| 400724-84-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• CAS: 400724-84-7
• 化学式: C₁₆H₁₈CuN₄O₆*H₂O
• 分子量: 443.903
• InChiKey: REUWHUYNLMGGAI-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

• 作为产物：
  描述：

  copper(II) choride dihydrate 、 2,2′-(2,9-dioxo-1,2,3,5,6,8,9,10-octahydrobenzo-[b][1,4,7,10]tetra-azacyclododecine-4,7-diyl)diacetic acid 在 Li₂CO₃ 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Metal–ligand interactions in benzodioxotetraaza-macrocyclic metal chelates

  摘要：

  Reactions of ethylenediaminetetraacetic (edta) dianhydride with o-phenylenediamine (od) and 9,10-diaminophenanthrene (phn) gave (edtaod)H-2 and (edtaphn)H-2, respectively, in which a chelating edta unit and an aromatic diamine unit are linked by two amide bonds. The complexation of these new 12-membered macrocycles with transition metal ions was studied by X-ray crystallography, potentiometric titrations, UV-Vis absorption spectroscopy and fluorescence spectroscopy. The absorption spectra are sensitively changed by metal complexation. The spectral changes are the most significant for the Cu2+ complexes, and are well correlated with the species distribution diagram. The X-ray study of the Cu2+ complex, [Cu(edtaod)](o), has shown that a square plane is formed around the central metal ion by an amide oxygen atom, a carboxylate oxygen atom and an amino nitrogen atom from a ligand molecule and a carboxylate oxygen atom from the adjacent chelate molecule. The amide nitrogen atoms in [Cu(edtaod)](o) are readily deprotonated and result in the formation of [Cu(edtaodH(-1))](-) and [Cu(edtaodH(-2))](2-) in neutral and basic media. The coordination of deprotonated amide nitrogen atoms to a Cu2+ ion leads to a strong metal-ligand interaction, which causes an intense charge-transfer band in [Cu(edtaodH(-1))](-), new UV absorption bands in [Cu(edtaodH(-2))](2-) and the effective quenching of emission in the Cu2+ complex of (edtaphn)H-2. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00536-9