dichlorocopper;1-[4-(1,4,7-triazonan-1-yl)but-2-ynyl]-1,4,7-triazonane | 693778-17-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: dichlorocopper;1-[4-(1,4,7-triazonan-1-yl)but-2-ynyl]-1,4,7-triazonane
• CAS: 693778-17-5
• 化学式: C₁₆H₃₂Cl₄Cu₂N₆
• 分子量: 577.374
• InChiKey: KEKPXZNSDOUAFY-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  0.73
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  54.6
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  copper(II) choride dihydrate 、 1-[4-(1,4,7-Triazonan-1-yl)but-2-ynyl]-1,4,7-triazonane 以 水 为溶剂， 生成 dichlorocopper;1-[4-(1,4,7-triazonan-1-yl)but-2-ynyl]-1,4,7-triazonane
  参考文献：
  名称：

  Studies of copper(II) and nickel(II) complexation by bis(1,4,7-triazacyclononane) ligands containing alkene and alkyne bridging groups

  摘要：

  The copper(II) and nickel(II) complexes of three new 1,2-bis(1,4,7-triazacyclononane) ligands containing unsaturated four carbon bridging groups is studied by continuous variation UV-Vis spectroscopic and pH potentiometric equilibrium experiments. The cis-butene-2 (L-C) linked ligand may form monomeric MN6-type complexes while the trans-butene-2 (L-T) and butyne-2 (L-Y) ligands are prevented by their stereochemistry from forming monomeric complexes and form oligomeric complexes. It is determined that the stability of the CuLC2+ complex is not appreciably different from the oligomeric complexes of L-T and L-Y. Single-crystal and X-ray structure determinations are made on three square pyramidal Cu2L4+ complexes: [CuLCCl4] (1), [Cu2LYCl4] (2)[Cu2LT(NO3)(2)(H2O)(2)](NO3)(2) (3). The structure of [Ni-2[L-C)(2)](ClO4)(4) (.) 2H(2)O (4) is a binuclear dimer that contains two nickel(II) ions sandwiched between two ligands, indicating that bis([9]aneN(3)) ligands with four linker atom chains may form either monomeric or oligomeric structures. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.09.041