| 1613297-07-6

• CAS: 1613297-07-6
• 化学式: C₂₀H₂₄ClCuN₂NaO₉
• 分子量: 558.407
• InChiKey: BIPVFLCQQPJMKG-WVAQYUJYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  甲醇 、 copper(II) perchlorate hexahydrate 、 N,N'-bis(3-methoxysalicylidene)-1,3-propanediamine 、 sodium perchlorate 以 水 为溶剂， 反应 240.5h， 以71%的产率得到
  参考文献：
  名称：

  Doubly phenoxo-bridged M–Na (M=Cu(II), Ni(II)) complexes of tetradentate Schiff base: Structure, photoluminescence, EPR, electrochemical studies and DFT computation

  摘要：

  Phenoxo-bridged complexes [M(mu-L)Na(ClO4)(CH3OH)] (M = Cu(II) (1) and Ni(II) (2)) (H2L = N,N'-bis(3-methoxysalicylidenimino)-1,3-diaminopropane, C6H3(OMe)(OH)-CH = N-(CH2)(3)-N = CH-C6H3(OMe)(OH)) are structurally characterised by single-crystal X-ray diffraction study. M(II) appears in the square-plane geometry with MN2O2 coordination sphere, while the sodium ion exists with NaO6 distorted octahedral environment. The molecules pack in the solid-state forming three-dimensional arrays through C-H---O, O-H---O, C-H---pi, and pi---pi interactions. The spectral and redox properties are theoretically explained by DFT computation of optimised geometry of the complexes. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.04.032