[Mn(m-O3PCH2C6H4COOH)(1,10-phenanthroline)] | 1241946-86-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: [Mn(m-O3PCH2C6H4COOH)(1,10-phenanthroline)]
• 英文别名: [Mn(m-O3PCH2C6H4COOH)(phen)]
• CAS: 1241946-86-0
• 化学式: C₈H₇O₅P*C₁₂H₈N₂*Mn
• 分子量: 449.261
• InChiKey: KCORXGHICWFDGF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.58
• 重原子数：
  29.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  126.27
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 manganese(II) chloride tetrahydrate 、 3-carboxybenzylophosphonic acid 在 NaOH 、 NaF 作用下， 以 水 为溶剂， 以80%的产率得到[Mn(m-O3PCH2C6H4COOH)(1,10-phenanthroline)]
  参考文献：
  名称：

  Four divalent transition metal carboxyarylphosphonate compounds: Hydrothermal synthesis, structural chemistry and generalized 2D FTIR correlation spectroscopy studies

  摘要：

  Four divalent transition metal carboxyarylphosphonates, [Ni(4,4'-bipy)H2L1(HL1)(2)(H2O)(2)]center dot 2H(2)O 1, [Ni-2(4,4'-bipy)(L-2)(OH)(H2O)(2)]. 3H(2)O 2, Mn(phen)(2)(H2L1)(2) 3 and Mn(phen)(HL2) 4 (H3L1=p-H2O3PCH2-C6H4-COOH, H3L2=m-H2O3PCH2-C6H4-COOH, 4,4'-bipy=4,4'-bipyridine, phen=1,10-phenanthroline) were synthesized under hydrothermal conditions. 1 features 1D linear chains built from Ni(II) ions bridging 4,4'-bipy. In 2, neighboring Ni-4 cluster units are connected by pairs of H3L2 ligands to form 1D double-crankshaft chains, which are interconnected by pairs of 4,4'-bipy into 2D sheets. 3 exhibits 2D supramolecular layers via the R-2(2)(8) ringed hydrogen bonding units. 4 has 1D ladderlike chains, in which the 4-membered rings are cross-linked by the organic moieties of the H3L2 ligands. Additionally, 2D FTIR correlation analysis is applied with thermal and magnetic perturbation to clarify the structural changes of functional groups from H3L1 and H3L2 ligands in the compounds more efficiently. (C) 2010 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2010.04.037