(η5-C5H5)Ni(P(C6H5)3)2 | 79361-90-3

• 英文名称: (η5-C5H5)Ni(P(C6H5)3)2
• 英文别名: (η5-cyclopentadienyl)nickel(I)(triphenylphosphine)2；CpNi(PPh3)2
• CAS: 79361-90-3
• 化学式: C₄₁H₃₅NiP₂
• 分子量: 648.366
• InChiKey: LTEBJKTWOONWMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (η5-C5H5)Ni(P(C6H5)3)2 以 neat (no solvent) 为溶剂， 生成 nickelocene
  参考文献：
  名称：

  Electron paramagnetic resonance studies of the 19-electron complexes, (η5-C5H5)NiL2 (L = PR3, P(OR)3)

  摘要：

  DOI：

  10.1016/s0277-5387(00)86237-3
• 作为产物：
  描述：

  在 (C₅H₅)Na 作用下， 以 四氢呋喃 为溶剂， 以67%的产率得到(η5-C5H5)Ni(P(C6H5)3)2
  参考文献：
  名称：

  Cyclopentadienylbis(ligand)nickel(I): synthesis and characterization, including the x-ray structure of .eta.5-cyclopentadienyl-1,1'-bipyridylnickel(I). Observations on the mechanism of substitution of nickelocene

  摘要：

  DOI：

  10.1021/ja00410a044

文献信息

• Synthesis and reactions of nickel and palladium carbon-bound enolate complexes
  作者：Elizabeth R. Burkhardt、Robert G. Bergman、Clayton H. Heathcock

  DOI：10.1021/om00115a007

  日期：1990.1
• EPR study of (η5-cyclopentadienyl)nickel(I) complexes with P-and N-Donor ligands and 1,5-cyclooctadiene
  作者：V. V. Saraev、P. B. Kraikivskii、S. N. Zelinskii、A. I. Vil’ms、D. A. Matveev、A. Yu. Yunda、A. A. Fedonina、K. Lammertsma

  DOI：10.1134/s1070328406060029

  日期：2006.6

  Mononuclear (eta(5)-cyclopentadienyl)nickel(l) complexes with triphenylphosphine, triethylphosphite, 2,2'-bipyridyl, and 1,5-cyclooctadiene formed in the course of reduction of nickelocene were studied by EPR method. Monocyclopentadienyl Ni(I) complexes of the composition CpNiL2 were shown to form during nickelocene reduction irrespective of the method applied (the use of organometallic compound, alkali metal, thermal conditions) in the presence of stabilizing ligands L (L = PPh3, P(OEt)(3), Bipy/2, COD/2) and in the course of contradisproportionation reaction between nickelocene and the corresponding NiL4 complex. It was found that in the structure of these CpNiL2 Complexes (L = PPh3, P(OEt)(3), Bipy/2), the main molecular axis is perpendicular to the L-Ni-L plane and these complexes should be considered as derivatives of trigonal structures of D-3h symmetry distorted by Cp ligand. In CpNi(COD) complex, the main axis passes through the Cp-ring center and this complex should be treated as a derivative of pentagonal structure of C-5V symmetry distorted by COD ligand. Nonequivalence of P-31 nuclei results from vibronic interaction effect in tricoordinate structures in pseudodegenerate electron state (Jahn-Teller effect).
• Cyclotrimerization and linear oligomerization of phenylacetylene on the nickel(I) monocyclopentadienyl complex CpNi(PPh3)2
  作者：V. V. Saraev、P. B. Kraikivskii、A. I. Vilms、S. N. Zelinskii、A. Yu. Yunda、E. N. Danilovtseva、A. S. Kuzakov

  DOI：10.1134/s002315840706002x

  日期：2007.11

  The reactions of the CpNi(PPh3)(2) monocyclopentadienyl complex with phenylacetylene and diphenylacetylene in toluene have been studied by ESR. When an alkyne is in twofold molar excess over nickel, it substitutes rapidly for PPh3 ligands to form the bisalkyne pi complex CpNi(eta(2)-C2PhR)(2), where R = H or Ph. In the case of phenyl acetylene, two structural isomers of the Ni(I) pi complex have been identified. Irreversible clustering occurs in the system as time passes. When phenylacetylene is in excess, it oligomerizes actively at ambient temperature. The composition of the oligomerization products depends substantially on the reaction temperature: at T = 20 degrees C, the main product is 1,2,4-triphenylbenzene (97 % of the conversion products); at T = 40 degrees C, the main products are linear oligomers with an average molecular weight of 1050. The formation and stabilization of active complexes in the system take place when the substrate is in excess. Phenylacetylene trimerization and linear oligomerization schemes in which the Ni(I) monocyclopentadienyl complex stabilized by substrate molecules is the active species are suggested.