| 1415558-73-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• CAS: 1415558-73-4
• 化学式: BF₄*C₅₄H₄₂CuN₂P₂
• 分子量: 931.239
• InChiKey: KDFUPKSKEHMBOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  tetrakis(triphenylphosphine)copper(I) tetrafluoroborate 、 4,7-Diethynyl-2,9-dimethyl-1,10-phenanthroline 以 乙醚 、 乙醇 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Synthesis, crystal structure, and conjugation properties of phenanthroline copper phosphine complexes

  摘要：

  Facial synthetic method of 4,7-position conjugation extended phenanthrolines and X-ray structure of copper phosphine phenanthroline complexe were reported. The crystal structures showed pi-stacking and hydrogen bonding, and a small torsional angle between phen and phenylacetylene. These complexes exhibited strong conjugation dependant MLCT luminescence. The electronic and fluorescence spectra displayed a gradual red shift of the MLCT band as the conjugation increased. The presence of the phenyl groups reduced the energy of the pi* state in the d-pi* MLCT transition, allowing for the red shift. The electron-donating tri-isopropylsilyl (TIPS) groups on the ethynyl moiety increased the energy of the MLCT charge vector, allowing for the blue shift at the luminescence. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.09.028