{(1,4,7-trimethyl-1,4,7-triazacyclononane)Fe(C6H4(O)CHNO)3Fe} | 247105-99-3

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: {(1,4,7-trimethyl-1,4,7-triazacyclononane)Fe(C6H4(O)CHNO)3Fe}
• 英文别名: [(1,4,7-trimethyl-1,4,7-triazacyclononane)Fe(III)(salicylaldoxime)3Fe(III)]；iron(3+);2-[(E)-oxidoiminomethyl]phenolate;1,4,7-trimethyl-1,4,7-triazonane
• CAS: 247105-99-3
• 化学式: C₃₀H₃₆Fe₂N₆O₆
• 分子量: 688.346
• InChiKey: ZKSDCBJEQDBESF-SJZSVYKZSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  sodium perchlorate monohydrate 、 [(1,4,7-trimethyl-1,4,7-triazacyclononane)trichloroiron(III)] 、 水杨醛肟 、 iron(II) acetate 在 sodium acetate 、 triethylamine 作用下， 以 甲醇 为溶剂， 以34%的产率得到{(1,4,7-trimethyl-1,4,7-triazacyclononane)2Fe2(μ3-O)2(μ2-CH3COO)3(C6H4(O)CHNO)2Fe2}(ClO4)
  参考文献：
  名称：

  Synthesis, structure and magnetism of a tetranuclear Fe(III) complex containing an [Fe4(μ3-O)2]8+ core

  摘要：

  The tetranuclear Fe(III) complex [L2Fe2(mu3-O)2(mu2-CH3COO)3(Sao)2Fe2]X (X = ClO4 (1), PF6 (2)), where L is the cyclic amine 1,4,7-trimethyl-1,4,7-triazacyclononane and Sao is the dianion of salicylaldoxime (H2Sao), has been synthesized and characterized on the basis of elemental analysis, IR, electronic, Mossbauer spectroscopy and variable-temperature (4-285 K) magnetic susceptibility measurements. The molecular structure has been established by X-ray diffraction of 2. The structure consists of an [Fe2wing(mu3-O)2Fe2body]8+-butterfly core. Each Fe(III) ion is in a distorted octahedral environment. The two Fe(Sao)+ units function as bridges between two terminal 'wing' iron ions through their deprotonated oximate oxygen and represent the 'body' iron ions in the tetranuclear core. Three acetate groups are singly bridging between the iron ions. Mossbauer spectra display two quadrupole doublets, consistent with two different high-spin ferric sites. Magnetic susceptibility measurements reveal a diamagnetic ground state with antiferromagnetic exchange interactions among the four high-spin ferric centers. The exchange coupling constant J12 ('body-body' interaction) could not be determined due to prevailing spin frustration, but the 'wine-body' antiferromagnetic interaction, J, was evaluated to be -46 cm-1 [H = -2J(S1.S3 + S2.S3 + S1.S4 + S2.S4) - 2J12S1.S2].

  DOI：

  10.1016/s0020-1693(00)92331-4