trans-[RuCl2(1-(4-phenylimino)-1-(phenylhydrazono)propan-2-one)(1,10-phenanthroline)] | 1083078-60-7

• 英文名称: trans-[RuCl2(1-(4-phenylimino)-1-(phenylhydrazono)propan-2-one)(1,10-phenanthroline)]
• CAS: 1083078-60-7
• 化学式: C₂₇H₂₁Cl₂N₅ORu
• 分子量: 603.473
• InChiKey: HIKABWZLONGYNE-WVXMWKIZSA-L

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：

  1,10-菲罗啉 、 水合三氯化钌 、 1-(4-phenylamino)-1-(phenylhydrazono)propan-2-one 在 LiCl 作用下， 以 乙醇 为溶剂， 以40%的产率得到trans-[RuCl2(1-(4-phenylimino)-1-(phenylhydrazono)propan-2-one)(1,10-phenanthroline)]
  参考文献：
  名称：

  Synthesis, structural characterization, and DFT investigation of azoimine–ruthenium complexes containing aromatic-nitrogen ligands

  摘要：

  Seven ruthenium(II) complexes continuing substituted diimine ligands and the azoimine ligand (Az: C6H5N=NC(COCH3)=NC6H5) are synthesized and characterized. trans-[Ru(II)(Az)(L)Cl-2] [L = 2,2'-bipyridine (bpy) 1, 4,4'-dimethyl-2,2'-bipyridine (dmb) 2, 4,4'-dimethoxy-2,2'-bipyridine (dmeb) 3, 4,4'-di-tertbutyl-2,2'-bipyridine (dtb) 4, 1,10-phenanthroline (phen) 5, 5-amino-1,10-phenanthroline (NH(2)phen) 6, 5-chlorophenanthroline (Clphen) 7, 3,4,7,8-tetramethyl-1,10-phenanthroline (tmphen) 81 are made by the reaction of RuCl3 hydrate and the ligands in the presence of LiCl. These complexes have been characterized by cyclic voltammetry, UV-Vis spectroscopy, electrochemical measurements and Xray diffraction analysis for 2 and 5. The electrochemical parameters (E-L(L)) of the substituted diimine ligands (L) are reported. The absorption spectrum of 5 in acetonitrile has been modeled by time-dependent density functional theory (TD-DFT) using a hybrid functional, B3LYP, as well as the LanL2DZ basis set. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.07.033