[(n-Bu)4N][Fe(1,2-bis(pyridine-2-carboxamido)benzeneato)(CN)2] | 287381-99-1

• 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: [(n-Bu)4N][Fe(1,2-bis(pyridine-2-carboxamido)benzeneato)(CN)2]
• 英文别名: iron(3+);pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide;tetrabutylazanium;dicyanide
• CAS: 287381-99-1
• 化学式: C₁₆H₃₆N*C₂₀H₁₂FeN₆O₂
• 分子量: 666.67
• InChiKey: LGXIMUGYBVGUAT-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：

  [(n-Bu)4N][Fe(1,2-bis(pyridine-2-carboxamido)benzeneato)(CN)2] 在 [Ni(1,4,7-triazacyclononane)2](ClO₄)3 作用下， 以 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
• 作为产物：
  描述：

  N,N-bis(2-pyridinecarboxamide)-1,2-benzene 在 NaOH 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 [(n-Bu)4N][Fe(1,2-bis(pyridine-2-carboxamido)benzeneato)(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