[Mn(bpe)(bba)] | 1374991-57-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Mn(bpe)(bba)]
• 英文别名: [manganese(II)(1,2-bis(4-pyridyl)ethane)(isophthalate)]
• CAS: 1374991-57-7
• 化学式: C₈H₄O₄*C₁₂H₁₂N₂*Mn
• 分子量: 403.296
• InChiKey: PCIOAKVBLFKRPV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.67
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  106.04
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1,2-双(4-吡啶基)乙烷 、 manganese(II) perchlorate hexahydrate 、 间苯二甲酸 以 水 为溶剂， 以55%的产率得到[Mn(bpe)(bba)]
  参考文献：
  名称：

  Ferro/antiferromagnetic interactions transmitted by double bridged carboxylate groups in 2D mixed-ligand transition metal coordination polymers

  摘要：

  Three 2D coordination polymers with mixed ligands [M(bpe)(bba)](n) (M = Mn for 1, Co for 2 and Ni for 3, bpe = 1,2-bis(4-pyridyl) ethane, H(2)bba = isophthalic acid) have been synthesized and characterized by single crystal X-ray diffraction, PXRD, TGA and magnetic susceptibility measurements. The central metal ions of each have a distorted octahedral geometry and are bridged by mu(2)-eta(1):eta(1) carboxylate groups to form binuclear units with metal-metal separations of 4.318 angstrom (1), 4.463 angstrom (2) and 4.551 angstrom (3), respectively. The binuclear units are linked by bba(2-) to form 1D ribbons, which are further assembled through bpe ligands into a 2D grid structure. TGA analysis reveals that 1, 2, and 3 exhibit high thermal stability. The magnetic properties of 1, 2 and 3 were studied in the temperature range of 2-300 K. Analysis of the magnetic data reveals antiferromagnetic interactions in 1 as well as interesting ferromagnetic interactions in 2 and 3 between the anti-syn double carboxylate groups bridging metal ions. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.01.019