(4-Ethoxycarbonyl-3,3-dimethyl-2-oxo-butyl)-dimethyl-sulfonium; bromide | 195453-95-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: (4-Ethoxycarbonyl-3,3-dimethyl-2-oxo-butyl)-dimethyl-sulfonium; bromide
• 英文别名: (5-Ethoxy-3,3-dimethyl-2,5-dioxopentyl)(dimethyl)sulfanium bromide；(5-ethoxy-3,3-dimethyl-2,5-dioxopentyl)-dimethylsulfanium;bromide
• CAS: 195453-95-3
• 化学式: Br*C₁₁H₂₁O₃S
• 分子量: 313.256
• InChiKey: NNVVARMGGUIWCC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.58
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  足球烯 、 (4-Ethoxycarbonyl-3,3-dimethyl-2-oxo-butyl)-dimethyl-sulfonium; bromide 在 四丁基溴化铵 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Quantitative Spectroscopic Studies of the Photoexcited State Properties of Methano- and Pyrrolidino-[60]fullerene Derivatives

  摘要：

  UV/vis absorption and fluorescence spectra and fluorescence quantum yields and lifetimes of a series of methano- and pyrrolidino-[60]fullerene derivatives in different solvents are studied systematically. The absorption and fluorescence properties of the derivatives with different substituents are somewhat different from those of [60]fullerene, but very similar among themselves, indicating that the low-lying transitions and the photoexcited state processes are dictated by the electronic structures of functionalized [60]fullerene cages. The results also allow an examination of the issue concerning discrepancies between experimentally determined transition probabilities and those calculated in terms of the Strickler-Berg equation for fullerene molecules. In addition, quenchings of the excited singlet states of the [60]fullerene derivatives by electron donor N,N-diethylaniline (DEA) and the formation of emissive fullerene-DEA exciplexes in solvents of different polarities are investigated.

  DOI：

  10.1021/jp971067k

文献信息

• Quantitative Spectroscopic Studies of the Photoexcited State Properties of Methano- and Pyrrolidino-[60]fullerene Derivatives
  作者：Bin Ma、Christopher E. Bunker、Radhakishan Guduru、Xian-Fu Zhang、Ya-Ping Sun

  DOI：10.1021/jp971067k

  日期：1997.7.1

  UV/vis absorption and fluorescence spectra and fluorescence quantum yields and lifetimes of a series of methano- and pyrrolidino-[60]fullerene derivatives in different solvents are studied systematically. The absorption and fluorescence properties of the derivatives with different substituents are somewhat different from those of [60]fullerene, but very similar among themselves, indicating that the low-lying transitions and the photoexcited state processes are dictated by the electronic structures of functionalized [60]fullerene cages. The results also allow an examination of the issue concerning discrepancies between experimentally determined transition probabilities and those calculated in terms of the Strickler-Berg equation for fullerene molecules. In addition, quenchings of the excited singlet states of the [60]fullerene derivatives by electron donor N,N-diethylaniline (DEA) and the formation of emissive fullerene-DEA exciplexes in solvents of different polarities are investigated.