[(μ-3-carbonato)tris(perchlorato(methyl[2-(2-pyridyl)ethyl](2-pyridylmethyl)amine)copper(I))] perchlorate | 855762-55-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(μ-3-carbonato)tris(perchlorato(methyl[2-(2-pyridyl)ethyl](2-pyridylmethyl)amine)copper(I))] perchlorate
• CAS: 855762-55-9
• 化学式: C₄₃H₅₁Cl₃Cu₃N₉O₁₅*ClO₄
• 分子量: 1330.38
• InChiKey: SIYMQYAZJHLMJI-UHFFFAOYSA-H

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：

  copper(II) perchlorate hexahydrate 、 potassium carbonate 、 [(2-pyridyl)-2-ethyl]-(2-pyridylmethyl)-N-methylamine 以 甲醇 、 水 为溶剂， 以66%的产率得到[(μ-3-carbonato)tris(perchlorato(methyl[2-(2-pyridyl)ethyl](2-pyridylmethyl)amine)copper(I))] perchlorate
  参考文献：
  名称：

  A new (μ3-carbonato)tricopper(II) complex with symmetry related equilateral triangular array of metal centers; structure and magnetism

  摘要：

  Using an unsymmetrical N-tridentate (2-pyridyl)alkylamine ligand methyl[2-(2-pyridyl)ethyl](2-pyridylmethyl)amine (mpepma), a new tricopper(II) complex [{(mpepma)Cu(OClO3)}(3)(mu(3)-OCO2)][ClO4] (1), having triply bridging mu(3)-carbonate group, with three symmetry related triangular array of copper(II) centers has been synthesized. In 1, each copper ion is five-coordinate (almost perfect square pyramidal) by three nitrogens from the ligand (two pyridyl and an amine) and an oxygen atom of the carbonate group in the equatorial plane and by an oxygen atom of the perchlorate ion in the apical position. Magnetic susceptibility data (2-300 K) were fitted using the Hamiltonian: H = g mu H-B(S-1 + S-2 + S-3) - J(S1S2 + S1S3 + S2S3), which corresponds to a triangular array of spins, corrected with a zJ(t) intertrimer interaction or zero-field splitting within the ground state, to fit low temperature data. It is concluded that the copper(IT) ions in 1 are ferromagnetically coupled. The best parameters obtained are g = 2.11, J = 18 +/- 1 cm(-1), zJ(t) = -0.36 +/- 0.02 cm(-1) or D = 0.50 +/- 0.05 cm(-1). (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.03.044