| 155774-80-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 155774-80-4
• 化学式: C₁₂₀
• 分子量: 1441.32
• InChiKey: QSZGYCFVLZAYDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  31.7
• 重原子数：
  120
• 可旋转键数：
  0
• 环数：
  65.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  以 solid 为溶剂， 生成 足球烯
  参考文献：
  名称：

  Determination of the Thermal Stability of the Fullerene Dimers C₁₂₀, C₁₂₀O, and C₁₂₀O₂

  摘要：

  We have produced the fullerene dimers C-120, C120O, and C120O2 by a high-speed vibration milling technique. The thermal stability of C-120, C120O, and C120O2 has been studied in the temperature range 150-350 degrees C for up to 4 h under vacuum. The bridging oxygen atoms were found to substantially increase the stability of the fullerene dimer molecules.

  DOI：

  10.1021/jp062506v
• 作为产物：
  描述：

  以 solid 为溶剂， 生成
  参考文献：
  名称：

  High yield selective synthesis of C60 dimers

  摘要：

  在 5 GPa 和 200 °C 下挤压有机分子晶体 (ET)2C60，然后去除未反应的 ET 分子，可产生 C60 二聚体，产率约为 80%。

  DOI：

  10.1039/a802382d

文献信息

• A Supramolecular Oscillator Composed of Carbon Nanocluster C₁₂₀ and a Rhodium(III) Porphyrin Cyclic Dimer
  作者：Kentaro Tashiro、Yusuke Hirabayashi、Takuzo Aida、Kazuhiko Saigo、Koichi Fujiwara、Koichi Komatsu、Shigeru Sakamoto、Kentaro Yamaguchi

  DOI：10.1021/ja0264450

  日期：2002.10.1

  A rhodium(III) porphyrin cyclic dimer (1) included carbon nanocluster C120 (2) to form a pi-electronic supramolecular complex (1 superset2), in which 2 oscillated back and forth within its cavity. Spectroscopic titration of 1 with 2 and line shape analysis on variable-temperature 1H NMR spectral profiles of 1 superset2 and reference inclusion complexes in toluene-d8, chlorobenzene-d5, and dichlorobenzene-d4 indicated that the association constant (Kassoc) of 1 superset2 and oscillation activity of included 2 are both larger as the affinity of the solvent toward fullerenes is smaller. The DeltaS values for the oscillation were all positive, indicating that the oscillation of 2 involves desolvation of a protruding C60 moiety of included 2 from the host cavity.
• Raman scattering study of C120, a C60 dimer
  作者：S. Lebedkin、A. Gromov、S. Giesa、R. Gleiter、B. Renker、H. Rietschel、W. Krätschmer

  DOI：10.1016/s0009-2614(98)00030-x

  日期：1998.3

  A modified preparation method and results of a Raman scattering study for C-120, a dimer of C-60, are reported. The Raman features of C-120 are compared with those of the dimer-like oxides C120O and C120O2, phototransformed C-60 and with calculations. (C) 1998 Elsevier Science B.V.
• Structure and Properties of the Fullerene Dimer C₁₄₀ Produced by Pressure Treatment of C₇₀
  作者：Sergei Lebedkin、William E. Hull、Alexander Soldatov、Burkhard Renker、Manfred M. Kappes

  DOI：10.1021/jp994330l

  日期：2000.5.4

  A [2+2] cycloaddition cap-to-cap C-70 dimer with C-2h molecular symmetry was synthesized in high yield by pressure treatment of polycrystalline C-70 ar I Cpa and 200 degrees C. It was separated from unreacted monomers by chromatography and characterized by C-13 NMR, Raman, and infrared spectroscopy, and other methods. Remarkably, only one isomer was produced out of the five possible [2+2] cycloaddition products which have equally low formation energies according to semiempirical modeling calculations, The dimer obtained is the one favored when C-70 molecules adopt an ordered packing with parallel D-5 axes. The intercage bonding in C-140, its thermal stability, and inter-cage vibrational modes are similar to those found for the C-60 dimer, C-120 Both dimers photodissociate to the monomers in solution, probably via excited tripler states. The UV absorption and fluorescence properties of C-140 are not very different from those of C-70, suggesting only weak electronic interactions between the two cages of C-140 In comparison, the pressure-induced dimerization of C-60, under the conditions used fur C-70, results mainly in C-60 oligomers and polymeric chains, but the dimer C-120 could be isolated at low yield when short reaction times (less than or equal to 5 min) were used.
• Far-infrared vibrational properties of high-pressure high-temperature<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>60</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>polymers and the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>60</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>dimer
  作者：V. C. Long、J. L. Musfeldt、K. Kamarás、G. B. Adams、J. B. Page、Y. Iwasa、W. E. Mayo

  DOI：10.1103/physrevb.61.13191

  日期：——

  We report high-resolution far-infrared transmission measurements of the 2 + 2 cycloaddition C-60 dimer and two-dimensional rhombohedral and one-dimensional orthorhombic high-pressure high-temperature C60 polymers. In the spectral region investigated(20-650 cm(-1)), we see no low-energy interball modes, but symmetry breaking of the linked C-60 balls is evident in the complex spectrum of intramolecular modes. Experimental features suggest large splittings or frequency shifts of some IhC60-derived modes that are activated by symmetry reduction, implying that the balls are strongly distorted in these structures. We have calculated the vibrations of all three systems by first-principles quantum molecular dynamics and use them to assign the predominant IhC60 symmetries of observed modes. Pur calculations show unprecedentedly large downshifts of T-1u(2)-derived modes and extremely large splittings of other modes, both of which are consistent with the experimental spectra. For the rhombohedral and orthorhombic polymers, the T-1u(2)-derived mode that is polarized along the bonding direction is calculated to downshift below any T-1u(1)-derived modes. We also identify a previously unassigned feature near 610 cm(-1) in all three systems as a widely split or shifted mode derived from various silent IhC60 vibrations, confirming a strong perturbation model for these linked fullerene structures.
• Determination of the Thermal Stability of the Fullerene Dimers C₁₂₀, C₁₂₀O, and C₁₂₀O₂
  作者：Jinying Zhang、Kyriakos Porfyrakis、Mark R. Sambrook、Arzhang Ardavan、G. Andrew D. Briggs

  DOI：10.1021/jp062506v

  日期：2006.8.1

  We have produced the fullerene dimers C-120, C120O, and C120O2 by a high-speed vibration milling technique. The thermal stability of C-120, C120O, and C120O2 has been studied in the temperature range 150-350 degrees C for up to 4 h under vacuum. The bridging oxygen atoms were found to substantially increase the stability of the fullerene dimer molecules.