[Fe(bpb)(CN)2] | 260999-69-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Fe(bpb)(CN)2]
• 英文别名: iron(4+);pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide;dicyanide
• CAS: 260999-69-7
• 化学式: C₂₀H₁₂FeN₆O₂
• 分子量: 424.201
• InChiKey: LYOCVZSZKUPDHD-UHFFFAOYSA-L

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：

  N,N-bis(2-pyridinecarboxamide)-1,2-benzene 在 NaOH 、 nBu₄NPF₆ 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 [Fe(bpb)(CN)2]
  参考文献：
  名称：

  1,2-Bis(pyridine-2-carboxamido)benzenate(2−), (bpb)^2-:  A Noninnocent Ligand. Syntheses, Structures, and Mechanisms of Formation of [(n-Bu)₄N][Fe^IV₂(μ-N)(bpb)₂(X)₂] (X = CN^-, N₃^-) and the Electronic Structures of [M^III(bpb^ox1)(CN)₂] (M = Co, Fe)

  摘要：

  The well-known tetradentate ligand 1,2-bis(pyridine-2-carboxamido)benzenate(2-), (bpb)(2-), and its 4,5-dichloro analogue, (bpc)(2-), are shown to be "noninnocent" ligands in the sense that in coordination compounds they can exist in their radical one- and diamagnetic two-electron-oxidized forms (bpb(ox1))(-) and (bpb(ox2))(0) land (bpc(oX1))(-) and (bpc(ox2))(0)), respectively. Photolysis of high-spin [(n-Bu)(4)N][Fe-III(bpb)(N-3)(2)] and its (bpc)(2-) analogue in acetone solution at room temperature generates the diamagnetic dinuclear complex [(n-Bu)(4)N][Fe-2(IV)(mu-N)(bpb)(2)(N-3)(2)] and its (bpc)(2-) analogue; the corresponding cyano complex [(n-Bu)(4)N][Fe-2(IV)(mu-N)(bpb)(2)(CN)(2)] has been prepared via N-3(-) substitution by CN-. Photolysis in frozen acetonitrile solution produces a low-spin ferric species (S = 1/2) which presumably is [Fe-III(bpb(ox2))(N)(N-3)](-), as has been established by EPR and Mossbauer spectroscopy. The mononuclear complexes [(n-Bu)(4)N][Fe-III(bpb)(CN2)] (low spin), [Et4N][Co-III(bpb)(CN)(2)] and Na[Co-III(bpc)-CN)(2)].3CH(3)OH can be electrochemically or chemically one-electron-oxidized to give [Fe-II(bpb(ox1))(CN)(2)](0) (S = 0), [Co-III(bpb(ox1))(CN)(2)](0) (S = 1/2), and [Co-III(bpc(ox1))(CN)(2)](0) (S = 1/2). All complexes have been characterized by UV-vis, EPR, and Mossbauer spectroscopy, and their electro- and magnetochemistries have been studied. The crystal structures of [(n-Bu)(4)N][Fe-III(bpb)(N-3)(2)].1/2C(6)H(5)CH(3), Na[Fe-III(bpb)(CN)(2)], Na[Co-III(bpc)(CN)(2)].3CH(3)OH, [(n-Bu)(4)N][Fe-2(IV)(mu-N)(bpb)(2)(CN)(2)], and [(n-Bu)(4)N][Fe-2(IV)(mu-N)(bpb)(N-3)(2)] have been determined by single-crystal X-ray diffraction.

  DOI：

  10.1021/ic0001107

文献信息

• Synthesis and Characterization of Pyridine Amide Cation Radical Complexes of Iron:  Stabilization Due to Coordination with Low-Spin Iron(III) Center
  作者：Apurba Kumar Patra、Manabendra Ray、Rabindranath Mukherjee

  DOI：10.1021/ic9909734

  日期：2000.2.1

  2451). Chemical oxidation of 2 and a new low-spin iron(III) complex Na[Fe(Me6bpb)(CN)2].H2O (4) [synthesized from a new iron(III) complex [Fe(Me6bpb)(py)2][ClO4] (3) (S = 1/2)] [H2Me6bpb = 1,2-bis(3,5-dimethylpyridine2-carboxamido)-4,5-dimethylbenzene) by (NH4)2Ce(NO3)6 afforded isolation of two novel complexes [Fe(bpb)-(CN)2] (5) and [Fe(Me6bpb)(CN)2].H2O (6). All the complexes have been characterized

  我们报道了低自旋铁（III）[Fe（bpb）（py）2] [ClO4]（1）和Na [Fe（bpb）（CN）2]（2）[H2bpb]肽复合物的合成和表征= 1,2-双（吡啶-2-甲酰胺基）苯; py =吡啶]，其中铁在赤道平面上与两个酰胺氮阴离子和两个吡啶氮供体配位至四个氮供体（Ray，M .; Mukherjee，R .; Richardson，JF; Buchanan，RMJ Chem。Soc。， Dalton Trans。1993，2451）。2和新的低自旋铁（III）络合物Na [Fe（Me6bpb）（CN）2] .H2O（4）的化学氧化[由新的铁（III）络合物[Fe（Me6bpb）（py）2合成）通过[NH4] 2Ce（NO3）6分离[H2Me6bpb = 1,2-双（3,5-二甲基吡啶2-羧酰胺基）-4,5-二甲基苯] [ClO4]（S = 1/2）两个新型配合物[Fe（bp