carbonyl(2,3,7,8,12,13,17,18-octaethylporphinato)iron(II) | 78319-84-3

• 英文名称: carbonyl(2,3,7,8,12,13,17,18-octaethylporphinato)iron(II)
• 英文别名: [Fe(octaethylporphyrinato)(CO)]；[Fe(OEP)(CO)]
• CAS: 78319-84-3
• 化学式: C₃₇H₄₄FeN₄O
• 分子量: 616.63
• InChiKey: CTSXEIMWWWDSEB-YAJYDHHFSA-N

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：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  carbonyl(2,3,7,8,12,13,17,18-octaethylporphinato)iron(II) 、 二甲基二硫 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Kau, Lung-Shan; Svastits, Edmund W.; Dawson, John H., Inorganic Chemistry, 1986, vol. 25, # 23, p. 4307 - 4309

  摘要：

  DOI：
• 作为产物：
  描述：

  {(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(II)} 在 一氧化碳 作用下， 以 二氯甲烷 为溶剂， 生成 carbonyl(2,3,7,8,12,13,17,18-octaethylporphinato)iron(II) 、 [Fe(octaethylporphyrinato)(CO)2]
  参考文献：
  名称：

  Carbon monoxide affinities of iron(II) octaethylporphyrin, octaethylchlorin, and octaethylisobacteriochlorin

  摘要：

  DOI：

  10.1021/ic00133a005

文献信息

• Iron(II, III)-chlorin and -isobacteriochlorin complexes. Models of the heme prosthetic groups in nitrite and sulfite reductases: means of formation and spectroscopic and redox properties
  作者：Alan M. Stolzenberg、Steven H. Strauss、R. H. Holm

  DOI：10.1021/ja00406a018

  日期：1981.8
• Reaction of carbon monoxide with alkyliron porphyrins generated from alkyl halides and electrochemically produced iron(I) and iron(0)porphyrins
  作者：Claire Gueutin、Doris Lexa、Michel Momenteau、Jean Michel Saveant

  DOI：10.1021/ja00161a035

  日期：1990.2
• Coordination of Diatomic Ligands to Heme:  Simply CO
  作者：Nathan J. Silvernail、Bruce C. Noll、Charles E. Schulz、W. Robert Scheidt

  DOI：10.1021/ic0613356

  日期：2006.9.1

  The synthesis and molecular structures of three iron(II) porphyrinates with only CO as the axial ligand(s) are reported. Two five-coordinate [Fe(OEP)(CO)] derivatives have Fe - C = 1.7077(13) and 1.7140(10)A, much shorter than those of six-coordinate [ Fe(OEP)(Im)(CO)], although vc-o is 1944 - 1948 cm(-1). The sixcoordinate species [Fe(OEP)(CO)(2)] has also been studied. The competition for d-back-bonding of two CO ligands leads to Fe - C distance of 1.8558(10)A and v(C-O) being increased to 2021 cm(-1). The Mossbauer spectrum has a quadrupole splitting constant of 0 mm/s at 4.2 K, indicating high electronic symmetry.