Fe2(CO)4(μ-bis(diphenylphosphino)methane)(μ-ethanedithiolate) | 1257529-95-5

• 英文名称: Fe2(CO)4(μ-bis(diphenylphosphino)methane)(μ-ethanedithiolate)
• 英文别名: Fe2(CO)4(μ-dppm)(μ-edt)；[diiron(carbonyl)₄(μ-dppm)(μ-edt)]；[Fe2(CO)4(μ-bis(diphenylphosphino)methane)(μ-edt)]
• CAS: 1257529-95-5；1257529-97-7
• 化学式: C₃₁H₂₆Fe₂O₄P₂S₂
• 分子量: 700.319
• InChiKey: SVJOXTVNRTZFLN-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：
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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：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  μ-(1,2-ethanedithilato)diironhexacarbonyl 、 双二苯基膦甲烷 在 (CH₃)3NO*2H₂O 作用下， 以 甲苯 为溶剂， 以34%的产率得到Fe2(CO)4(μ-bis(diphenylphosphino)methane)(μ-ethanedithiolate)
  参考文献：
  名称：

  Diphosphine Mobility at a Binuclear Metal Center: A Concerted Double Trigonal-Twist in Bis(dithiolate) Complexes [M₂(CO)₄(μ-dppm){μ-S(CH₂)_nS}] (M = Fe, Ru; n = 2, 3)

  摘要：

  Heating [M-2(CO)(6){mu-S(CH2)(n)S}] (M = Fe, Ru; n = 2 (edt), 3 (pdt)) with bis(diphenylphosphino)methane (dppm) in toluene affords the bridged-diphosphine complexes [M-2(CO)(4)(mu-dppm){mu-S(CH2)(n)S}]. At room temperature, all show two separate environments for the methylene protons of the diphosphine ligand, while at higher temperatures these coalesce to a single peak. This behavior, which interconverts the two sulfur atoms, is ascribed to a concerted double trigonal-twist of the M(CO)(2)P moieties. No such fluxional behavior was observed for the nonlinked dithiolate complexes [Fe-2(CO)(4)(mu-dppm)(mu-SR)(2)] (R = Me, Ph, p-tolyl). The X-ray structures of [M-2(CO)(4)(mu-dppm)(mu-edt)] (M = Fe, Ru) and [Fe-2(CO)(4)(mu-dppm)(mu-SMe)(2)] are presented in order to compare them to the previously reported [M-2(CO)(4)(mu-dppm)(mu-pdt)].

  DOI：

  10.1021/om100894w

文献信息

• Hydrogenase biomimetics: structural and spectroscopic studies on diphosphine-substituted derivatives of Fe2(CO)6(µ-edt) (edt = ethanedithiolate) and Fe2(CO)6(µ-tdt) (tdt = 1,3-toluenedithiolate)
  作者：Shahed Rana、Shishir Ghosh、Md. Kamal Hossain、Ahibur Rahaman、Graeme Hogarth、Shariff E. Kabir

  DOI：10.1007/s11243-016-0097-5

  日期：2016.11

  similar reaction of 2 with dppm yields only Fe2(CO)4(µ-dppm)(µ-tdt) (5). In contrast, 1 and 2 react with 1,2-bis(diphenylphosphino)ethane (dppe) to form the chelate complex Fe2(CO)4(κ2-dppe)(µ-edt) (7) and Fe2(CO)4(κ2-dppe)(µ-tdt) (8), respectively; in both the diphosphine binds in an apical–basal fashion to a single iron atom. A second product of the dppe reaction with 1 is tetranuclear [Fe2(CO)5(µ-edt)]2(κ1

  已经探索了一系列二膦与 Fe2(CO)6(µ-edt) (1) 和 Fe2(CO)6(µ-tdt) (2) 的反应，产物的性质高度依赖于二膦。1 与双（二苯基膦基）甲烷 (dppm) 在 82 °C 的乙腈中反应得到单取代的 Fe2(CO)5(κ1-dppm)(µ-edt) (3)，其中膦占据顶端位置和双取代 Fe2( CO)4(µ-dppm)(µ-edt) (4) 其中膦作为桥连配体，而 2 与 dppm 的类似反应仅产生 Fe2(CO)4(µ-dppm)(µ- tdt) (5). 相比之下，1 和 2 与 1,2-双（二苯基膦）乙烷 (dppe) 反应形成螯合物 Fe2(CO)4(κ2-dppe)(µ-edt) (7) 和 Fe2(CO)4( κ2-dppe)(μ-tdt) (8) 分别；在这两种情况下，二膦都以顶底方式与单个铁原子结合。dppe 与 1 反应的第二个产物是四核 [Fe2(CO)5(µ-edt)]2(κ1