| 724703-32-6

• CAS: 724703-32-6
• 化学式: C₂₀H₁₅Cl₂O₂PRuS
• 分子量: 522.354
• InChiKey: IJQZMQSNKOINCO-UHFFFAOYSA-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：

  dicarbonyldichlororuthenium 、 三苯基瞵硫 以 甲醇 、 二氯甲烷 为溶剂， 以96%的产率得到
  参考文献：
  名称：

  Ruthenium(II) carbonyl complexes containing tertiary phosphine chalcogenide ligands of the type Ph3PX; X=O, S, Se

  摘要：

  The reactions of polymeric complex [Ru(CO)(2)Cl-2](n) with triphenyl phosphine chalcogenide ligands Ph3PX; X = O(a), S(b), Se(c) in 1:1 (Ru:L ratio) molar ratio gives five-coordinate complexes of the type [Ru(CO)(2)Cl-2(Ph3PX)](1a-c) while 1:2 (Ru:2L ratio) molar ratio produces six-coordinate [RU(CO)(2)Cl-2(Ph3PX)(2)](2a-c) complexes. The complexes 1a-c and 2a-c exhibit two equally intense nu(CO) bands in the range 2059-1989 and 2050-1980 cm(-1), respectively, indicating cis-disposition of the two terminal carbonyl groups. The values of nu(CO) frequencies irrespective of the complexes, in general, follow the order: Ph3PO > Ph3PS > Ph3PSe which may be ascribed in terms of "Soft-Hard" (Ru(II)-O) and "Soft-Soft" (Ru(II)-S/Se) interactions. The nu(PX) bands of the complexes observed in the range 1173-538 cm(-1) are 19-41 cm(-1) lower than those of the corresponding free ligands indicating the formation of Ru-X bonds. The molecular structure of the complex [Ru(CO)(2)Cl-2(Ph3PS)(2)] was determined by single X-ray crystallography. The crystal is monoclinic, space group Cc; a = 11.4990 Angstrom. b = 17.3966 Angstrom, c = 18.4788 Angstrom; alpha = 90degrees, beta = 98.160degrees, 90degrees. In the molecule, the Ru(II) atom occupies the center of a slightly distorted octahedral geometry which consists of two trans-S atoms of two Ph3PS ligands, two cis-CO groups and two cis-chlorides. The complexes have also been characterized by elemental analysis, H-1, C-13 and P-31 NMR spectroscopy. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.03.016