Cu(Phen)(H₂O)₂SO₄ | 150207-18-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: Cu(Phen)(H₂O)₂SO₄
• 英文别名: [cis-Cu(1,10-phenanthroline)(H2O)2]SO4；[Cu(1,10-phenanthroline)(H2O)2]*SO4
• CAS: 150207-18-4；41666-38-0；91071-55-5；956243-27-9
• 化学式: C₁₂H₁₂CuN₂O₆S
• 分子量: 375.849
• InChiKey: SHSHBYCCWPRTHZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  水 、 1,10-菲罗啉 、 copper(ll) sulfate pentahydrate 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 72.0h， 以50%的产率得到Cu(Phen)(H₂O)₂SO₄
  参考文献：
  名称：

  Synthesis and Crystal Structure of a New Copper Complex: [Cu(Phen)(H2O)2SO4]

  摘要：

  合成了一种新型铜配合物 [Cu(Phen)(H2O)2SO4]，并通过红外光谱和单晶 X 射线分析对其进行了表征。晶体结构分析表明，Cu(II) 具有五坐标方锥几何结构。复合物通过氢键相互作用形成双分子链。此外，在相邻分子的两个平行的 1,10-菲罗啉环之间还观察到分子间的 p-p 相互作用。晶体为单斜晶系，空间群为 C2/c，单胞参数如下：a = 14.9269(15) Å，b = 13.8821(13) Å，c = 7.0490(8) Å， a = 90º， b = 108.6190(10)º, g = 90º, V = 1384.2(2) Å3, Z = 4, Mr = 375.84, Dc = 1.803 Mg/cm3, μ = 1.760 mm-1, F(000) = 764, T = 298(2) K, R = 0.0358, wR = 0.0875 for 1220 reflections with I > 2s(I).

  DOI：

  10.14233/ajchem.2013.14819

文献信息

• Two new supermolecular structures of organic–inorganic hybrid compounds: [Zn(phen)(SO4)(H2O)2]n and [Cu(phen)(H2O)2]·SO4 (phen=1,10-phenanthroline)
  作者：Xin Hu、Jixi Guo、Cong Liu、Han Zen、Yongjiang Wang、Weijun Du

  DOI：10.1016/j.ica.2009.03.011

  日期：2009.8

  Two new organic-inorganic hybrid compounds [Zn(phen)(SO4)(H2O)(2)](n) (1) and [Cu(phen)(H2O)(2)] center dot SO4 (2) have been prepared by conventional aqueous solution synthesis and characterized by single-crystal X-ray diffraction, IR spectroscopy, thermal gravimetric analysis (TGA) and fluorescent spectroscopy. In compound 1, the sulfate group adopts bidentate mode to coordinate with two Zn(II) ions to form one-dimensional polymer. The one-dimensional polymers are further linked together via the intermolecular hydrogen-bonding and pi-pi stacking interactions to form a 3D supramolecular framework. Compound 2 is build up of discrete [Cu(phen)(H2O](2+) cations and SO42 anions to form a three-dimensional framework via hydrogen-bonding and pi-pi stacking interactions. Furthermore, the luminescent properties of both 1 and 2 were studied. The complexes 1 and 2 excited at 280 nm wavelength produced characteristic luminescence features, arising maybe due to the pi-pi transitions. (C) 2009 Published by Elsevier B.V.
• Liu, Xing; Zhou, Jian; Hu, Feilong, Zeitschrift fur Naturforschung, B: Chemical Sciences, 2011, vol. 66, # 11, p. 1127 - 1130
  作者：Liu, Xing、Zhou, Jian、Hu, Feilong、Yuan, Weijin、Huang, Zhiwei

  DOI：——

  日期：——