[Mn(2-(2,4-dichlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline)(isophthalic acid)₃]n | 1417415-47-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: [Mn(2-(2,4-dichlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline)(isophthalic acid)₃]n
• 英文别名: [Mn(dipt)(m-BDC)₃]n
• CAS: 1417415-47-4
• 化学式: C₈H₄O₄*C₁₉H₁₀Cl₂N₄*Mn
• 分子量: 584.277
• InChiKey: PUTKTKBZVVVEQP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.04
• 重原子数：
  38.0
• 可旋转键数：
  3.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  134.72
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  硫酸锰水合物 、 间苯二甲酸 、 1H-Imidazo[4,5-f][1,10]phenanthroline, 2-(2,4-dichlorophenyl)- 在 sodium hydroxide 作用下， 以 水 为溶剂， 以78%的产率得到[Mn(2-(2,4-dichlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline)(isophthalic acid)₃]n
  参考文献：
  名称：

  Syntheses, crystal structures, and photophysical properties of two 2-D coordination polymers

  摘要：

  Two coordination polymers, [Mn(dipt)(m-BDC)3] n (1) and [Pb(mip)(1,4-NDC)] n (2) [dipt?=?2-(2,4-dichlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, mip?=?2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, m-BDC?=?isophthalic acid, 1,4-NDC?=?naphthalene-1,4-dicarboxylic acid], have been synthesized by hydrothermal reactions and characterized by elemental analysis, thermogravimetric analysis, infrared spectrum, and single-crystal X-ray diffraction. Single-crystal X-ray diffraction reveals that 1 and 2 have 1-D chain architecture. Complex 1 has a 2-D-layered structure constructed from CH center dot center dot center dot O hydrogen bonds. Complex 2 has a 2-D-layered structure constructed from NH center dot center dot center dot O hydrogen bonds and pp interactions. TG analyses suggest 1 and 2 have excellent thermal stabilities from hydrogen bonds and pp interactions. Mn(II) in 1 has trigonal bipyramidal geometry surrounded by three carboxylate oxygen atoms from three monodentate bridging m-BDC and two nitrogen atoms from one dipt. Pb(II) has [:PbN2O4] pentagonal bipyramidal geometry in 2. The luminescent properties for dipt, mip, 1, and 2 are also presented.

  DOI：

  10.1080/00958972.2012.740022