[bis(N-1,2-diphenylethyl-salicydenaminato-κ2N,O)copper(II)] | 41659-44-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: [bis(N-1,2-diphenylethyl-salicydenaminato-κ2N,O)copper(II)]
• CAS: 41659-44-3
• 化学式: C₄₂H₃₆CuN₂O₂
• 分子量: 664.306
• InChiKey: ZXXHGKGYOKUGMM-YUSFQJCXSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  1,2-二苯基乙胺 、 copper diacetate 、 水杨醛 以 乙醇 为溶剂， 生成 [bis(N-1,2-diphenylethyl-salicydenaminato-κ2N,O)copper(II)]
  参考文献：
  名称：

  Synthesis and crystal structures of the flexible Schiff base complex bis(N-1,2-diphenylethyl-salicydenaminato-κ2N,O)copper(II) (methanol): A rare case of solvent-induced distortion

  摘要：

  A new mononuclear copper(II) complex incorporating a bulky Schiff base ligand, bis(N-1,2-diphenylethyl-salicydenaminato-kappa N-2,O)copper(II) (green form) and its co-crystal containing methanol solvent molecules (brown form) have been synthesized and characterized by X-ray crystallography, XRD, IR and diffuse reflectance spectra in the solid state. This is a rare case in that both solvent free and containing crystals can be isolated and characterized. Both forms adopt a compressed tetrahedral trans-[CuN2O2] coordination geometry with coordination bond angles of trans-N-Cu-N = 157.0(4)degrees and trans-O-Cu-O = 151.1(3)degrees for the brown form and trans-Cu-N = 141.3(3)degrees and trans-O-Cu-O = 139.9(2)degrees for the green form. The methanol solvent molecules force the complex of the brown form to adopt a more planar coordination environment in the solid state. Semi-empirical calculations (ZINDO) revealed the magnitude of the dipole moment of both molecules and that the energy of the green form is 5.7 U mol(-1) higher than that of the brown form. In addition, absorption spectra in various organic solvents were measured and a relationship between absorption spectra and polarity of the solvents is discussed. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.07.048