[Fe(II)(OH2)2(hexadecylsulfonate)2] | 1228041-38-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 英文名称: [Fe(II)(OH2)2(hexadecylsulfonate)2]
• CAS: 1228041-38-0
• 化学式: C₃₂H₇₀FeO₈S₂
• 分子量: 702.882
• InChiKey: MNLDHFBITRSDIG-UHFFFAOYSA-L

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：

  4-amino-3,5-bis([(2-pyridylmethyl)amino]methyl)-4H-1,2,4-triazole 、 [Fe(II)(OH2)2(hexadecylsulfonate)2] 、 水 以 甲醇 为溶剂， 以45%的产率得到[Fe(II)2(4-amino-3,5-bis([(2-pyridylmethyl)amino]methyl)-4H-1,2,4-triazole)2](C16H33SO3)4*2H2O
  参考文献：
  名称：

  Effect of Counteranion X on the Spin Crossover Properties of a Family of Diiron(II) Triazole Complexes [Fe^II₂(PMAT)₂](X)₄

  摘要：

  Seven diiron(II) complexes, [Fe-2(II)(PMAT)(2)](X)(4), varying only in the anion X, have been prepared, where PMAT is 4-amino-3,5-bis{[(2-pyridylmethyl)- amino]methyl}-4H-1,2,4-triazole and X = BF4-, (1), Cl- (2), PF6- (3), SbF6- (4), CF3SO3- (5), B(PhF)(4)(-) (6), and C16H33SO3- (7). Most were isolated as solvates, and the microcrystalline ([3], [4]center dot 2H(2)O, [5]center dot H2O, and [6]center dot 1/2MeCN) or powder ([2]center dot 4H(2)O, and [7]center dot 2H(2)O) samples obtained were studied by variable-temperature magnetic susceptibility and Mossbauer methods. A structure determination on a crystal of [2]center dot 2MeOH center dot H2O, revealed it to be a [LS-HS] mixed low spin (LS)-high spin (HS) state dinuclear complex at 90 K, but fully high spin, [HS-HS], at 293 K. In contrast, structures of both [5]center dot 3/4IPA center dot H2O and [7]center dot 1.6MeOH center dot 0.4H(2)O showed them to be [HS-HS] at 90 K, whereas magnetic and Mossbauer studies on [5]center dot H2O and [7]center dot 2H(2)O revealed a different spin state, [LS-HS], at 90 K, presumably because of the difference in solvation. None of these complexes undergo thermal spin crossover (SCO) to the fully LS form, [LS-LS]. The PF6- and SbF6- complexes, 3 and [4]center dot 2H(2)O, appear to be a mixture of [HS-LS] and [HS-HS] at low temperature, and undergo gradual SCO to [HS-HS] on warming. The CF3SO3- complex [5]center dot H2O undergoes gradual, partial SCO from [HS-LS] to a mixture of [HS-LS] and [HS-HS] at T-1/2 approximate to 180 K. The B(PhF)(4)(-) and C16H33SO3- complexes, [6]center dot 1/2MeCN and [7]center dot 2H(2)O, are approximately [LS-HS] at all temperatures, with an onset of gradual SCO with T-1/2>300 K.

  DOI：

  10.1021/ic200308k