[Fe(3-(3-methyl-2-pyridyl)-5-(2-pyridyl)-1,2,4-triazole){Au(CN)2}]n | 1520009-81-7

• 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: [Fe(3-(3-methyl-2-pyridyl)-5-(2-pyridyl)-1,2,4-triazole){Au(CN)2}]n
• 英文别名: [Fe(Mebpt){Au(CN)2}]n
• CAS: 1520009-81-7
• 化学式: C₂AuN₂*C₁₃H₁₀N₅*Fe
• 分子量: 541.105
• InChiKey: DUKSZFMJISWECP-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

• 作为产物：
  描述：

  ferrous(II) sulfate heptahydrate 、 3-(3-methyl-2-pyridyl)-5-(2-pyridyl)-1,2,4-triazole 、 potassium dicyanoaurate 以 乙醇 、 水 为溶剂， 反应 72.0h， 以10%的产率得到[Fe(3-(3-methyl-2-pyridyl)-5-(2-pyridyl)-1,2,4-triazole){Au(CN)2}]n
  参考文献：
  名称：

  Spin-Crossover Behavior in Two New Supramolecular Isomers

  摘要：

  Two spin-crossover (SCO) supramolecular isomers formulated as [Fe(Mebpt){Au(CN)(2)}](n)center dot xH(2)O (1, x = 0, and 2.H2O, x = n, MebptH = 3-(5-methyl-2-pyridyl)-5-(2-pyridyl)-1,2,4-triazole) have been successfully isolated and characterized by single-crystal X-ray crystallography, thermogravimetric analysis, differential scanning calorimetry, variable-temperature powder X-ray diffraction, and magnetic measurements. Structural analysis reveals that 1 is a two-dimensional coordination layer and 2.H2O is a one-dimensional coordination ladder structure, in which the Mebpt(-) ligands are coordinated in trans and cis bridging mode in 1 and 2.H2O, respectively. Dramatically, their SCO properties are further influenced by the octahedral coordination configuration of Fe(II). In 1, only the Fe(II) centers in trans configuration exhibit spin transition (T-c = 303 K), while in 2.H2O and the dehydrated 2, gradual two-step SCO (T-c1 = 235 K, T-c2 = 313 K) and one-step SCO behaviors (T-c = 315 K) occur, respectively.

  DOI：

  10.1021/ic402096s