tetrakis(μ2-acrylate-O,O')-bis(H2O)-dicopper(II) | 233252-99-8

• 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: tetrakis(μ2-acrylate-O,O')-bis(H2O)-dicopper(II)
• CAS: 233252-99-8
• 化学式: C₁₂H₁₆Cu₂O₁₀
• 分子量: 447.345
• InChiKey: NBNVIDMEFYYAJT-UHFFFAOYSA-J

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

• 作为反应物：
  描述：

  咪唑 、 tetrakis(μ2-acrylate-O,O')-bis(H2O)-dicopper(II) 以 甲醇 为溶剂， 生成 bis(acrylate)-bis(imidazole)-copper(II) 、 tetrakis(μ2-acrylate-O,O')-bis(imidazole)-dicopper(II)
  参考文献：
  名称：

  Syntheses, characterization and crystal structure of copper(II) α,β-unsaturated carboxylate complexes with imidazole

  摘要：

  Four copper(II) alpha,beta-unsaturated carboxylate complexes with imidazole, Cu(CH2=CH-COO)(2)(imH)(2) (1), Cu-2(CH2=CH-COO)(4)(imH)(2) (2), Cu[CH2=C(CH3)-COO](2)(imH)(2) (3) and Cu-2[CH2=C(CH3)-COO](4)(imH)(2) (4) (where imH=imidazole) have been prepared and characterized by elemental analyses, IR, ESR and electronic reflectance spectroscopies. The single crystal X-ray diffraction study of complex 3 shows that the copper(II) atom is in a symmetric centre of a square planar environment completed by two monodentate alpha-methacrylate groups and two imidazole ligands displayed in trans position. Each molecular unit is linked with four neighbouring units by hydrogen-bond interactions forming a two-dimensional supramolecular compound (d(N ... O)=2.781 Angstrom). Complex 1 has a similar structure as complex 3, while complexes 2 and 4 have a binuclear cage structure. The ESR spectra show that the spin coupling between the unpaired electrons of Cu(II) atoms present in complexes 2 and 4, is not observed in complexes 1 and 3. The electronic reflectance spectra suggest that the d-d transitions of complexes 1 and 3 are in a square planar ligand field, while that of complexes 2 and 4 are in a tetragonal ligand field, and the ligand field strength of acrylate group and alpha-methacrylate group is similar. Complexes 1 and 2 as well as 3 and 4, were produced simultaneously in the reaction of the corresponding copper(II) alpha,beta-unsaturated carboxylate with imidazole in methanol solution. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00092-3

文献信息

• Molecular structure, characterization and magnetic properties of novel mixed-valence copper(I,II) α,β-unsaturated carboxylate complexes with triphenylphosphine and methanol ligands
  作者：Yao-Yu Wang、Qian Shi、Qi-Zhen Shi、Yi-Ci Gao、Xun Hou

  DOI：10.1016/s0277-5387(00)00327-2

  日期：2000.4

  In complex 2 two copper(II) atoms in a molecule are linked by four carboxylate groups forming a dimeric unit Cu(2)(II)A(4), and each copper(II) atom coordinates with a copper(I) moiety through a mu(2)-O,O' carboxylate group. The electronic reflectance spectra in the solid state suggest a square pyramidal coordination environment around the copper(II) atoms. Bond valence calculations further confirm

  两个新的混合价四核铜（I，II）ol，α-不饱和羧酸盐络合物Cu（2）（I）Cu（2）（II）A（6）（PPh3）（4）（ OH）（2）（ 1，1，A = CH2 = CH-COO-; 2，A = = C（CH3）-COO-）通过在甲醇中用三苯基膦部分还原Cu（2）A（4）（H2O）（2）合成解决方案，并通过元素分析，IR，ESR，电子反射光谱以及磁化率测量来表征。在络合物2中，分子中的两个铜（II）原子通过四个羧酸酯基团连接，形成二聚单元Cu（2）（II）A（4），每个铜（II）原子通过mu（2）-O，O'的羧酸根基团。固态的电子反射光谱表明在铜（II）原子周围有一个方形的金字塔配位环境。键价的计算进一步证实了混合价体系的存在和铜原子的氧化态。粉末样品的室温X波段ESR光谱和可变温度磁化率研究表明，两个铜（II）原子之间存在强反铁磁交换相互作用，对于配合物1和2J =-2 cm