| 1427565-08-9

• CAS: 1427565-08-9
• 化学式: CH₄O*C₂₈H₂₆Cl₃N₄PRu
• 分子量: 688.986
• InChiKey: QRLHCYPBXCVXAT-UHFFFAOYSA-K

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：

  咪唑 、 以 甲醇 、 丙酮 为溶剂， 反应 3.0h， 以68%的产率得到
  参考文献：
  名称：

  Aryldiazenido ruthenium(II) complexes. Structure and characterization of p-tolyldiazenido ruthenium(II) complexes with pyrazole and imidazole ligands

  摘要：

  The p-tolyldiazenido ruthenium(II) complexes [RuCl3(PPh3)(2)(N2PhCH3)]center dot CH3OH (1), [RuCl3(PPh3) (N2PhCH3)(HPz)] (2) and [RuCl3(PPh3)(N2PhCH3)(Im)]center dot CH3OH (3) were synthesized and characterized by IR, H-1, C-13, P-31 NMR, electronic absorption and emission spectroscopy, and X-ray crystallography. In the molecular structure of complex (1) some pi-pi stacking interactions are observed, whereas in the structure of the imidazole complex (3) graph set analysis shows intermolecular hydrogen bonded rings. The electronic structures of the complexes were calculated by DFT based on their crystal structures. The spin-allowed singlet-singlet electronic transitions of the complexes were calculated by time-dependent DFT and the UV-Vis spectra have been discussed on this basis. The emission properties of the complexes were also studied. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.12.012