-temperature X-ray diffraction experiments reveal high thermal stability of the framework sustained by charge-assisted, multiple hydrogen bonding interactions with the co-former. Interestingly, the material shows field-induced

  六水合钴 ( II ) 硝酸盐和四齿羧酸盐配体的超分子组装导致钴氢键有机骨架 (HOF) 的分离。变温 X 射线衍射实验揭示了框架的高热稳定性，该框架由电荷辅助的、与共形成物的多重氢键相互作用维持。有趣的是，该材料显示出源自磁各向异性 Co 2+的场诱导磁化缓慢弛豫超分子框架内的离子，揭示了一种罕见的单离子磁铁 (SIM) HOF。此外，由于材料中广泛的氢键网络和高含量的水和羧酸盐，HOF 在 100 °C 以上还表现出高质子传导率。更重要的是，这些结果不仅观察到旧分子的磁学和电学特性，而且还证明了在超分子方法中实现的非功能性合成子的多功能性的显着开启效应。
• Functional self-assembly of hydrogen-bonded 3D coordination networks constructed from 1,2,4,5-benzenetetracarboxylic acid
  作者：Q. B. Bo、S. Y. Zhao、Z. W. Zhang、Y. L. Sheng、Z. X. Sun、G. X. Sun、C. L. Chen、Y. X. Li

  DOI：10.1134/s1070328407070019

  日期：2007.7

  Hydrothermal synthesis, characterization (IR, TG/DTA, element analysis, inductively coupled plasma (ICP)) and single-crystal X-ray structures of H(4)Btec hydrate and its two cobalt complexes, colorless [H(4)Btec center dot 2H(2)O] (n) (I), pink [Co(H2O)(6)(H(2)Btec)] (n) (II), and nacarat [Co(H2O)(3)(H(2)Btec)(Phen)] center dot H2O} (n) (III) (H(4)Btec = 1,2,4,5-benzenetetracarboxylic acid, Phen = 1,10-phenanthroline) have been solved. The results showed that I forms a 3D O-H center dot center dot center dot O hydrogen-bonded network generated from H(4)Btec and water molecules, II presents a 3D network constructed by mononuclear [Co(H2O)(6)](2+) cations and H(2)Btec(2-) dianions through extensive hydrogen-bonding interactions, and III gives rise to a pseudo-octahedral coordination geometry. Extensive hydrogen-bonding interactions have significant effects in configuring a 3D network constructed by mononuclear [Co(H(2)Btec)(Phen)(H2O)(3)] neutral molecules and a water molecules.