Fe(CO3)3(η2-ethene) | 84520-95-6

• 英文名称: Fe(CO3)3(η2-ethene)
• CAS: 84520-95-6
• 化学式: C₅H₄FeO₃
• 分子量: 167.932
• InChiKey: XGTPXAUNCZCFQK-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：

  Fe(CO3)3(η2-ethene) 、 氢气 以 gas 为溶剂， 生成
  参考文献：
  名称：

  A study of the kinetics of reaction of iron tricarbonyl and Fe(CO)3(L) with hydrogen and ethene for L = hydrogen and ethene by transient Infrared spectroscopy: reactions relevant to olefin hydrogenation kinetics

  摘要：

  The reactions of Fe(CO)3 with ethylene and H-2 have been studied and rate constants for the formation of the H2Fe(CO)3 and Fe(CO)3(ethylene) complexes have been obtained. Further reactions of these unsaturated products with ethylene and H-2 respectively have been shown to lead to formation of the H2Fe(CO)3(ethylene) complex which is a crucial intermediate in the proposed mechanism for Fe(CO)3-induced hydrogenation of ethylene. The rate constants for formation of this complex from both precursors have been obtained and are reported along with the other rate constants determined in this study. Interestingly, though ethane is produced on a long time scale under the experimental conditions, H2Fe(CO)3(ethylene) is stable at room temperature in the approximately 100-mu-s observation time of these experiments. Significant differences have been observed for the rate constants of formation of the various complexes that were studied. These variations are discussed with respect to spin allowed versus disallowed reactions and the nature of the reacting ligand.

  DOI：

  10.1021/j100160a020
• 作为产物：
  描述：

  三羰基乙烯铁 以 gaseous matrix 为溶剂， 生成 Fe(CO3)3(η2-ethene)
  参考文献：
  名称：

  Ellerhorst, Gabriele; Gerhartz, Wolfgang; Grevels, Friedrich-Wilhelm, Inorganic Chemistry, 1980, vol. 19, # 1, p. 67 - 71

  摘要：

  DOI：
• 作为试剂：
  描述：

  乙烯 在 Fe(CO3)3(η2-ethene) 氢气 作用下， 以 gas 为溶剂， 生成 乙烷
  参考文献：
  名称：

  Relaxation kinetics in the homogeneous gas-phase photocatalytic hydrogenation of ethylene by Fe(CO)4(C2H4)

  摘要：

  DOI：

  10.1021/ja00328a066

文献信息

• Photochemical formation of mononuclear bis- and tris(ethylene) complexes from irradiation of iron pentacarbonyl or triruthenium dodecacarbonyl: species involved in catalytic alkene isomerization
  作者：Yee Min Wuu、James G. Bentsen、Cynthia G. Brinkley、Mark S. Wrighton

  DOI：10.1021/ic00251a010

  日期：1987.2
• Gas Phase Study of the Kinetics of Formation and Dissociation of Fe(CO)₄L and Fe(CO)₃L₂ (L = C₂H₄ and C₂F₄)
  作者：Paul G. House、Eric Weitz

  DOI：10.1021/jp970275+

  日期：1997.4.1

  The bond dissociation energy for loss of C2H4 from Fe(CO)(3)(C2H4)(2), produced by the reaction of C2H4 + Fe(CO)(3)(C2H4), has been determined as 21.3 +/- 2.0 kcal/mol. An estimate is made for a lower limit for the bond dissociation energy of Fe(CO)(4)(C2H4), which can be formed by reaction of CO + Fe(CO)(3)(C2H4) or Fe(CO)(4) + C2H4 with rate constants of (4.3 +/- 0.8) x 10(-12) and (1.7 +/- 0.2) x 10(-13) cm(3)/(molecule s) at 24 degrees C, respectively. The values for these bond dissociation energies are compared with those determined in prior studies of these systems. A new compound with infrared absorptions at 2147, 2091, and 2068 cm(-1) is best assigned as Fe(CO)(3)(C2F4)(2). A rate constant of (5.4 +/- 1.7) x 10(-12) cm(3)/(molecule s) at 24 degrees C is reported for the reaction of C2F4 with Fe(CO)(3)(C2F4) to form Fe(CO)(3)(C2F4)(2). Fe(CO)(4)(C2F4) can be formed by reaction of C2F4 and Fe(CO)(4), with a rate constant of (1.8 +/- 0.4) x 10(-14) cm(3)/(molecule s) at 24 degrees C. Infrared absorptions observed at 2135, 2074, and 2043 cm(-1) are assigned to this species. The relative stabilities of the mono- and bisethylene and perfluoroethylene compounds of iron are compared. Where possible, they are also compared to the corresponding chromium compounds and are discussed in the context of current concepts regarding metal-olefin bonding.
• Low-temperature photochemistry of tetracarbonylethyleneiron and tetracarbonylpropyleneiron. Spectroscopic observation of catalytically significant intermediates
  作者：James C. Mitchener、Mark S. Wrighton

  DOI：10.1021/ja00342a076

  日期：1983.2
• Barnhart, Terence M.; Fenske, Richard F.; McMahon, Robert J., Inorganic Chemistry, 1992, vol. 31, # 13, p. 2679 - 2681
  作者：Barnhart, Terence M.、Fenske, Richard F.、McMahon, Robert J.

  DOI：——

  日期：——