| 155144-91-5

• CAS: 155144-91-5
• 化学式: C₃₂H₃₄Mn₃N₈O₁₄
• 分子量: 919.481
• InChiKey: PBCRFRLMOSHBMR-DCDFDXKGSA-H

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：

  2-((2-(1H-imidazol-4-yl)ethylimino)methyl)-4-nitrophenol 、 sodium acetate 、 manganese (II) acetate tetrahydrate 以 甲醇 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  Structural and Magnetic Studies of Manganese(II) Complexes of the Imidazole-Containing Ligand 5-NO2-salimH [5-NO2-salimH2 = 4-(2-((5-nitrosalicylidene)amino)ethyl)imidazole] with Varying Nuclearity

  摘要：

  Manganese(II) forms structurally diverse complexes of varying nuclearity with the imidazole-containing Schiff base ligand 5-NO2-salimH(2) [5-NO2-salimH(2) 4-(2-((5-nitrosalicylidene)amino)ethyl)imidazole]. The type of complex formed is determined by the type and stoichiometry of carboxylate added to the reaction mixture. The structures of the complexes Mn(5-NO2-salimH)2, 1, and [Mn(5-NO2-salimH)(mu-HCO2)(CH3OH)](n), 2, have been characterized by X-ray crystallography and are compared to the structure of the linear trinuclear Mn(II) complex Mn-3(5-NO2-salimH)(2)(mu u-CH3CO2)(4), 3, which we reported previously [Baldwin, M. J.; Kampf, J. W.; Pecoraro, V. L. J. Chem. Sec., Chem. Commun. 1993, 1741-1743]. Complex 1 is a mononuclear complex with two meridionally bound ligands. It was crystallized in the orthorhombic space group P2(1)2(1)2(1), with Z = 8, R = 0.0605, and R(w) 0.0590. The unit cell parameters are a 17.170(4) Angstrom, b = 17.811(4) Angstrom, c 18.305(4) Angstrom, and alpha = beta = gamma = 90.000 degrees. Complex 2 is a polymeric chain with equatorial-to-axial formate bridges in the anti-anti configuration, a meridionally bound 5-NO2-salimH in the other equatorial positions, and a methanol ligating in the other axial position. It was crystallized in the orthorhombic space group Pcab (the alternative setting to Pbca), with Z = 8, R = 0.0404, and R(w) = 0.0433. The unit cell parameters are a = 8.070(2) Angstrom, b = 11.895(3) Angstrom, c 34.29(1) Angstrom and alpha = beta = gamma = 90.000 degrees. Complex 3 is a linear trimer with 5-NO2-salimH bound meridionally to each terminal Mn and three bridges from each terminal Mn to the central Mn consisting of the phenolate oxygen of the tridentate ligand, a triatomically bridging acetate, and a monatomically bridging acetate producing a unique (mu-phenolato)(mu-carboxylato-O)(mu-carboxylato-O,O') bridging set which may be of relevance to the carboxylate shift concept. Comparison of the manganese-imidazole bond lengths in these complexes to those of the few 6-coordinate Mn(II)imidazole complexes in the literature provides a range of ''normal'' Mn(II)-imidazole distances for comparison to structurally characterized biological systems and indicates that complexes in which there are multiple bridges to other manganese ions tend to have shorter Mn-N(imidazole) bonds than mononuclear complexes. The variable temperature and variable field magnetic behavior of 2 and 3 were also studied. 2 displays an intrachain exchange interaction J = -0.25 cm(-1). The magnetic behavior of 3 is well modeled with an exchange interaction of J = -1.7 cm(-1) between each terminal manganese and the central manganese, with no coupling between the two terminal manganese ions. The zero-field splitting parameter for 3 is measured from the 4.8 K EPR spectrum as \D\ = 0.19 cm(-1) for the trimeric unit.

  DOI：

  10.1021/ic00125a026