| 169617-90-7

• CAS: 169617-90-7
• 化学式: C₃₄H₅₀Br₄Cu₄N₄O₃
• 分子量: 1136.6
• InChiKey: IYPPSAACLMSQSS-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  4-methyl-2,6-bis-(pyrrolidinomethyl)phenol 、 copper(ll) bromide 在 NaOH 、 water 作用下， 以 甲醇 、 水 为溶剂， 以27%的产率得到
  参考文献：
  名称：

  Structure and magnetism of novel tetranuclear µ₄-oxo-bridged copper(II) complexes

  摘要：

  Reaction of CuCl2 . 2H(2)O or CuBr2 with the tridentate ligand 4-methyl-2,6-bis(pyrrolidin-1-yl-methyl)phenol (Hmbpp) in methanol yielded two copper(II) complexes [Cu4OCl4(mbpp)(2)]. 2MeOH 1 and [Cu4OBr4(mbpp)(2)] 2. They were characterised by single-crystal X-ray diffraction analyses. Both structures were solved using direct methods and refined on F-2 by full-matrixleast squares. They consist of a tetrahedron of copper atoms centred by a mu(4)-bridging oxygen atom. Magnetic susceptibility measurements in the temperature range 7.0-487.3 K indicated significant antiferromagnetic coupling between the copper(ii) centres of both complexes. The experimental data were fitted to a modified Heisenberg model by analysing the tetranuclear complexes as two dinuclear Cu2O2 subunits. The best least-squares fit parameters were g = 2.12(2). J(12) = -275(1) cm(-1). J(13) = -27.8(5) cm(-1) and x(p) = 1.0(1)% paramagnetic impurity for 1 and g = 2.10(2), J(12) = -261(1) cm(-1), J(13) = -21.6(5) cm(-1) and x(p) = 1.2(1)% for 2. By comparison to similar mu(4)-oxo-bridged copper (II) complexes, a linear relationship between the magnetic intradimer coupling constant and the mean Cu-O-Cu angle is obtained.

  DOI：

  10.1039/dt9950002649