| 1427630-19-0

• CAS: 1427630-19-0
• 化学式: C₃₂H₃₀Cl₃N₈OPr
• 分子量: 789.91
• InChiKey: AFFAMKYUWTUUGY-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  sym-bis(benzimidazole)-2,2'-ethylene hydrochloride 、 praseodymium(3+);chloride;hydrate 以 乙醇 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Spectroscopic, luminescence, electrochemical and antimicrobial studies of lanthanide complexes of bis-benzimidazole derived ligands

  摘要：

  The lanthanide complexes of [1,2-bis(benzimidazole-2-yl)ethane dihydrochloride], L-1.2HCl and [1,4-bis(benzimidazole-2-onium)butane dihydrochloride], L-2.2HCl having molecular formulae [Ln(L-1)(2)Cl3H2O] and [Ln(L-2)(2)Cl3H2O]center dot 2H(2)O (Ln = La3+, Pr3+, Nd3+ and Gd3+, respectively, were prepared and characterized through IR, H-1 and C-13 NMR, ESI-mass, UV-visible and luminescence spectroscopic techniques. TGA data suggested presence of the coordinated and the lattice water. The oscillator strengths of the f-f transitions and the covalency parameters (beta, b(1/2) and delta) have been evaluated from the electronic spectral data. The proposed octa coordinate geometry for the complexes has been ascertained from the molecular model computations. CV studies indicate formation of stable quasi-reversible redox couples Pe(III/IV), Nd-III/IV, and Gd-III/IV in solution. The in vitro antimicrobial activities of the complexes have been evaluated against gram +ve and gram -ve bacteria and fungi. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.12.062