heptacarbonyl-μ-{(1-3-η3:,2-η)-2-propene-1,2-diyl}-diiron | 12300-81-1

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: heptacarbonyl-μ-{(1-3-η3:,2-η)-2-propene-1,2-diyl}-diiron
• CAS: 12300-81-1
• 化学式: C₁₀H₄Fe₂O₇
• 分子量: 347.832
• InChiKey: FIQVGGRSAMEYTI-UHFFFAOYSA-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

• 作为反应物：
  描述：

  heptacarbonyl-μ-{(1-3-η3:,2-η)-2-propene-1,2-diyl}-diiron 在 一氧化碳 作用下， 以 Petroleum ether 为溶剂， 生成 heptacarbonyl-μ-{(1-η:2,2α,3-η2)-2-methylene-1-oxo-1,3-propandiyl}-diiron
  参考文献：
  名称：

  Aumann, Rudolf; Melchers, Hans-Dieter; Weidenhaupt, Hermann-Josef, Chemische Berichte, 1990, vol. 123, # 2, p. 351 - 356

  摘要：

  DOI：
• 作为产物：
  描述：

  diiron nonacarbonyl 、 2-Cl-C3H4Fe(CO)3Cl 生成 heptacarbonyl-μ-{(1-3-η3:,2-η)-2-propene-1,2-diyl}-diiron
  参考文献：
  名称：

  丙二烯与二铁烯羰基的反应

  摘要：

  DOI：

  10.1039/c19680000247

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Fe: Org.Verb.B5, 1.3.1.4.1.1, page 32 - 67
  作者：

  DOI：——

  日期：——
• Aumann, Rudolf; Melchers, Hans-Dieter; Weidenhaupt, Hermann-Josef, Chemische Berichte, 1987, vol. 120, p. 17 - 22
  作者：Aumann, Rudolf、Melchers, Hans-Dieter、Weidenhaupt, Hermann-Josef

  DOI：——

  日期：——
• Aumann, Rudolf; Weidenhaupt, Hermann-Josef, Chemische Berichte, 1987, vol. 120, p. 105 - 108
  作者：Aumann, Rudolf、Weidenhaupt, Hermann-Josef

  DOI：——

  日期：——
• Structure of (2,2'-Biallylene)hexacarbonyldiiron
  作者：Robert C. Kerber、M. Jawad Miran、Brian Waldbaum、Arnold L. Rheingold

  DOI：10.1021/om00004a062

  日期：1995.4

  The crystal structures of the title compound [C12H8Fe2O6, orthorhombic, Iba2 (No. 45), a = 22.762(15) Angstrom, b = 12.229(11) Angstrom, c = 9.615(8) Angstrom, Z = 8] and its triphenylphosphine substitution product [C29H13Fe2O5P, triclinic, P $($) over bar$$ 1 (No. 2), a = 10.7506(20) Angstrom, b = 13.3657(23) Angstrom, c = 9.5827(16) Angstrom, alpha = 92.803(11), beta = 94.022(11), gamma = 73.444(14)degrees, Z = 2] are reported. They show systematic deviations from C-2v symmetry, with the biallylene ligand being nonplanar due to pyramidalization and internal rotation about its central C-C bond; also, the Fe-Fe and central C-C axes are not parallel, being twisted by 11 degrees relative to each other. Low-temperature NMR studies at -95 degrees indicate similar distortions in solution, with very low activation energy for interconversion of equivalent lower-symmetry forms. In the crystal structures, these distortions of the biallylene ligand are accompanied by relief of eclipsing interactions among the equatorial carbonyl ligands of the Fe-2(CO)(5)L fragment. Pyramidalization is found in all published (2,2'-biallylene)diiron structures, but the twisting and rotation are not, consistent with the small energy change which accompanies these latter deformations.
• Herrmann, Wolfgang A.; Weichmann, Josef; Ziegler, Manfred L., Angewandte Chemie, 1982, vol. 94, p. 545 - 546
  作者：Herrmann, Wolfgang A.、Weichmann, Josef、Ziegler, Manfred L.、Pfisterer, Heike

  DOI：——

  日期：——