[Cu2(di-2-pyridylamine)4(μ-CO3)2](H2O) | 402502-97-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Cu2(di-2-pyridylamine)4(μ-CO3)2](H2O)
• 英文别名: dicopper;N-pyridin-2-ylpyridin-2-amine;dicarbonate;hydrate
• CAS: 402502-97-0
• 化学式: C₂₂H₁₈Cu₂N₆O₆*H₂O
• 分子量: 607.529
• InChiKey: RYCUCPDROMKEIB-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -1.28
• 重原子数：
  37
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  203
• 氢给体数：
  3
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  2,2'-二吡啶胺 、 copper(I) thiocyanate 、 sodium carbonate 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 以72%的产率得到[Cu2(di-2-pyridylamine)4(μ-CO3)2](H2O)
  参考文献：
  名称：

  Synthesis, structure, spectroscopy, and magnetism of two new dinuclear carbonato-bridged Cu(II) complexes

  摘要：

  Two new dinuclear mu -CO32- Cu(II) complexes with different coordination modes for the carbonato bridge have been obtained by fixation of atmospheric CO2 and also directly prepared from the carbonate salt. The compounds comprise: [Cu-2(mu -CO3)(dpyam)(4)](ClO4)(2)(H2O)(4) (1), and [Cu-2(mu -CO3)(2)(dpyam)(2)](H2O) (2), (in which dpyam = di-2-pyridylamine). For 1, the carbonate ligand acts as a bridge between two Cu(II) centres showing an anti-anti (mu-eta (1)-eta (1)-CO32-) coordination mode with a distorted square-based pyramidal geometry for each Cu(II) environment. Complex 2 involves the di-mu -CO32- bridge with a novel tridentate mu-eta (1)-eta (2)-CO32- coordination mode. The geometry around each copper atom is distorted square-based pyramidal. Susceptibility measurements for both complexes show a weak to moderately strong antiferromagnetic coupling with J values of -90.4 and -9.9 cm (-1) for 1 and 2, respectively. The tridentate co-ordination mode of the carbonate bridge in 2 has not previously been reported for dinuclear Cu(II) complexes. Also its magnetic behaviour and superexchange pathway are discussed. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00610-7