[Cu(2-nitrobenzoato)2(3-pyridylmethanol)2(H2O)2] | 882532-31-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Cu(2-nitrobenzoato)2(3-pyridylmethanol)2(H2O)2]
• 英文别名: [Cu(2-NO2bz)2(3-pyme)2(H2O)2]
• CAS: 882532-31-2
• 化学式: C₂₆H₂₆CuN₄O₁₂
• 分子量: 650.058
• InChiKey: IVRSJFHZOQQNFU-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：

  3-吡啶甲醇 、 邻硝基苯甲酸 、 水 、 copper diacetate 以 水 为溶剂， 生成 [Cu(2-nitrobenzoato)2(3-pyridylmethanol)2(H2O)2]
  参考文献：
  名称：

  Synthesis, spectral and magnetical characterization of monomeric [Cu(2-NO2bz)2(3-pyme)2(H2O)2] and polymeric [Cu{3,5-(NO2)2bz}2(3-pyme)2]n

  摘要：

  Two new complexes of composition [Cu(2-NO(2)bz)(2)(3-pyme)(2)(H2O)(2)] (1) and/or [Cu{3,5-(NO2)(2)bz}(2)(3-pyme)(2)] (2) (3-pyme = 3-pyridylmethanol, ronicol or 3-pyridylcarbinol, 2-NO(2)bz = 2-nitrobenzoate and 3,5-(NO2)(2)bz = 3,5-dinitrobenzoate) have been prepared and studied by elemental analysis, electronic, infrared and EPR spectroscopy, magnetic susceptibility measurements and the structure of both complexes has been solved. Complex (1) shows an unusual molecular type of structure consisting of the [Cu(2-NO(2)bz)(2)(3-pyme)(2)(H2O)(2)] molecules held together by hydrogen bonds and van der Waals interactions. Complex (2) exhibits a polymeric chain-like structure [Cu{3,5-(NO2)(2)bz}(2)(3-pyme)(2)](n) with copper atoms doubly bridged by two 3-pyridylmethanol molecules and the polymeric molecules are held together by van der Waals interactions. Complex (1) exhibits a magnetic moment mu(eff) = 1.84 B.M. at 300 K that remains nearly constant within the temperature region (5-300 K). Further cooling results in lowering the magnetic moment to mu(eff) = 1.82 B.M. at 1.8 K. The magnetic susceptibility temperature dependence obeys Curie-Weiss law With Curie constant of 0.423 cm(3) K mol(-1) 1 and with Weiss constant of -0.06 K. The magnetic moment of (2) exhibits a small increase with a decrease in the temperature (mu(eff) = 1.80 B.M. at 300 K and mu(eff) = 1.85 B.M. at 1.8 K) with Curie constant of 0.409 cm(3) K mol(-1) and with Weiss constant of +1.1 K. which can indicate a very weak ferromagnetic interaction between the copper atoms within the chain. Applying the molecular field model resulted in obtaining zJ' values -0.08 cm(-1) for complex (1), and -0.07 cm(-1) for complex (2), respectively, that could characterize intermolecular and inter-chain interactions transmitted through pi-pi stacking. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.10.040