2-picolynoilpyrrole-N,N-difluoroboron | 942148-59-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-picolynoilpyrrole-N,N-difluoroboron
• 英文别名: 2,2-Difluoro-3-aza-1-azonia-2-boranuidatricyclo[7.4.0.03,7]trideca-1(13),4,6,9,11-pentaen-8-one；2,2-difluoro-3-aza-1-azonia-2-boranuidatricyclo[7.4.0.03,7]trideca-1(13),4,6,9,11-pentaen-8-one
• CAS: 942148-59-6
• 化学式: C₁₀H₇BF₂N₂O
• 分子量: 219.986
• InChiKey: FCKIAVFXFCIWBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.09
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  trifluoroborane diethyl ether 、 2-picolinoylpyrrole 在 triethylamine 作用下， 以 二氯甲烷 为溶剂， 以49%的产率得到2-picolynoilpyrrole-N,N-difluoroboron
  参考文献：
  名称：

  Photophysical properties of 2-picolinoylpyrrole boron complex in solutions

  摘要：

  Photophysical properties of boron 2-picolinoylpyrrole complex (BOPPY) were investigated by UV-Vis absorption, fluorescence spectra and fluorescence lifetime measurements in various solutions. The absorption peak of BOPPY was shifted to blue with increasing the solvent polarity. The fluorescence peak, on the other hand, was shifted to red with increasing the solvent polarity. The electronic structure of BOPPY was calculated by the molecular orbital method to reveal the charge transfer character. The magnitude of change in the dipole moment was calculated by the Lippert-Mataga equation. The fluorescence lifetime and fluorescence quantum yield were measured in solvents as a function of dielectric constant. These results suggest that the BOPPY has an intramolecular charge transfer (ICT) character in the excited state. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cplett.2007.01.001

文献信息

• Photophysical properties of 2-picolinoylpyrrole boron complex in solutions
  作者：Fuyuki Ito、Takayasu Nagai、Yuki Ono、Keisuke Yamaguchi、Hiroyuki Furuta、Toshihiko Nagamura

  DOI：10.1016/j.cplett.2007.01.001

  日期：2007.2

  Photophysical properties of boron 2-picolinoylpyrrole complex (BOPPY) were investigated by UV-Vis absorption, fluorescence spectra and fluorescence lifetime measurements in various solutions. The absorption peak of BOPPY was shifted to blue with increasing the solvent polarity. The fluorescence peak, on the other hand, was shifted to red with increasing the solvent polarity. The electronic structure of BOPPY was calculated by the molecular orbital method to reveal the charge transfer character. The magnitude of change in the dipole moment was calculated by the Lippert-Mataga equation. The fluorescence lifetime and fluorescence quantum yield were measured in solvents as a function of dielectric constant. These results suggest that the BOPPY has an intramolecular charge transfer (ICT) character in the excited state. (c) 2007 Elsevier B.V. All rights reserved.