N,N'-bis(2-mercaptoethyl)-1,4-diazacycloheptane iron(II) dimer | 911371-32-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: N,N'-bis(2-mercaptoethyl)-1,4-diazacycloheptane iron(II) dimer
• 英文别名: [Fe(N,N-bis(2-mercaptoethyl)-1,5-diazacycloheptane)]₂；[Fe(bme-dach)]₂；[(N,N'-bis(2-mercaptoethyl)-1,5-diazacycloheptane(2-))Fe]2；[(N,N'-bis(2-mercaptoethyl)-1,4-diazacycloheptane)Fe]2；[(bme-dach)Fe]2
• CAS: 911371-32-9
• 化学式: C₁₈H₃₆Fe₂N₄S₄
• 分子量: 548.469
• InChiKey: OEIXTKJJDJJJCF-UHFFFAOYSA-J

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

• 作为反应物：
  描述：

  N,N'-bis(2-mercaptoethyl)-1,4-diazacycloheptane iron(II) dimer 、 氧化亚氮 以 甲醇 为溶剂， 以95%的产率得到(N,N'-bis(2-mercaptoethyl)-1,4-diazacycloheptane)nitrosyliron
  参考文献：
  名称：

  Synthesis and Molecular Structures of Mononitrosyl (N₂S₂)M(NO) Complexes (M = Fe, Co)

  摘要：

  A series of tetragonally distorted square pyramids of formula N2S2M(NO) (M = Fe, Co) is prepared and characterized by v(NO) IR and EPR spectroscopies, magnetism and electrochemical properties, as well as solid-state crystal structure determinations. While the v(NO) IR frequencies and the ZM-N-O angles indicate differences in the electronic environment of NO consistent with the Enemark-Feltham notation of {Fe(NO)}(7) and {Co(No)}(8), the reduction potentials, assigned to {Fe(NO)(7) + e(-) double left right arrow {Fe(NO)}(8) and {Co(NO)}(8) + e(-) double left right arrow {Co(NO)}(9) respectively, are very similar, and in cases identical, for most members of the series. Coupled with the potential for the M(NO) units to breathe out of and into the N2S2 core plane are unique S-M-N-O torsional arrangements and concomitant pi-bonding interactions which may account for the unusual coherence of reduction potentials within the series.

  DOI：

  10.1021/ic051027s

文献信息

• The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N₂S₂O₂complexes
  作者：J. A. Denny、W. S. Foley、A. D. Todd、M. Y. Darensbourg

  DOI：10.1039/c5sc02269j

  日期：——

  The effect ofS-acetylation in MN₂S₂complexes on metal exchange reactivity was examined in a series of MN₂S₂O₂complexes.

  在一系列的MN₂S₂O₂配合物中，研究了MN₂S₂配合物中的S-乙酰化对金属交换反应性的影响。
• A {Fe(NO)₃}¹⁰ Trinitrosyliron Complex Stabilized by an N-Heterocyclic Carbene and the Cationic and Neutral {Fe(NO)₂}^9/10 Products of Its NO Release
  作者：Chung-Hung Hsieh、Marcetta Y. Darensbourg

  DOI：10.1021/ja104135x

  日期：2010.10.13

  In contrast to the instability of XFe(NO)(3) and [R(3)PFe(NO)(3)](+), the N-heterocyclic carbene (NHC)-containing trinitrosyliron complex (TNIC) [(IMes)Fe(NO)(3)][BF(4)] (1) [IMes =1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene] can be readily isolated and manipulated in solution under ambient conditions. Nevertheless, in the presence of thiolates (SR(-)), this EPR-silent TNIC (denoted Fe(NO)(3)}(10)

  与 XFe(NO)(3) 和 [R(3)PFe(NO)(3)](+) 的不稳定性相反，含 N-杂环卡宾 (NHC) 的三亚硝基甲基络合物 (TNIC) [(IMes) Fe(NO)(3)][BF(4)] (1) [IMes =1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene] 可以很容易地在环境下在溶液中分离和操作使适应。然而，在硫醇盐 (SR(-)) 的存在下，这种 EPR 沉默的 TNIC（在 Enemark-Feltham 符号中表示为 Fe(NO)(3)}(10)）释放气态 NO，在 SR 的情况下提供(-) = SPh(-) EPR 活性的中性二亚硝基苯配合物 (DNIC) (IMes)Fe(SPh)(NO)(2) (3, Fe(NO)(2)}(9))。一氧化碳强制从 3 中双分子还原消除 PhSSPh，产生 (IMes)(CO)Fe(NO)(2)
• Structural and Electronic Responses to the Three Redox Levels of Fe(NO)N₂ S₂ -Fe(NO)₂
  作者：Pokhraj Ghosh、Shengda Ding、Manuel Quiroz、Nattamai Bhuvanesh、Chung-Hung Hsieh、Philip M. Palacios、Brad S. Pierce、Marcetta Y. Darensbourg、Michael B. Hall

  DOI：10.1002/chem.201804168

  日期：2018.10.26

  The nitrosylated diiron complexes, Fe2(NO)3, of this study are interpreted as a mono‐nitrosyl Fe(NO) unit, MNIU, within an N2S2 ligand field that serves as a metallodithiolate ligand to a dinitrosyl iron unit, DNIU. The cationic Fe(NO)N2S2⋅Fe(NO)2+ complex, 1+, of Enemark–Feltham electronic notation Fe(NO)}7‐Fe(NO)2}9, is readily obtained via myriad synthetic routes, and shown to be spin coupled

  本研究的亚硝基化二铁配合物 Fe 2 (NO) 3被解释为单亚硝基 Fe(NO) 单元 MNIU，位于 N 2 S 2配体场中，作为二亚硝基铁单元的金属二硫醇配体， DNIU。Enemark–Feltham 电子符号 Fe(NO)} 7 ‐Fe(NO) 2 } 9的阳离子 Fe(NO)N 2 S 2 ⋅Fe(NO) 2 +复合物1 +，很容易通过无数次获得合成路线，并显示为自旋耦合和抗磁性。它的单还原形式和双还原形式，Fe(NO)} 7 ‐Fe(NO) 2 }10 , 1 0和 Fe(NO)} 8 ‐Fe(NO) 2 } 10 , 1 -被分离和表征。虽然 DNIU 的结构参数在很大程度上不受氧化还原水平的影响，但 MNIU 很容易做出反应；中性，S= ，复合物，1 0，发现添加到 DNIU 中的额外电子密度影响相邻的 MNIU，如其 Fe- N- O 角（从 171° 到 1