| 374623-60-6

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基萘木脂素
• CAS: 374623-60-6
• 化学式: C₆₀F₁₈
• 分子量: 1062.63
• InChiKey: WASMACUGQBQFET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.51
• 重原子数：
  78.0
• 可旋转键数：
  0.0
• 环数：
  32.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  甲烷三羧酸三乙酯 、 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲苯 为溶剂， 以29%的产率得到triethyl [33,38-bis(1,3-diethoxy-2-ethoxycarbonyl-1,3-dioxopropan-2-yl)-23,24,25,26,27,28,41,42,47,48,49,55,56,59,60-pentadecafluoro(C60-Ih)[5,6]fulleren-1-yl]methanetricarboxylate
  参考文献：
  名称：

  A light-harvesting fluorinated fullerene donor-acceptor ensemble; long-lived charge separation

  摘要：

  在第一个基于环烯烃的供体-受体二聚体的例子中，可见光光激发产生了一个长寿命（870纳秒）的电荷分离态。

  DOI：

  10.1039/b209724a
• 作为产物：
  描述：

  足球烯 在 manganese(III) fluoride 、 potassium hexafluoronickelate(IV) 作用下， 以5.5%的产率得到
  参考文献：
  名称：

  A light-harvesting fluorinated fullerene donor-acceptor ensemble; long-lived charge separation

  摘要：

  在第一个基于环烯烃的供体-受体二聚体的例子中，可见光光激发产生了一个长寿命（870纳秒）的电荷分离态。

  DOI：

  10.1039/b209724a

文献信息

• The Remarkable Stable Emerald Green C60F15[CBr(CO2Et)2]3: The First [60]Fullerene That Is also the First [18]Trannulene
  作者：Xian-Wen Wei、Adam D. Darwish、Olga V. Boltalina、Peter B. Hitchcock、Joan M. Street、Roger Taylor

  DOI：10.1002/1521-3773(20010817)40:16<2989::aid-anie2989>3.0.co;2-0

  日期：2001.8.17

  It is both an [18]trannulene and a [60]fullerene. It is aromatic and a hexa-substituted benzene. It is formed by the first proven example of an SN 2' reaction in a fullerene. It is intensely colored and stable. It is C60 F15 [CBr(CO2 Et)2 ]3 , the first example of a new class of fullerene derivatives (see Schlegel diagram).
• Fluorinated Fullerenes:  Sources of Donor−Acceptor Dyads with [18]Trannulene Acceptors for Energy- and Electron-Transfer Reactions
  作者：Dirk M. Guldi、Massimo Marcaccio、Francesco Paolucci、Demis Paolucci、Jeff Ramey、Roger Taylor、Glenn A. Burley

  DOI：10.1021/jp053295h

  日期：2005.11.1

  Fine-tuned control over the donor strength in a series of trannulenes-based donor-acceptor ensembles is used to alter the deactivation path of the photoexcited-state chromophore and to modulate the rates of intramolecular electron transfer. For the first time, a detailed analysis of emission spectra, time-dependent spectroscopic measurements, and electrochemistry prove spectroscopically and kinetically that trannulenes can serve, in a manner similar to C-60 and C-60 monoadducts, as both electron and also as energy acceptor in donor-acceptor ensembles, producing widely different electron-transfer regimes. This investigation also shows that the integration of trannulenes, as a versatile electron-acceptor building block, consistently produces charge recombination in the inverted Marcus region.