[N,N'-bis(2-thiobenzylidene)-1,2-phenylenediaminato]nickel(II) | 200396-05-0

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: [N,N'-bis(2-thiobenzylidene)-1,2-phenylenediaminato]nickel(II)
• 英文别名: (2,2'-[1,2-phenylenebis(nitrilomethylidene)]diphenolato-S,N,N',S')nickel(II)
• CAS: 200396-05-0
• 化学式: C₂₀H₁₄N₂NiS₂
• 分子量: 405.167
• InChiKey: NKOJWWBKTOTKAF-JKBLJYNNSA-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：

  邻苯二胺 、 nickel(II) tetrafluoroborate hexahydrate 、 2-(叔-丁基硫代)苯甲醛 在 CaSO₄ 作用下， 以 乙醇 、 甲苯 为溶剂， 以45%的产率得到[N,N'-bis(2-thiobenzylidene)-1,2-phenylenediaminato]nickel(II)
  参考文献：
  名称：

  [N,N'-Bis(2-thiobenzylidene)-1,2-phenylenediaminato]nickel(II)

  摘要：

  The title compound, [Ni(C20H14N2S2)], was formed from a Schiff base reaction of 2-tert-butylthiobenzaldehyde with 1,2-phenylenediamine, followed by reaction with Ni(BF4)(2).6H(2)O. The square-planar NiN2S2 complex has Ni-N distances of 1.8992(17) and 1.9014(15)Angstrom, and Ni C distances of 2.1519(6) and 2.1587 (6) Angstrom. Molecules pack in layers with a tilt angle of 46.09(1)degrees; the (001) packing plane is arranged so that the molecules in superimposed layers stack approximately perpendicular to each ether.

  DOI：

  10.1107/s0108270197009232

文献信息

• Synthesis, characterization and supramolecular building motifs of substituted salphen- and thiasalphen–metal complexes
  作者：Nitesh Kumar、Ashish K. Asatkar、Snigdha Panda、Sanjio S. Zade

  DOI：10.1016/j.poly.2016.06.050

  日期：2016.10

  Two new series of substituted salphen-metal complexes and thiasalphen-metal complexes have been synthesized. The fluorine substituted salphen-metal complexes (5, 6 and 7) were prepared by the coordination of ligand 4 (obtained by the reaction of 4,5-difluorosalicylaldehyde with, o-phenylenediamine) with Ni(II), Cu(II) and Zn(II) ions, respectively. The thiasalphen-metal complexes (8, 9 and 10) were prepared strategically following the unique route of the in situ reduction of bis(o-formylphenyl)disulfide to mercaptobenzaldehyde then complexation with Ni(II), Cu(II) and Zn(II) ions, followed by Schiff base coupling with o-phenylenediamine, in a single pot. The products were characterized by elemental analysis, ESI-MS, FT-IR and H-1/C-13 NMR spectroscopy. The structures of 4, 5, 6, 9 and 10 were established by single crystal X-ray analysis. The various non-bonding interactions resulted in fascinating supramolecular building motifs. The photophysical and electrochemical properties (band gaps, HOMO-LUMO energies) of all the six complexes were studied by UV-Vis spectroscopy and cyclic voltammetry. The optical band gaps were found to be in the range 2.31-2.79 eV. (C) 2016 Elsevier Ltd. All rights reserved.