[Fe(octaethylporphyrinato)(CO)2] | 77439-26-0

• 英文名称: [Fe(octaethylporphyrinato)(CO)2]
• 英文别名: [Fe(OEP)(CO)2]
• CAS: 77439-26-0
• 化学式: C₃₈H₄₄FeN₄O₂
• 分子量: 644.64
• InChiKey: ZXZCHSBAGQXFCF-SBYLDBAISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 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：

  {(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
• 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.