[(1,10-phenanthroline)Zn(1,2-ditiooxalate)] | 1228273-95-7

• 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: [(1,10-phenanthroline)Zn(1,2-ditiooxalate)]
• CAS: 1228273-95-7
• 化学式: C₁₄H₈N₂O₂S₂Zn
• 分子量: 365.752
• InChiKey: BVHQWUULLUXUOZ-UHFFFAOYSA-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：

  1,10-菲罗啉 以 乙醇 、 水 为溶剂， 生成 [(1,10-phenanthroline)Zn(1,2-ditiooxalate)]
  参考文献：
  名称：

  1,10-Phenanthroline-dithiolate mixed ligand transition metal complexes. Synthesis, characterization and EPR spectroscopy

  摘要：

  A series of new N(2)S(2) mixed ligand transition metal complexes, where N(2) is phenanthroline and S(2) is 1,2-dithiooxalate (dto) or 1,2-dithiosquarate (dtsq), has been synthesized and characterized. IR spectra reveal that the 1,2-dithiolate ligands are coordinated via the sulfur atoms forming a N(2)S(2) coordination sphere. The copper(II) complex [Cu(phen)(dto)] was studied by EPR spectroscopy as a diamagnetically diluted powder. The diamagnetic dilution resulted from doping of the copper complex into the isostructural host lattice of the nickel complex [Ni(phen)(dto)]. The electronic situation in the frontier orbitals of the copper complex calculated from the experimental data is compared to the results of EHT and DFT calculations. Furthermore, one side product, chlorobis(1,10-phenanthroline)copper(I) ethanol solvate hydrate [(phen)(2)CuCl]center dot C(2)H(5)OH center dot H(2)O, was formed by a reduction process and characterized by X-ray diffraction. In the crystal packing one-dimensional columns of dimers are formed, stabilized by significant pi-pi interactions. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.01.021