Fe3(CO)8(μ3-CF)(μ3-CFCHCH) | 114396-75-7

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: Fe3(CO)8(μ3-CF)(μ3-CFCHCH)
• CAS: 114396-75-7
• 化学式: C₁₂H₂F₂Fe₃O₈
• 分子量: 479.681
• InChiKey: BOAZQOGLRHQTPJ-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：

  Fe3(CO)8(μ3-CF)(μ3-CFCHCH) 以 正己烷 为溶剂， 生成 、 、 、
  参考文献：
  名称：

  Trinuclear and dinuclear fluorinated ferroles by cluster rearrangement and degradation reactions

  摘要：

  Thermolysis of the diferraallyl clusters Fe3(CO)8(mu-3-CF)(mu-3-CFCRCR') (la-d) (a, R = R' = H; b, R = R' = CH3; c, R = CH3, R' = C6H5; d, R = H, R' = CH3) in hexane yields the isomeric trinuclear ferroles Fe2(CO)8(FeCFCRCR'CF) (2a-d) and Fe2(CO)g(FeCFCFCRCR') (3a-c) and the corresponding dinuclear species Fe(CO)6(FeCFCRCR'CF) (4a-d) and Fe(CO)6(FeCFCFCRCR') (5a-c), respectively. The ratio of the products and small amounts of minor products depends on the substituents. The structures of Fe2(CO)8(FeCFCHCHCF) (2a), Fe2(CO)8(FeCFCFCHCH) (3a), and Fe2(CO)8(FeCFCCH3CC6H5CF) (2c) have been established by X-ray crystal structure determinations: 2a, orthorhombic, Pcab, a = 11.416 (4) angstrom, b = 15.748 (4) angstrom, c = 16.129 (5) angstrom, R = 0.040, R(w) = 0.040; 3a, orthorhombic, Pnma, a = 11.524 (9) angstrom. b = 10.994 (9) angstrom, c = 11.42 (2) angstrom, R = 0.040, R(w) = 0.041; 2c, monoclinic, P2,/c, a = 18..214 (6) angstrom, b = 7.035 (3) angstrom, c = 17.845 (6) angstrom, beta = 117.37 (3)-degrees, R = 0.105, R(w) = 0.080.

  DOI：

  10.1021/om00044a036
• 作为产物：
  描述：

  nonacarbonyl[bis(μ3-fluoromethylidyne)]triiron 、 乙炔 以 正戊烷 为溶剂， 以45%的产率得到Fe3(CO)8(μ3-CF)(μ3-CFCHCH)
  参考文献：
  名称：

  Lentz, Dieter; Michael, Heike, Chemische Berichte, 1988, vol. 121, p. 1413 - 1416

  摘要：

  DOI：

文献信息

• Lentz, Dieter; Michael, Heike, Chemische Berichte, 1988, vol. 121, p. 1413 - 1416
  作者：Lentz, Dieter、Michael, Heike

  DOI：——

  日期：——
• Trinuclear and dinuclear fluorinated ferroles by cluster rearrangement and degradation reactions
  作者：Dieter Lentz、Heike Michael-Schulz、Marion Reuter

  DOI：10.1021/om00044a036

  日期：1992.8

  Thermolysis of the diferraallyl clusters Fe3(CO)8(mu-3-CF)(mu-3-CFCRCR') (la-d) (a, R = R' = H; b, R = R' = CH3; c, R = CH3, R' = C6H5; d, R = H, R' = CH3) in hexane yields the isomeric trinuclear ferroles Fe2(CO)8(FeCFCRCR'CF) (2a-d) and Fe2(CO)g(FeCFCFCRCR') (3a-c) and the corresponding dinuclear species Fe(CO)6(FeCFCRCR'CF) (4a-d) and Fe(CO)6(FeCFCFCRCR') (5a-c), respectively. The ratio of the products and small amounts of minor products depends on the substituents. The structures of Fe2(CO)8(FeCFCHCHCF) (2a), Fe2(CO)8(FeCFCFCHCH) (3a), and Fe2(CO)8(FeCFCCH3CC6H5CF) (2c) have been established by X-ray crystal structure determinations: 2a, orthorhombic, Pcab, a = 11.416 (4) angstrom, b = 15.748 (4) angstrom, c = 16.129 (5) angstrom, R = 0.040, R(w) = 0.040; 3a, orthorhombic, Pnma, a = 11.524 (9) angstrom. b = 10.994 (9) angstrom, c = 11.42 (2) angstrom, R = 0.040, R(w) = 0.041; 2c, monoclinic, P2,/c, a = 18..214 (6) angstrom, b = 7.035 (3) angstrom, c = 17.845 (6) angstrom, beta = 117.37 (3)-degrees, R = 0.105, R(w) = 0.080.