| 378249-67-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 378249-67-3
• 化学式: C₆₃H₆O
• 分子量: 778.74
• InChiKey: XNEGJKXNJYTMQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.45
• 重原子数：
  64.0
• 可旋转键数：
  0.0
• 环数：
  33.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  2-carboxydecylsulfanyl-3-methylsulfanyl-6,7-dipentylsulfanyltetrathiafulvalene 、 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以80%的产率得到
  参考文献：
  名称：

  Novel C₆₀-Based Building Blocks Derived from C₆₀^2- Anion

  摘要：

  [GRAPHICS]Reactions of chemically generated C-60(2-) dianion with halo derivatives bearing a second functional group (halo, ester, ketone) give rise to new organo C-60 derivatives. Thus, the regioselective formation of 1,2- and 1,4-adducts is observed from long-chain halo derivatives, whereas using 1,3-dihaloalkanes leads to 1,2-fused ring C-60 adducts. Such adducts may be used as new synthons in C-60 chemistry, thus leading to new C-60-based dyads, as exemplified by two examples.

  DOI：

  10.1021/ol0101786
• 作为产物：
  描述：

  在 二异丁基氢化铝 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以50%的产率得到
  参考文献：
  名称：

  Novel C₆₀-Based Building Blocks Derived from C₆₀^2- Anion

  摘要：

  [GRAPHICS]Reactions of chemically generated C-60(2-) dianion with halo derivatives bearing a second functional group (halo, ester, ketone) give rise to new organo C-60 derivatives. Thus, the regioselective formation of 1,2- and 1,4-adducts is observed from long-chain halo derivatives, whereas using 1,3-dihaloalkanes leads to 1,2-fused ring C-60 adducts. Such adducts may be used as new synthons in C-60 chemistry, thus leading to new C-60-based dyads, as exemplified by two examples.

  DOI：

  10.1021/ol0101786

文献信息

• Photoinduced electron-transfer processes in C₆₀-tetrathiafulvalene dyads containing a short or long flexible spacer
  作者：Emmanuel Allard、Jack Cousseau、Jesus Ordúna、Javier Garín、Hongxia Luo、Yasuyuki Araki、Osamu Ito

  DOI：10.1039/b206668h

  日期：——

  Intramolecular photoinduced charge-separation and charge-recombination processes in two C60-spacer-TTF dyads, in which C60 and TTF (tetrathiafulvalene) are connected through a flexible spacer of different lengths, have been investigated in polar solvents by time-resolved absorption and fluorescence techniques. Weak interaction between the C60-moiety and TTF-moiety in the ground state was suggested by the steady-state absorption spectra; the dyad with the shorter spacer shows slightly stronger interaction than that with the longer spacer. The observed short fluorescence lifetimes of these dyads, compared with that of their precursor fullerene derivative in THF and benzonitrile indicate that the charge separation takes place via the singlet excited state of the C60-moiety, producing the ion pairs (C60˙−-spacer-TTF˙+) as shown from the transient absorption spectra in the 800–1100 nm region. In polar benzonitrile solvent, the ion-pair state with the long flexible chain shows longer lifetime than that with the short chain, suggesting that weaker interaction between C60 and TTF moieties is preferred to the long ion-pair lifetime. These observations were compared with other reported data for C60-TTF dyads.

  通过时间分辨吸收和荧光技术，在极性溶剂中对两个C60-间隔-TTF二聚体（其中C60和TTF（四硫富瓦烯）通过不同长度的柔性间隔连接）中的分子内光诱导电荷分离和电荷复合过程进行了研究。稳态吸收光谱表明，C60-部分和TTF-部分在基态下存在弱相互作用；间隔较短的二聚体比间隔较长的二聚体表现出更强的相互作用。与它们在THF和苯腈中的前体富勒烯衍生物相比，这些二聚体观察到的短荧光寿命表明，电荷分离通过C60-部分的单线态激发态发生，产生离子对（C60˙-间隔-TTF˙+），如800-1100 nm区域中的瞬态吸收光谱所示。在极性苯腈溶剂中，长柔性链的离子对状态比短链的离子对状态具有更长的寿命，这表明C60和TTF部分之间的弱相互作用比长的离子对寿命更可取。将这些观察结果与C60-TTF二聚体的其他报告数据进行了比较。