tetra-n-butylammonium (5,5'-dimethyl-2,2'-bipyridine)tetracyanoferrate(III) | 1044504-25-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: tetra-n-butylammonium (5,5'-dimethyl-2,2'-bipyridine)tetracyanoferrate(III)
• 英文别名: (Bu4N)[Fe(4,4'-dimethyl-2,2'-bipyridine)(CN)4]
• CAS: 1044504-25-7
• 化学式: C₁₆H₁₂FeN₆*C₁₆H₃₆N
• 分子量: 586.627
• InChiKey: PGRIRPHSQKKOMQ-UHFFFAOYSA-N

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：

  甲醇 、 manganese(II) perchlorate hexahydrate 、 tetra-n-butylammonium (5,5'-dimethyl-2,2'-bipyridine)tetracyanoferrate(III) 以 水 为溶剂， 以71%的产率得到[Mn(CH3OH)2Fe2(4,4'-dimethyl-2,2'-bipyridine)2(CN)8](n)
  参考文献：
  名称：

  Syntheses, structures, and magnetic properties of heterobimetallic Fe2IIIMII (M=Cu, Mn) chains based on tetracyanometallic building block

  摘要：

  Using the tetracyanometalate precursor [Fe(4,4'-dmbipy)(CN)(4)](-) (4,4'-dmbipy = 4,4'-dimethyl-2,2'-bipyridine) as the building block, two new cyano-bridged one-dimensional heterobimetallic coordination polymers, [M(CH3OH)(2)Fe-2(4,4'-dmbipy)(2)(CN)(8)](n) (M = Cu, 1; Mn, 2), have been synthesized and structurally characterized. X-ray crystallography reveals that complexes 1 and 2 consist of heterobimetallic chains of squares, and the central M-II ion is six-coordinated as an elongated distorted octahedral geometry. Magnetic studies show ferromagnetic coupling between Fe-III and Cu-II ions in complex 1. Complex 2 exhibits ferrimagnetic behavior caused by the noncompensation of the local interacting spins (S-Mn = 5/2 and S-Fe = 1/2), which interact antiferromagnetically through bridging cyanide groups. MAGPACK program has been employed to investigate the magnetic nature of squares chain structure. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.07.014
• 作为产物：
  描述：

  5 5'-二甲基-2,2'-二吡啶 在 chlorine 作用下， 以 水 为溶剂， 生成 tetra-n-butylammonium (5,5'-dimethyl-2,2'-bipyridine)tetracyanoferrate(III)
  参考文献：
  名称：

  Syntheses, structures, and magnetic properties of heterobimetallic complexes based on tetracyanometallic building blocks

  摘要：

  Two tetracyanometalate building blocks, [Fe(5,5'-dmbipy)(CN)(4)]-(2) and [Fe(4,4'-dmbipy)(CN)(4)]-(3) (5,5'-dmbipy = 5,5'-dimethyl-2,2'-bipyridine; 4,4'-dmbipy = 4,4'-dimethyl-2,2'-bipyridine), and two cyano-bridged heterobimetallic complexes, [Cu-2(bpca)(2-)(H2O)(2)Fe-2(5,5'-dmbipy)(2)(CN)(8)] center dot 2[Cu(bpca)Fe(5,5'-dmbipy)(CN)4] center dot 4H(2)O (4) and [Cu(bpca) Fe(4,4'-dmbipy)(CN)(4)](n) (5) (bpca = bis(2-pyridylcarbonyl) amidate), have been synthesized and structurally characterized. Complex 4 contains two dinuclear and one tetranuclear heterobimetallic clusters in an asymmetric unit whereas the structure of complex 5 features a one-dimensional heterobimetallic zigzag chain. The Cu(II) ion is penta-coordinated in the form of a distorted square-based pyramid. Magnetic studies show ferromagnetic coupling between Cu(II) and Fe(III) ions with g = 2.28, J(1) = 2.64 cm(-1), J(2) = 5.40 cm(-1) and TIP = -2.36 x 10(-3) for complex 4, and g = 2.17, J = 4.82 cm(-1) and zJ' = 0.029 cm(-1) for complex 5. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.02.036