Mn(H2O)(N,N'-ethylenebis(1-hydroxy-2-acetonaphthylideneiminato))Cl | 1227358-83-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: Mn(H2O)(N,N'-ethylenebis(1-hydroxy-2-acetonaphthylideneiminato))Cl
• 英文别名: Mn(H2O)(2-acnapen)Cl
• CAS: 1227358-83-9
• 化学式: C₂₆H₂₄MnN₂O₃*Cl
• 分子量: 502.879
• InChiKey: SBIPXEQKINPSGS-WBZRDVTOSA-K

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

• 作为反应物：
  描述：

  Mn(H2O)(N,N'-ethylenebis(1-hydroxy-2-acetonaphthylideneiminato))Cl 、 [Fe^III(tris(pyrazolyl)borate)(CN)₃]PPh₄ 以 甲醇 、 水 、 乙腈 为溶剂， 以40%的产率得到Fe(CN)3(hydrotris(pyrazolyl)borato)Mn(N,N'-ethylenebis(1-hydroxy-2-acetonaphthylideneiminato))*H2O
  参考文献：
  名称：

  Cyanide-Bridged Fe(III)−Mn(III) Bimetallic Systems Assembled from the fac-Fe Tricyanide and Mn Schiff bases: Structures, Magnetic Properties, and Density Functional Theory Calculations

  摘要：

  Reaction of [(Tp)Fe(CN)(3)](-) [Tp = hydrotris(pyrazolyl)borate] with respective Mn(III) Schiff bases led to the formation of four dimeric molecules, [Tp)Fe(CN)(3)][Mn(1-napen)(H2O)] center dot MeCN center dot 4H(2)O [1; 1-napen = N,N-ethylenebis(2-hydroxy-1-naphthylideneiminato) dianion], [(Tp)Fe(CN)(3)][Mn(5-Clsalen)(H2O)] [2; 5-Clsalcy = N,N'-(trans-1,2-cyclohexanediylethylene)bis(5-chlorosalicylideneiminato) dianion], [(Tp)Fe(CN)(3)][Mn(2-acnapen)(MeOH)] center dot MeOH [3; 2-acnapen = N,N'-ethylenebis(1-hydroxy-2-acetonaphthylideneiminato) dianion], [(Tp)Fe(CN)(3)][Mn(3-MeOsalen)(H2O)] [4; 3-MeOsalen = N,N'-ethylenebis(3-methoxysalicylideneiminato) dianion], and a one-dimensional (1D) zigzag chain [(Tp)Fe(CN)3][Mn(2-acnapen)] center dot H2O (5). The dimers contain multiple intermolecular interactions such as hydrogen bonds, face-to-face pi-pi contacts, and edge-to-face CH-pi forces, raising molecular dimensions from one-dimensional (1D) up to three-dimensional (3D) arrays, whereas there are no pi-pi stacking interactions in the 1D chain compound. Magnetic measurements reveal that ferromagnetic couplings are obviously operative between Mn(III) and Fe(III) spin centers transmitted by ON bridges for 1-3 and 5, and antiferromagnetic interactions are however unexpectedly present in 4. On the basis of the proper spin Hamiltonians, magnetic exchange couplings are estimated to be in the span from 1.79 to 7.48 cm(-1) for the ferromagnetically coupled systems and -1.40 cm(-1) for the antiferromagnetic dimer. A slow magnetic relaxation is tangible in 5, which is in connection with isolated chains devoid of any intermolecular noncovalent interactions. Density Functional Theory (DFT) calculations and compadson of structural parameters suggest that the observed magnetic behaviors are mainly associated with the bending of the Mn-N C angle in the bridging pathway.

  DOI：

  10.1021/ic100301q