catena-(trans-(μ₂-fumarato)tetraaquacobalt(II)) | 26266-33-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: catena-(trans-(μ₂-fumarato)tetraaquacobalt(II))
• 英文别名: cobalt(II) fumarate tetrahydrate；fumaric acid ; cobalt (II)-fumarate tetrahydrate；[Co(II)(fumarate(2-))(H2O)4]；Co(H2O)4(fumarate)；trans-Co(fum)*4H2O；Fumarsaeure; Kobalt(II)-fumarat-tetrahydrat
• CAS: 26266-33-1；65143-21-7；75212-96-3；99625-25-9；121931-74-6；123395-64-2
• 化学式: C₄H₂O₄*Co*4H₂O
• 分子量: 245.112
• InChiKey: QGQKMTPZMRAYIS-SEPHDYHBSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.78
• 重原子数：
  10.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  111.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  catena-(trans-(μ₂-fumarato)tetraaquacobalt(II)) 以 neat (no solvent, solid phase) 为溶剂， 生成 cobalt(II) oxide
  参考文献：
  名称：

  两种富马酸酯桥联的Co（II）配位聚合物：Co（H 2 O）4 L和[Co 3（H 2 O）4（OH）2 L 2 ]·2H 2 O与H 2的合成，晶体结构和性质LHOOCCHCHCOOH

  摘要：

  两个fumarato桥连的Co（II）配位聚合物有限公司（H 2 O）4大号1和[CO 3（H 2 O）4（OH）2大号2 ]·2H 2 ö 2用H 2 LHOOCCHCHCOOH分别准备好了。复杂1由聚合链的∞ 1 [CO（H 2 O）4（C 4 H ^ 2 ö 4）2/2]，是由双单齿富马酸根阴离子桥接的八面体配位的Co原子产生的，并由链间氢键组装而成。在2内，边缘共享的Co 2 O 10双八面体连接到CoO 6八面体以形成1D氧化钴链，而由双双富马酸根阴离子相互连接的链生成的3D开放框架显示出菱形隧道，充满晶格的H 2 O分子。讨论了两种标题配位聚合物的热行为和磁行为。晶体数据：（1）单斜晶，P 2 1 / c，Z = 4，a= 7.493（1）埃，b = 14.377（1）埃，c ^ = 7.708（1）埃，β = 99.54（1）°，V = 818.9（2）埃3，- [R 1

  DOI：

  10.1016/j.jssc.2003.11.008
• 作为产物：
  描述：

  富马酸 、 cobalt(II) carbonate 在 H₂O 作用下， 以 neat (no solvent) 为溶剂， 生成 catena-(trans-(μ₂-fumarato)tetraaquacobalt(II))
  参考文献：
  名称：

  钴 (II) 和镍 (II) 的富马酸和巴豆酸化合物的热研究

  摘要：

  摘要 在水溶液中制备了富马酸和巴豆酸与钴和镍的新化合物。这些已通过分析、磁矩、振动和电子光谱表征的化合物具有聚合八面体结构。它们都是水合的，但巴豆酸钴化合物除外，它是无水的。已通过热重分析和差热分析研究了化合物的热行为。热分解研究表明，水合化合物失去水，然后有机配体得到金属氧化物。无水化合物失去有机配体得到金属氧化物。

  DOI：

  10.1016/0040-6031(89)87057-1

文献信息

• A comparative study on the thermal decomposition of some transition metal maleates and fumarates
  作者：B. S. Randhawa、M. Kaur

  DOI：10.1007/s10973-005-7473-2

  日期：2007.7

  Thermal decomposition of M(mal/fum)· x H2O ( M =Mn, Co, Ni) has been studied in static air atmosphere from ambient to 500°C employing TG-DTG-DTA, XRD and IR spectroscopic techniques. After dehydration the anhydrous maleate salts decompose to metal oxalate in the temperature range of 320–360°C, which at higher temperature undergo an abrupt oxidative pyrolysis to oxides. The anhydrous fumarate salts

