[(tris(5-mesitylpyrrolyl)ethane)Fe(NHMes)][Li(tetrahydrofuran)₄] | 1508257-36-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(tris(5-mesitylpyrrolyl)ethane)Fe(NHMes)][Li(tetrahydrofuran)₄]
• 英文别名: [(tpe)Fe(NHMes)][Li(THF)₄]
• CAS: 1508257-36-0
• 化学式: C₁₆H₃₂LiO₄*C₅₀H₅₄FeN₄
• 分子量: 1062.22
• InChiKey: MSPAGCUFYIMKPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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反应信息

• 作为产物：
  描述：

  2-叠氮基-1,3,5-三甲基苯 、 [(tris(5-mesitylpyrrolyl)ethane)Fe(tetrahydrofuran)][Li(tetrahydrofuran)₄] 以 苯 为溶剂， 反应 0.25h， 生成 [(tris(5-mesitylpyrrolyl)ethane)Fe(NHMes)][Li(tetrahydrofuran)₄]
  参考文献：
  名称：

  Multiple, Disparate Redox Pathways Exhibited by a Tris(pyrrolido)ethane Iron Complex

  摘要：

  Iron(III) complexes of the tris(pyrrolide)ethane trianion have been synthesized by reaction of one- and two-electron oxidants with [(tpe)Fe(THF)][Li(THF)(4)] (tpe = tris(5-mesitylpyrrolyl)ethane). X-ray crystallography, Fe-57 Mossbauer, H-1 NMR and EPR spectroscopy, SQUID magnetometry, and density functional theory calculations were employed to rigorously establish the iron 3+ oxidation state. All oxidants employed are proposed to operate via an inner-sphere electron transfer mechanism. Dialkyl peroxides and dibenzyldisulfide served to oxidize iron by one electron, and group transfer of an aryl nitrene unit to the Fe2+ starting material resulted in formation of Fe3+ amido species following H-atom abstraction by a presumed nitrenoid intermediate. Single electron. transfer to and from diphenyldiazoalkane was also observed to yield a diphenyldiazomethanyl radical anion antiferromagnetically coupled to the S = 5/2 Fe3+. Isolation of Fe3+ complexes of tpe, in comparison with previous results wherein the tpe ligand was the redox active moiety, presents an unusual juxtaposition of two noncommunicating redox reservoirs, each accessible via different reaction pathways (namely, inner- and outer-sphere electron transfer).

  DOI：

  10.1021/ic402210j