dichloro[3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]copper(II) | 186336-77-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: dichloro[3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]copper(II)
• 英文别名: Cu(3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane)Cl2；dichlorocopper;2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol
• CAS: 186336-77-6；181041-02-1
• 化学式: C₁₂H₃₀Cl₂CuN₆O₂
• 分子量: 424.861
• InChiKey: JSIOUGISEMEYGX-UHFFFAOYSA-L

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：

  dichloro[3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]copper(II) 、 均苯四甲酸 在 pyridine 作用下， 以 甲醇 、 水 为溶剂， 生成 Cu(3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane)(1,2,4,5-benzenetetracarboxylic acid(2-))
  参考文献：
  名称：

  Monomeric and polymeric copper(II) hexaaza macrocyclic complexes with btc anions (btc=1,2,4,5-benzenetetracarboxylic acid)

  摘要：

  Two new copper(II) complexes with the composition [Cu(L)(btc(-))(2)] (1) and [Cu(L)(btc(2-))](n) (2), where btc = 1,2,4,5-benzenetetracarboxylic acid, L=3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane, have been synthesized and structurally characterized by a combination of analytical, spectroscopic, and crystallographic methods. The structure of 1 is made up of a macrocyclic copper(II) cation [Cu(L)](2+) and btc(-) anions. The copper(II) coordination geometry in 1 exhibits an axially elongated octahedron with four nitrogen atoms from the macrocycle and two carbonyl oxygen atoms from the btc(-) ligands. The structure of 2 shows a 1D coordination polymer, in which the copper(II) ions are bridged by the btc(2-) anions. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01149-0

文献信息

• Magnetic and optical characterization of one-dimensional isostructural σ-bonded tetracyanoquinodimethanido complexes of nickel(<scp>II</scp>) and copper(<scp>II</scp>)
  作者：M. Teresa Azcondo、Loreto Ballester、Angel Gutiérrez、M. Felisa Perpiñán、Ulises Amador、Caridad Ruiz-Valero、Carlo Bellitto

  DOI：10.1039/dt9960003015

  日期：——

  The complex [CuL(tcnq)2][L = 3,10-bis(2-hydroxyethyl-1,3,5,8,10,12-hexaazacyclotetradecane); tcnq = 7,7,8,8-tetracyanoquinodimethane] has been prepared and crystallographically characterized. Its structure consists of linear chains of alternating copper–macrocycle and tetracyanoquinodimethanide dimers σ bonded to the copper atoms through a nitrile group. The compound is an insulator. The magnetic properties

  配合物[CuL（tcnq）2 ] [L = 3,10-双（2-羟乙基-1,3,5,8,10,12-六氮杂环十四烷）; [tcnq ＝ 7,7,8,8-四氰基喹二甲烷]已经制备并通过晶体学表征。它的结构由交替的铜-大环和四氰基喹二甲烷二聚体σ通过腈基键合到铜原子上的线性链组成。该化合物是绝缘体。铜和相应的镍化合物的磁性都是八面体对称过渡金属离子和（tcnq）2 2–的贡献之和。二聚体。磁数据由一个模型拟合，该模型考虑了阳离子的独立居里自旋和二聚化阴离子的热活化三重态的贡献。即使在低温下，也未观察到金属离子与tcnq之间的磁性相互作用。