copper trimethylacetate dihydrate | 57029-30-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: copper trimethylacetate dihydrate
• 英文别名: dicopper;2,2-dimethylpropanoate;dihydrate
• CAS: 57029-30-8
• 化学式: C₂₀H₄₀Cu₂O₁₀
• 分子量: 567.624
• InChiKey: SSXHPLFGEXTWEY-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  copper trimethylacetate dihydrate 、 2-(4'-pyridyl)-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl 以 苯 为溶剂， 生成 Cu2(Me3CCOO)4(4,4,5,5-tetramethyl-2-(4-pyridyl)-2-imidazoline-N(1)-oxyl N(3)-oxide)2 * C6H6
  参考文献：
  名称：

  Magneto–structural correlation of dimeric copper(II) carboxylates with pyridyl-substituted nitronyl nitroxides

  摘要：

  The synthesis, crystal structure and magneto-structural correlations of three new paddle-wheel type dicopper(II) carboxylate complexes with pyridyl-substituted nitronyl nitroxides, [Cu-2(mu-Me3CCO2)(4)(NITpPy)(2)](C6H6) (1), [Cu-2(mu-CH3CO2)(4)(NITpPy)(2)] (2), and [Cu-2(mu-C6H6CH2CO2)(4)(NITmPy)(2)] (3) (NITpPy = 4,4,5,5-tetramethyl-2-(4-pyridyl)-2-imidazoline-N-1-oxyl N-3-oxide, NITmPy = 4,4,5, 5-tetramethyl-2-(3-pyridyl)-2-imidazoline-N-1-oxyl N-3-oxide) are reported. Structures of complexes 1-3 consist of a symmetrical dimeric Cu(II) carboxylate paddle-wheel core and pyridyl nitrogen atoms of radical ligands at the apical position. Cryomagnetic susceptibilities were measured in the temperature range 4-300 K. According to the structural results, the magnetic data are discussed in terms of four S = 1/2 spin units involving one strong coupled dicopper(II) unit plus two monomer nitroxyl radicals. It is found that two paddle-wheel copper(II) ions are strongly coupled antiferromagnetically with J = - 192, - 172, and - 160 cm(-1) for complexes 1, 2, and 3, respectively, while the interactions between copper(II) and the radicals are very weak. The magneto-structural correlations for complexes 1, 2, and 3 are discussed on the basis of the structural parameters and magnetic data for the complexes (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00219-4

文献信息

• Influence of ligands’ peripheral substituents on the structure, magnetochemical and electrochemical behaviour of complexes containing a Cu2O2 butterfly core
  作者：Nataliya E. Borisova、Marina D. Reshetova、Tatiana V. Magdesieva、Victor N. Khrustalev、Grigori G. Aleksandrov、Maxim Kuznetsov、Roman S. Skazov、Alexandr V. Dolganov、Vladimir N. Ikorskiy、Vladimir M. Novotortsev、Igor L. Eremenko、Iliya I. Moiseev、Yuri A. Ustynyuk

  DOI：10.1016/j.ica.2007.10.020

  日期：2008.5

  New polydentate open structure ligands H(3)L1 and H(3)L2 were synthesized by the condensation of 2,6-diformyl-4-tert-butylphenol and corresponding N-R-o-phenylenediamines (R = Ac and R = Boc). Treating of the ligands with copper trimethylacetate leads to binuclear copper complexes with dissimilar Cu(2)O(2) cores, the structures of which were solved by X-ray diffraction analysis. The electrochemical properties of both complexes were studied; the observed redox transitions were assigned to specific redox-active sites of the molecule. These assignments were confirmed by DFT calculations of the electronic structure of binuclear complexes. Both complexes exhibit anti-ferromagnetic behaviour, as confirmed by variable-temperature magnetic studies. (C) 2007 Elsevier B.V. All rights reserved.