二羰基铁 | 71701-41-2

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 中文名称: 二羰基铁
• 英文名称: iron dicarbonyl
• 英文别名: Dicarbonyliron
• CAS: 71701-41-2
• 化学式: C₂FeO₂
• 分子量: 111.868
• InChiKey: AXYSDZQJEIAXBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二羰基铁 、 一氧化碳 以 gas 为溶剂， 生成 iron tricarbonyl
  参考文献：
  名称：

  The wavelength dependence of excimer laser photolysis of Fe(CO)₅ in the gas phase. Transient infrared spectroscopy and kinetics of the Fe(CO)_x (x=4,3,2) photofragments

  摘要：

  The transient infrared absorption spectra of the coordinatively unsaturated Fe(CO)x species generated via excimer laser photolysis of gas phase Fe(CO)5 are presented and discussed. The photofragments produced upon 351, 248, and 193 nm photolysis are characterized. Fe(CO)3 and Fe(CO)4 are produced upon 351 nm photolysis. In addition to these two fragments, Fe(CO)2 is produced on 248 nm photolysis. The gas phase structures of these Fe(CO)x fragments are observed to be compatible with those determined from condensed phase experiments. The coordinatively unsaturated photofragments are typically formed with significant amounts of internal excitation. The rate constants for reaction of Fe(CO)4, Fe(CO)3, and Fe(CO)2 with CO are (3.5±0.9)×1010, (1.3±0.2)×1013, and (1.8±0.3)×1013 cm3 mol−1 s−1, respectively. The large difference in the magnitude of the rate constant for reaction of Fe(CO)4 vs Fe(CO)3 and Fe(CO)2 with CO is rationalized in terms of the spin states of the reactants and products. Following 193 nm photolysis, a new product is observed which is tentatively assigned as an excited electronic state of Fe(CO)3. A photochemical scheme which accounts for all observed products is presented.

  DOI：

  10.1063/1.451141
• 作为产物：
  描述：

  五羰基铁 以>99的产率得到二羰基铁
  参考文献：
  名称：

  A crossed laser‐molecular beam study of the photodissociation dynamics of Fe(CO)₅ at 193 nm

  摘要：

  A crossed laser-molecular beam study of the photodissociation mechanism of Fe(CO)5 has been performed at 193 nm where time-of-flight measurements of the primary iron containing photofragments have been recorded under collision free conditions. The center-of-mass velocity distributions derived from the TOF data by the method of moments show that Fe(CO)2 accounts for >99% of all photoproducts formed after absorption of one photon. The only mechanism which quantitatively reproduces the measured velocity distributions is a sequence of three, uncorrelated, statistical CO eliminations. At high photon flux, a second photon can be absorbed by the Fe(CO)2 photofragment which decomposes by an uncorrelated sequential elimination of the remaining two CO ligands.

  DOI：

  10.1063/1.454845

文献信息

• Matrix Isolation of Electron Bombarded Gases Containing Fe(CO)₅: An FTIR Absorption Study of Neutral and Anion Decomposition Products
  作者：J. Mark Parnis、Matthew G. K. Thompson、Lisa M. Ashenhurst

  DOI：10.1021/jp030525o

  日期：2003.9.1

  found to stimulate loss of Fe(CO) 4 to form Fe(CO) 5 by photoinduced CO recombination. Further irradiation with UV-visible light resulted in additional loss of Fe(CO) 5 and Fe(CO) 4 -, and loss of features attributed to CO perturbed by Fe(CO) 4 -, with concomitant production of Fe(CO) 4 . The mechanism for formation of these products and the efficiency of ion trapping was further investigated through electron

  Fe(CO) 5 被用作在电子轰击、基质分离光谱(EBMIS) 条件下低温基质中阳离子和阴离子捕获效率的探针。含有 Fe(CO) 5 (1: 1000-3000; Fe:Ar) 的 Ar 气体在 16 K 光谱窗口上方受到 150-300 eV 电子的电子轰击。基质分离产物的 FTIR 光谱分析表明存在已知的中性和阴离子亚羰基物质 Fe(CO) n (n = 2、3 和 4) 和 Fe(CO) m - (m = 3 和 4) . 中性和阴离子的产率随着羰基配体数量的减少而显着降低。Ar 中的退火研究表明 Fe(CO) 4 和 Fe(CO) 4 - 容易转化为高核铁多羰基化合物，包括 Fe 2 (CO) 9 。发现在 Ar 中用电子轰击 Fe(CO) 5 样品的可见光照射会刺激 Fe(CO) 4 损失，通过光诱导 CO 重组形成 Fe(CO) 5。用紫外-可见光进一步照射导致 Fe(CO) 5
• Reaction kinetics of coordinatively unsaturated iron carbonyls formed on gas-phase excimer laser photolysis of iron pentacarbonyl
  作者：Robert J. Ryther、Eric Weitz

