1,4-bis(4-cyanophenyldimethylsilyl)benzene | 1309596-47-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,4-bis(4-cyanophenyldimethylsilyl)benzene
• 英文别名: CPDMB；4-[[4-[(4-Cyanophenyl)-dimethylsilyl]phenyl]-dimethylsilyl]benzonitrile；4-[[4-[(4-cyanophenyl)-dimethylsilyl]phenyl]-dimethylsilyl]benzonitrile
• CAS: 1309596-47-1
• 化学式: C₂₄H₂₄N₂Si₂
• 分子量: 396.639
• InChiKey: SZSUCXPJUAVSNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.08
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-溴苯腈 、 1,4-双(二甲基氯甲硅烷基)苯 在 正丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 2.5h， 以80.8%的产率得到1,4-bis(4-cyanophenyldimethylsilyl)benzene
  参考文献：
  名称：

  Fluorescence self-quenching and charge transfer of a novel A-σ-π-σ-A type of silicon-bridged compound

  摘要：

  A novel A-sigma-pi-sigma-A type of silicon-bridged compound, 1,4-bis(cyanophenyldimethylsilyl)benzene (CPDMB), was synthesized and fully characterized by FT-IR, H-1 NMR, C-13 NMR, HRMS, and single crystal X-ray diffraction. Ultraviolet properties and steady-state fluorescence of CPDMB were studied. The concentration self-quenching phenomena of CPDMB were found in 2-propanol, THF. and CH2Cl2. It can be well interpreted by photoinduced self-assembly behavior (J-aggregate) of the CPDMB in solvents. Moreover, the effects of solvents on the fluorescence self-quenching phenomena were also investigated. In order to interpret the novel photoelectric properties of CPDMB, DFT calculations on gas phase CPDMB were carried out. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2010.07.002

文献信息

• Fluorescence self-quenching and charge transfer of a novel A-σ-π-σ-A type of silicon-bridged compound
  作者：Peng Wang、Sheng-Yu Feng

  DOI：10.1016/j.jphotochem.2010.07.002

  日期：2010.8

  A novel A-sigma-pi-sigma-A type of silicon-bridged compound, 1,4-bis(cyanophenyldimethylsilyl)benzene (CPDMB), was synthesized and fully characterized by FT-IR, H-1 NMR, C-13 NMR, HRMS, and single crystal X-ray diffraction. Ultraviolet properties and steady-state fluorescence of CPDMB were studied. The concentration self-quenching phenomena of CPDMB were found in 2-propanol, THF. and CH2Cl2. It can be well interpreted by photoinduced self-assembly behavior (J-aggregate) of the CPDMB in solvents. Moreover, the effects of solvents on the fluorescence self-quenching phenomena were also investigated. In order to interpret the novel photoelectric properties of CPDMB, DFT calculations on gas phase CPDMB were carried out. (C) 2010 Elsevier B.V. All rights reserved.