[{Fe2(μ-1,3-propanedithiolate)(CO)5}2(μ, κ1, κ1- Ph2PCH2N(Ph)CH2PPh2)] | 1201830-12-7

• 英文名称: [{Fe2(μ-1,3-propanedithiolate)(CO)5}2(μ, κ1, κ1- Ph2PCH2N(Ph)CH2PPh2)]
• 英文别名: [{Fe₂(μ-1,3-propanedithiolate)(CO)₅}₂(μ, κ¹, κ¹-Ph₂PCH₂N(Ph)CH₂PPh₂)]；[{Fe₂(μ-pdt)(CO)₅}₂(μ, κ¹, κ¹-Ph₂PCH₂N(Ph)CH₂PPh₂)]；[((μ-pdt)Fe2(CO)5)2(μ,κ1,κ1-Ph2PCH2N(Ph)CH2PPh2)]；[((μ-propane-1,3-dithiolato)Fe2(CO)5)2(μ,κ1,κ1-Ph2PCH2N(Ph)CH2PPh2)]
• CAS: 1201830-12-7
• 化学式: C₄₈H₄₁Fe₄NO₁₀P₂S₄
• 分子量: 1205.45
• InChiKey: UAOKICUIFKOCJL-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

• 作为产物：
  描述：

  1,3-(μ-propanedithiolato)diironhexacarbonyl 、 N,N-bis((diphenylphosphino)methyl)benzenamine 在 (CH₃)3NO*2H₂O 作用下， 以 acetonitrile 为溶剂， 以86%的产率得到[{Fe2(μ-1,3-propanedithiolate)(CO)5}2(μ, κ1, κ1- Ph2PCH2N(Ph)CH2PPh2)]
  参考文献：
  名称：

  螯合二膦配体中含侧链胺的[FeFe]-氢化酶的μ-氢化物Diiron模型配合物的制备，容易的去质子化和快速H / D交换

  摘要：

  [（μ-pdt）Fe 2（CO）6 ]与（Ph 2 PCH 2）2 N（n -Pr）在回流甲苯中的CO置换得到不对称的螯合络合物[（μ-pdt）{Fe（CO） ）3 } {的Fe（CO）（κ 2 -Ph 2 PCH 2 N（ñ -Pr）CH 2 PPH 2 }]（1）作为主要产物，用对称的分子内桥的少量一起配合物[（μ -pdt）{μ-PH 2 PCH 2 N（ñ -Pr）CH 2 PPH 2 } {的Fe（CO）2 }2 ]（2）和分子间桥连络合物[{μ，κ 1，κ 1 -Ph 2 PCH 2 N（Ñ -Pr）CH 2 PPH 2 } {（μ-PDT）的Fe 2（CO）5 } 2 ] （3）。相比之下，[（μ-pdt）Fe 2（CO）6 ]与（Ph 2 PCH 2）2 NR（R = n -Pr，Ph）的反应提供了存在a的分子间桥联异构体3和4。脱CO试剂Me 3 NO·2H2 ○在CH 3

  DOI：

  10.1021/ic901154m

文献信息

• Dimeric FeFe-hydrogenase mimics bearing carboxylic acids: Synthesis and electrochemical investigation
  作者：Benjamin R. Garrett、Amneh Awad、Mingfu He、Kevin A. Click、Christopher B. Durr、Judith C. Gallucci、Christopher M. Hadad、Yiying Wu

  DOI：10.1016/j.poly.2015.08.019

  日期：2016.1

  Hydrogen is expected to be important for future sustainable energy applications. Recent interest in adsorbing water splitting catalysts on a semiconductor surface for electrocatalytic hydrogen production warrants careful study of electrocatalysts with functional groups capable of binding to a surface. The monomeric complex Fe-2(mu-S-2(CH2)(3))(CO)(5)PPh2C6H4CO2H (S-2(CH2)(3) = 1,3-propanedithiolate, pdt) and the dimeric complexes [Fe-2(mu-pdt)(CO)(5)}(2)(mu,kappa(1),kappa(1)-Ph2PCH2N(Ar)CH2PPh2)] (Ar = p-CO2H-Ph, 3,5-CO2HPh, p-CH2CO2HPh, m-CO2H-Ph) bearing carboxylic acid functional groups have been prepared. The first electrochemical study of these dimeric FeFe complexes indicate that the complexes degrade upon reduction to form the species [Fe-2(mu-Pdt)(CO)(4)(kappa(2)-Ph2PCH2N(Ar)CH2PPh2)]. A route is proposed for the formation of [Fe-2(mu-pdt)(CO)(4)(kappa(2)-Ph2PCH2N(Ar)CH2PPh2)] from [Fe-2(mu-pdt)(CO)(5)}(2)(mu,kappa(1),kappa(1)-Ph2PCH2N(Ar)CH2PPh2)] and a crystal structure of an intermediate in the proposed electrochemical degradation pathway is presented. The electrochemical study presented herein provides valuable insight into degradation pathways of FeFe hydrogenase mimics bearing carboxylic acids amenable to surface immobilization. (C) 2015 Elsevier Ltd. All rights reserved.