[Mn(2,6-di(5-methyl-1H-pyrazol-3-yl)pyridine)(adipate)]*(adipic acid) | 1612263-78-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Mn(2,6-di(5-methyl-1H-pyrazol-3-yl)pyridine)(adipate)]*(adipic acid)
• CAS: 1612263-78-1
• 化学式: C₆H₈O₄*C₆H₁₀O₄*C₁₃H₁₃N₅*Mn
• 分子量: 584.488
• InChiKey: FMBXPMQDMYAXAV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.24
• 重原子数：
  39.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  225.11
• 氢给体数：
  4.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine 、 己二酸 、 manganese (II) acetate tetrahydrate 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 以76%的产率得到[Mn(2,6-di(5-methyl-1H-pyrazol-3-yl)pyridine)(adipate)]*(adipic acid)
  参考文献：
  名称：

  Experimental, characteristic evidence and surface photovoltage properties of a series of Cu/Mn complexes with bipyrazolyl-pyridine and different spanning dicarboxylate

  摘要：

  By introduction of different spanning flexible dicarboxylate as auxiliary ligands, novel complexes with N-heterocyclic ligand, [Cu(H2L)(ox)]center dot 2H(2)O (1), [Cu-2(HL)(2)(Hglu)]center dot 2CH(3)OH center dot H2O (2), and [Mn(H2L)(ad)]center dot H(2)ad (3) (H2L = 2,6-di-(5-methyl-1H-pyrazol-3-yl)pyridine, ox = oxalic acid, glu = glutaric acid, ad = adipic acid) are synthesized with hydrothermal method. Structural analysis reveals that the coordination modes of metal center in these complexes are various, in complexes 1 and 2, Cu(II) atom is five-coordinated to form a distorted square pyramid geometry. While in complex 3, Mn(II) atom is six-coordination mode, forming a distorted octahedron. In complexes 1-3, the N-heterocyclic ligand is coordinated with one or two metal centers. While in complexes 2 and 3, two metal centers are connected by bridging coordination fashions of flexible dicarboxylate and N-heterocyclic ligands, which are different from those in complex 1. In addition, the surface electron behaviors of complexes 1 and 3 have also been studied. The results show that the surface photovoltage (SPV) response signals increase when the positive electric field enhances in the range of 300-800 nm. This result reveals that these complexes have the potential characterization of being able to trap photogenerated electron or hole, enhancing the separation extent and restrain the recombination of the photogenerated electron and hole. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2014.03.030