  利用TG-DTG-DTA，XRD和IR光谱技术研究了M（mal / fum）· x H 2 O（ M = Mn，Co，Ni）在静态空气中从环境温度到500°C的热分解 。脱水后，无水马来酸盐在320–360°C的温度范围内分解为草酸金属，在较高的温度下会发生突然的氧化热解成氧化物。已经发现无水富马酸盐直接分解成氧化物相。热分析的比较表明，富马酸酯比马来酸酯在热上更稳定。
• Monitoring the formation of carbide crystal phases during the thermal decomposition of 3d transition metal dicarboxylate complexes
  作者：Zachary J. Huba、Everett E. Carpenter

  DOI：10.1039/c4dt01207k

  日期：——

  identify the developed gaseous decomposition products. All complexes tested showed a reduction from the starting M2+ oxidation state to the M0 oxidation state, upon decomposition. Also, each complex tested showed CO2 and H2O as gaseous decomposition products. Nickel succinate, iron succinate, and iron fumarate complexes were found to form carbide phases upon decomposition. This proves that transition

  单分子前体可以通过减少必要的起始试剂的数量来帮助简化复杂合金的合成。但是，单分子前体的制备很耗时，很少有市售的。在这项研究中，一种简单的沉淀方法用于制备富马酸铁，钴和镍以及琥珀酸的络合物。然后将这些络合物在惰性气氛中热分解，以测试其作为单分子前体形成金属碳化物相的效率。使用高温X射线衍射来鉴定在金属二羧酸盐配合物分解时产生的晶相。使用热重分析与红外检测器结合来鉴定所产生的气态分解产物。所有测试的配合物均显示出起始M的减少2+氧化态分解为M 0氧化态。另外，每种测试的配合物显示CO 2和H 2 O为气态分解产物。发现琥珀酸镍，琥珀酸铁和富马酸铁络合物在分解时形成碳化物相。这证明过渡金属二羧酸盐可用作形成金属碳化物晶体相的有效单分子前体。
• Maleate–fumarate conversion and other novel aspects of the reaction of a Co(ii) maleate with pyridine and bipyridine
  作者：M. Padmanabhan、James C. Joseph、A. Thirumurugan、C. N. R. Rao

  DOI：10.1039/b718623a

  日期：——

  Reaction of a molecular Co(II) maleate, [Co(Hmal)2(H2O)4], with pyridine yields a Co(II) fumarate, [Co(fum)(H2O)4], with a chain structure and a chiral pyridylsuccinic acid zwitter ion, −OOC–CH(N+C5H5)–CH2–COOH, in almost quantitative yields, while the reaction of 4,4′-bipyridine (bipy) with the Co(II) maleate, on the other hand, almost quantitatively generates a polylmeric Co(II) maleate, [Co(mal)(bipy)]n·(n/2)H2O along with the adduct of fumaric acid with bipyridine.

  分子马来酸 Co(II) [Co(Hmal)2(H2O)4] 与吡啶反应生成富马酸 Co(II) [Co(fum)( )4]，具有链结构和手性吡啶基琥珀酸两性离子，-OOC-CH(N+C5H5)-CH2-COOH，产率几乎定量，而 4,4-联吡啶 (bipy) 与 Co(II) 的反应另一方面，马来酸几乎定量地生成聚合马来酸Co(II)，[Co(mal)(bipy)]n·(n/2) 以及富马酸与联吡啶的加合物。
• Anion-directed supramolecular assembly of cobalt(II)-fluconazole coordination polymers: Structural diversity, fluorescent and magnetic properties
  作者：Lei Zhang、Wang-Wei Chen、Yuan-Yuan Ge、Yun Ling、Xin-Ping Ouyang、Jing Li、Miao Du