  DOI：10.1021/j100177a043

  日期：1991.11

  The reactions of species produced on gas-phase excimer laser photolysis of Fe(CO)5 have been followed by transient infrared spectroscopy employing a diode laser probe. The initial photoproducts formed on 193-nm photolysis are identified as Fe(CO)2 and a product that is most likely Fe(CO). Both Fe(CO)2 and Fe(CO)3 are produced on 248-nm photolysis. Photolysis at 351 nm leads to the production of both Fe(CO)3 and Fe(CO)4. Species best assigned as excited states of Fe(CO)3 and Fe(CO)4 are observed to form as initial photoproducts following 248- and 351-nm photolysis, respectively. The magnitudes of the rate constants for reaction of the various coordinatively unsaturated metal carbonyls formed in this study with parent Fe(CO)5 or CO (summarized in Table I) are consistent with the hypothesis that spin-allowed reactions will be rapid while spin-disallowed reactions will be considerably slower. To provide further data in testing this hypothesis, the reaction of Fe(CO)4 with both O2 and H-2 has been measured.
• Diode laser probes of the product distribution of coordinatively unsaturated iron carbonyls produced following excimer laser photolysis of iron pentacarbonyl in the gas phase
  作者：Robert J. Ryther、Eric Weitz

  DOI：10.1021/j100185a031

  日期：1992.3

  The distributions of photoproducts created by single photon photolysis of Fe(CO)5 at 193, 248, and 351 nm have been determined by using a tunable infrared diode laser to monitor the concentration of Fe(CO)5 consumed in reactions with each photoproduct. The relative concentrations of the iron carbonyl photofragments that form are as follows: on 193-nm photolysis, 90 +/- 5% Fe(CO)2 and 10 +/- 5% Fe(CO); on 248-nm photolysis, 64 +/- 7% Fe(CO)3 and 36 +/- 7% Fe(CO)2; and on 351-nm photolysis, 39 +/- 5% Fe(CO)4 and 61 +/- 5% Fe(CO)3. A pressure dependence of the 248-nm product yield is observed, and the reported branching ratio is for 3 Torr of total pressure. Peak absorption coefficients of these species are reported. In addition to these products, which are produced in their ground electronic states, species best assigned as excited electronic states of Fe(CO)4 and Fe(CO)3 are produced following 351- and 248-nm photolysis, respectively. These product distributions are compared to those reported in other studies, and evidence is presented that for at least some of the wavelengths employed in this study the dissociation of Fe(CO)5 involves multiple potential energy surfaces.
• Reactions of laser-ablated iron atoms and cations with carbon monoxide: Infrared spectra of FeCO+, Fe(CO)2+, Fe(CO)x, and Fe(CO)x− (x=1–4) in solid neon
  作者：Mingfei Zhou、Lester Andrews

  DOI：10.1063/1.478970

  日期：1999.6

  Laser-ablated iron atoms, cations, and electrons have been reacted with CO molecules during condensation in excess neon. The FeCO molecule is observed at 1933.7 cm−1 in solid neon. Based on isotopic shifts and density functional calculations, the FeCO molecule has the same Σ−3 ground state in solid neon that has been observed at 1946.5 cm−1 in a recent high resolution gas phase investigation [Tanaka et al., J. Chem. Phys. 106, 2118 (1997)]. The C–O stretching vibration of the Fe(CO)2 molecule is observed at 1917.1 cm−1 in solid neon, which is in excellent agreement with the 1928.2 cm−1 gas phase value for the linear molecule. Anions and cations are also produced and trapped, absorptions at 1782.0, 1732.9, 1794.5, and 1859.7 cm−1 are assigned to the linear FeCO−, Fe(CO)2−, trigonal planar Fe(CO)3−, and C3v Fe(CO)4− anions, respectively, and 2123.0, 2134.0 cm−1 absorptions to the linear FeCO+ and Fe(CO)2+ cations. Doping these experiments with CCl4 virtually eliminates the anion absorptions and markedly increases the cation absorptions, which confirms the charge identifications. Higher iron carbonyl Fe(CO)3, Fe(CO)4, and Fe(CO)5 absorptions are produced on photolysis.
• Photofragment spectroscopy of metal carbonyls: a molecular beam study of iron pentacarbonyl photolysis at 193 nm
  作者：I. M. Waller、H. F. Davis、J. W. Hepburn

  DOI：10.1021/j100287a003

  日期：1987.1