(η6-pyrene)tricarbonylchromium | 184224-48-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: (η6-pyrene)tricarbonylchromium
• 英文别名: carbon monoxide;chromium;pyrene
• CAS: 184224-48-4；12303-68-3
• 化学式: C₁₉H₁₀CrO₃
• 分子量: 338.283
• InChiKey: YBBXOMXEPRPBBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.47
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  三氟甲苯 、 (η6-pyrene)tricarbonylchromium 以 萘烷 为溶剂， 生成 (η⁶-(trifluoromethyl)benzene)tricarbonylchromium(0)
  参考文献：
  名称：

  Howell, James A. S.; Ashford, Neil F.; Dixon, Denis T., Organometallics, 1991, vol. 10, # 6, p. 1852 - 1864

  摘要：

  DOI：
• 作为产物：
  描述：

  芘 、 六羰基铬 以 further solvent(s) 为溶剂， 以45%的产率得到(η6-pyrene)tricarbonylchromium
  参考文献：
  名称：

  四种 [(η6-PAH)Cr(CO)3] 配合物（PAH = 芘、苝、屈、1,2-苯并蒽）的合成、结构和光谱表征

  摘要：

  六羰基铬与多环芳烃 (PAHs) 芘、苝、芘和 1,2-苯并蒽的热反应得到了四种 [(η6-PAH)Cr(CO)3] 型有机金属配合物，获得了前所未有的结构通过单晶 X 射线分析。Cr(CO)3 片段的配位拓扑及其相对于配位环的不对称性可能取决于保持配合配体最大芳香性的机会。DFT 计算、1H NMR、FT-IR 和拉曼光谱已被用于阐明 PAH 配体与羰基金属部分之间的相互作用类型，从而深入了解配体与金属供体的容量以及分子内和分子间相互作用。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)

  DOI：

  10.1002/ejic.200300369

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cr: Org.Verb., 1.6.1.2.7, page 258 - 289
  作者：

  DOI：——

  日期：——
• King, R. B., Diss. Harvard Univ. 1961, S. 1/117
  作者：King, R. B.

  DOI：——

  日期：——
• Deubzer, B.; Fischer, E. O.; Fritz, H. P., Chemische Berichte, 1967, vol. 100, p. 3084 - 3096
  作者：Deubzer, B.、Fischer, E. O.、Fritz, H. P.、Kreiter, C. G.、Kriebitzsch, N.、et al.

  DOI：——

  日期：——
• Chemistry of the Metal Carbonyls. IV. Reactions between Certain Metal Carbonyls and Some Condensed Polycyclic Organic Systems^1,2
  作者：R. B. King、F. G. A. Stone

  DOI：10.1021/ja01502a028

  日期：1960.9

  Molybdenum and tungsten hexacarbonyls react with 8,9-dihydroindene to give red solids of composition C9H10 center dot M(CO)(a) [M = Mo, W]. Hydrogenation studies suggest that the molybdenurn compound is cyclononatetraene-molybdenum tricarbonyl. An iron compound, an unstable yellow oil C9H10 center dot Fe(CO)(a), has also been prepared from 8,9-dihydroindene, but in this complex the organic moiety appears not to have changed to its monocyclic form. Reactions between chromium carbonyl and anthracene, phenanthrene and pyrene have been investigated. Treatment of thianaphthene with chromium carbonyl or triron dodecacarbonyl, under the appropriate conditions, affords yellow C8H6S center dot Cr(CO)(8) and red-orange (CO)(2)center dot Fe center dot C8H6S center dot Fe(CO)(a), respectively. Similarly, acenaphthylene reacts with chromium hexacarbonyl to give purple-black C12H8 center dot Cr(CO)(8), and with triiron dodecacarbonyl to give (CO)(8)Fe center dot C12H8 center dot Fe(CO)(3). The probable structures of the new compounds are discussed.
• Kinetics and mechanism of ligand substitution in [Cr(π-ligand)(CO)₃] complexes (ligand = naphthalene, pyrene, thiophene, 2,6-dimethylpyridine, or cycloheptatriene) and of fac/mer isomerization in [M(CO)₃L₃](M = Cr, Mo or W; L = phosphite, phosphine or isocyanide)
  作者：James A. S. Howell、Paul C. Yates、Neil F. Ashford、Denis T. Dixon、Richard Warren

  DOI：10.1039/dt9960003959

  日期：——

  Kinetic studies of the reaction [Cr(pi-ligand)(CO)(3)] + 3L --> [Cr(CO)(3)L(3)] + pi-ligand revealed a second-order rate law with the pi-ligand lability decreasing in the order naphthalene > thiophene > cycloheptatriene > 2,5-dimethylpyridine. In terms of the entering ligand, the rates increased in the order PrCN < P(OMe)(3) < PBu(3). Rates of intramolecular exchange in the [M(CO)(6-x)P(OMe)(3)}(x)] series increased in the order x = 3 < 1 < 2 and M = Mo < W < Cr. These results are consistent with molecular modelling of the trigonal twist pathway for [Cr(CO)(6-x)(PR(3))(x)] complexes (x = 1-3, R = H or Me).