| 111276-91-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 111276-91-6
• 化学式: C₁₄H₃₂CuN₆
• 分子量: 347.994
• InChiKey: NYJBHLBBEWFPLL-VXYXUAIMSA-N

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：

  在 H⁽¹⁺⁾ 作用下， 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Copper(II) Complexes of Substituted Macrobicyclic Hexaamines: Combined Trigonal and Tetragonal Distortions

  摘要：

  The hexaamine complexes [M{(NH3)(2)sar}](4+) and [M{(NMe(3))(2)sar}](4+) (M = Cu(II), Zn(II); sar = 3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane) have been synthesized and characterized both spectroscopically and structurally. X-ray crystal structural analyses of [Cu{(NH3)(2)sar}](NO3)(4) . H2O (monoclinic,P2(1), a 12.311(3) Angstrom, b 12.338(4) Angstrom, c 8.574(3) Angstrom, beta 93.91(3)degrees, Z = 2), [Zn{(NH3)(2)sar}](NO3)(4) . H2O (monoclinic, P2(1), a 12.365(4) Angstrom, b 12.396(7) Angstrom, c 8.587(4) Angstrom, beta 94.13(3)degrees, Z = 2), [Cu{(NMe(3))(2)sar}](ClO4)(4) (hexagonal , a 8.689(2) Angstrom, c 27.927(2) Angstrom, Z = 2), and [Zn{(NMe(3))(2)sar}](ClO4)(4) (hexagonal, , a 8.669(5) Angstrom, c 27.998(5) Angstrom, Z = 2) are reported. Visible-near-infrared absorption, circular dichroism, magnetic circular dichroism, and electron paramagnetic resonance spectroscopic studies reveal distorted CuN6 chromophores. Trigonal distortions arise from steric requirements of the ligands, whereas tetragonal distortions result from Jahn-Teller coupling in the Cu(II) complexes. X-ray crystallographic studies of these copper(II) complexes revealed partially averaged ([CU{(NH3)(2)sar}](4+)) and completely averaged ([Cu{(NMe(3))(2)sar}](4+)) geometries as a result of both static disorder and dynamic processes throughout each lattice. Partial resolution of [Cu{(NMe(3))(2)sar}](4+) into its enantiomeric forms was achieved to give the first stable chiral molecule where Cu(II) is the stereogenic atom. In the absence of Jahn-Teller coupling characteristic of their Cu(II) relatives, the analogous Zn(IT) complexes exhibited high-symmetry structures both in solution and in the solid state.

  DOI：

  10.1021/ic00118a005

文献信息

• Sargeson, Alan M., Pure and Applied Chemistry, 1986, vol. 58, p. 1511 - 1522
  作者：Sargeson, Alan M.

  DOI：——

  日期：——