[EtIn(2-mercapto-N-salicylideneaniline(-2H))]2 | 1374839-77-6

• 英文名称: [EtIn(2-mercapto-N-salicylideneaniline(-2H))]2
• CAS: 1374839-77-6
• 化学式: C₃₀H₂₈In₂N₂O₂S₂
• 分子量: 742.337
• InChiKey: UOFVTICWYIRWNB-YLBLBHPFSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
  None
• 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：

  triethylindium diethyl etherate 、 2-(亚水杨基氨基)硫代苯酚 以 苯 为溶剂， 以96%的产率得到[EtIn(2-mercapto-N-salicylideneaniline(-2H))]2
  参考文献：
  名称：

  Synthesis, Characterization, Photoluminescence, and Computational Studies of Monoorgano-Gallium and -Indium Complexes Containing Dianionic Tridentate ONE (E = O or S) Schiff Bases

  摘要：

  The reactions of triorgano-gallium and -indium etherate with dianionic tridentate Schiff bases (2-hydroxy-N-salicylideneaniline (1a), 2-hydroxy-N-(2-hydroxy-3-methoxybenzylidene)aniline (1b), and 2-mercapto-N-salicylideneaniline (1c)) in benzene yielded complexes of the type [RM{O(2-C6H3R'-3)-CH=N(2-C6H4)E}] (where R = Me, Et; M = Ga, In; R' = H, OMe; E = O, S) in nearly quantitative yields. These complexes have been characterized by elemental analysis, IR, UV-vis, and NMR (H-1 and C-13{H-1}) spectroscopy. The molecular structures of [MeGa(-O(2-C6H4)-CH=N(2-C6H4)center dot O-)] (2a) and [MeGa(-O(2-C6H3OMe-3)center dot CH=N(2-C6H4)-O-)] (2b) were established by X-ray crystallography. Photoluminescence data of these complexes showed that the quantum yield was mainly affected by the substituent/groups attached to the phenyl moiety of the ligands rather than the metal atom. Density functional theory calculations have been used to assess all the possible structures and to evaluate the complexation energies corresponding to NeM{O(2-C6H4)-CH=N(2-C6H4)E}] (M = Ga, In; E = O, S) complexes.

  DOI：

  10.1021/om201030d