[Fe2(μ-H)(CO)3(μ-pdt)(μ,η(2)-bis(2-diphenylphosphinoethyl)phenylphosphine)](1+) | 950581-00-7

• 英文名称: [Fe2(μ-H)(CO)3(μ-pdt)(μ,η(2)-bis(2-diphenylphosphinoethyl)phenylphosphine)](1+)
• 英文别名: [Fe₂(CO)₃(μ-propyldithiolate)(μ,κ¹,κ²-bis(2-diphenylphosphinoethyl)phenylphosphine)(μ-H)]⁺；[Fe2(CO)3(μ-H)(μ-pdt)(μ,η(2)-Ph2PCH2CH2P(Ph)CH2CH2PPh2)](1+)
• CAS: 950581-00-7
• 化学式: C₄₀H₄₀Fe₂O₃P₃S₂
• 分子量: 837.503
• InChiKey: DVBZOXJYJVNDDE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  四氟硼酸-二乙醚络合物 、 Fe₂(CO)₃(μ-propyldithiolate)(μ,κ¹,κ²-bis(2-diphenylphosphinoethyl)phenylphosphine) 以 二氯甲烷 为溶剂， 生成 [Fe2(μ-H)(CO)3(μ-pdt)(μ,η(2)-bis(2-diphenylphosphinoethyl)phenylphosphine)](1+)
  参考文献：
  名称：

  Synthesis, crystal structure and protonation of the asymmetric iron-only hydrogenase model [Fe2(CO)3(μ-pdt){μ,η2-Ph2PCH2CH2P(Ph)CH2CH2PPh2}] (pdt=SCH2CH2CH2S)

  摘要：

  Heating [Fe-2(CO)(6)(mu-pdt)] (pdt = SCH2CH2CH2S) and bis(2-diphenylphosphinoethyl) phenylphosphine (triphos) in toluene gives [Fe-2(CO)(3)(mu-pdt){mu, eta(2)-Ph2PCH2CH2P(Ph)CH2CH2PPh2}], the major form of which has been characterised crystallographically. The complex is highly asymmetric; while one iron centre has the expected square-based pyramidal coordination environment, the second is nearer a trigonal bipyramid. In solution at room temperature, four isomers of the major form interconvert via two processes which can be frozen out at low temperature, while protonation affords a bridging hydride complex which appears to be static at all temperatures. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2006.09.005