  DOI：10.1016/j.ica.2009.12.046

  日期：2010.3

  Six fluconazole-bridged cobalt(II) coordination polymers, namely [Co(HFlu)(2)(H2O)(2)](ClO4)(2) (1), [Co(HFlu) (2)(H2O)(AcO)](AcO)center dot 2C(2)H(5)OH (2), [Co(HFlu)(2)Cl-2]center dot 2C(2)H(5)OH (3), [Co-3(Flu)(2)(acac)(4)]center dot C2H5OH (4), [Co(HFlu) (2)(malo)(H2O)]center dot 3H(2)O (5), and [Co(HFlu)2(fum)(H2O)2]center dot H2O (6) (HFlu = 2-(2',4'-difluorophenyl)-1, 3-bis(1,2,4-triazol-1-yl)-propan-2-ol, AcOH = acetate acid, Hacac = acetylacetonate, H(2)malo = malonate acid, H(2)fum = fumaric acid), have been synthesized and structurally characterized, and the thermal, fluorescent and magnetic properties investigated. The crystal structures display the one-dimensional cationic double-bridged chain consisting of 20-membered macrocycles to be parallel in 1 and perpendicular in 2. The structure of 3 consists of two-dimensional neutral rhombic grid in bc plane with (4,4) topology and alternative P/M helices intersecting at the Co sites along b direction. Complex 4 shows one-dimensional polymeric chain, in which binuclear Co-2(Flu)(2)(acac)(2) units act as bridging blocks to link Co(acac)(2) nodes through triazolyl nitrogen atoms. The structure of 5 shows dimeric 20-membered macrometallacyclic motif. Complex 6 shows HFlu-bridged one-dimensional chain, which is stabilized by hydrogen-bonding interactions to produce alternative hydrophobic and hydrophilic architecture. Complexes 1-3 and 5-6 exhibit the similar electronic absorption and fluorescent spectra as those of HFlu, while complex 4 shows a fluorescent quenching phenomenon. Fluorescence titration of HFlu suggests that the fluorescent intensities at the maximal emission decrease upon the addition of Co(acac)(2). The variable-temperature magnetic measurement of 4 reveals weak ferromagnetic interaction combined with the spin-orbit coupling effect in the 1-D Co(II) chain. (C) 2009 Elsevier B.V. All rights reserved.
• Magnetic Properties of Weakly Exchange-Coupled High Spin Co(II) Ions in Pseudooctahedral Coordination Evaluated by Single Crystal X-Band EPR Spectroscopy and Magnetic Measurements
  作者：Nicolás I. Neuman、Elín Winkler、Octavio Peña、Mario C. G. Passeggi、Alberto C. Rizzi、Carlos D. Brondino

  DOI：10.1021/ic402797t

  日期：2014.3.3

  We report single-crystal X-band EPR and magnetic measurements of the coordination polymer catena-(trans-(mu(2)-fumarato)tetraaquacobalt(II)), 1, and the Co(II)-doped Zn(II) analogue, 2, in different Zn:Co ratios. 1 presents two magnetically inequivalent high spin S = 3/2 Co(II) ions per unit cell, named A and B, in a distorted octahedral environment coordinated to four water oxygen atoms and trans coordinated to two carboxylic oxygen atoms from the fumarate anions, in which the Co(II) ions are linked by hydrogen bonds and fumarate molecules. Magnetic susceptibility and magnetization measurements of 1 indicate weak antiferromagnetic exchange interactions between the S = 3/2 spins of the Co(II) ions in the crystal lattice. Oriented single crystal EPR experiments of 1 and 2 were used to evaluate the molecular g-tensor and the different exchange coupling constants between the Co(II) ions, assuming an effective spin S' = 1/2. Unexpectedly, the eigenvectors of the molecular g-tensor were not lying along any preferential bond direction, indicating that, in high spin Co(II) ions in roughly octahedral geometry with approximately axial EPR signals, the presence of molecular pseudo axes in the metal site does not determine preferential directions for the molecular g-tensor. The EPR experiment and magnetic measurements, together with a theoretical analysis relating the coupling constants obtained from both techniques, allowed us to evaluate selectively the exchange coupling constant associated with hydrogen bonds that connect magnetically inequivalent Co(II) ions (IJ(AB)(1/2)vertical bar = 0.055(2) cm(-1)) and the exchange coupling constant associated with a fumarate bridge connecting equivalent Co(II) ions (IJ(AA)(1/2)vertical bar approximate to 0.25 (1) cm(-1)), in good agreement with the average J(3/2) value determined from magnetic measurements.