Ru(octa-β-chlorotetrakis(pentafluorophenyl)porphyrinate)(CO)(H2O) | 161405-59-0

• 英文名称: Ru(octa-β-chlorotetrakis(pentafluorophenyl)porphyrinate)(CO)(H2O)
• CAS: 161405-59-0
• 化学式: C₄₅H₂Cl₈F₂₀N₄O₂Ru
• 分子量: 1395.2
• InChiKey: BUAAIGGTXTZGKC-ABDSTYFTSA-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

• 作为反应物：
  描述：

  吡啶 、 Ru(octa-β-chlorotetrakis(pentafluorophenyl)porphyrinate)(CO)(H2O) 以 吡啶 为溶剂， 生成 (2,3,7,8,12,13,17,18-octa-β-chloro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato)ruthenium(II)bis(pyridine)
  参考文献：
  名称：

  19F NMR Spectra and Structures of Halogenated Porphyrins

  摘要：

  Fluorine-19 NMR spectra of a series of halogenated porphyrins have been used to create a spectral library of different types of fluorine splitting patterns for tetrakis(pentafluorophenyl) porphyrins (TFPP) complexed with diamagnetic and paramagnetic metal ions. The paramagnetic shift, line broadening, and fine structure of the resonances from the peripheral pentafluorophenyl rings are dependent on the symmetry and core environment of the porphyrin macrocycles. In combination with crystal structure data, F-19 NMR helps define the behavior of halogenated porphyrins in solution. Six new crystal structures for TFPP and octahalo-TFPP derivatives are reported: H2TFPP in rhombohedral space group R (3) over bar, a = 20.327(4) Angstrom, c = 24.368(5) Angstrom, V = 8720(3) Angstrom(3), Z = 9; ZnTFPP in monoclinic space group P2(1)/c, a = 12.653(4) Angstrom, b = 11.883(5) Angstrom, c = 15.261(2) Angstrom, beta = 103.87(2)degrees, V = 2227.6(13) Angstrom(3), Z = 2; CuTFPP in rhombohedral space group R (3) over bar, a = 20.358(5), c = 24.347(6) Angstrom, V = 8739(4) Angstrom(3), Z = 9; H2TFPPCl8 in triclinic space group P (1) over bar, a = 11.066(1) Angstrom, b = 14.641(3) Angstrom, c = 14.678(2) Angstrom, alpha = 88.97(1), beta = 76.05(1)degrees, gamma = 71.29(1)degrees, V = 2181.4(6) Angstrom(3), Z = 2; ZnTFPPCl8 in tetragonal space group P (4) over bar 2(1)c, a = 19.502(20), c = 10.916(8) Angstrom, V = 4152(6) Angstrom(3), Z = 2; H2TFPPBr8 in monoclinic space group C2, a = 27.634(6) Angstrom, b = 6.926(2) Angstrom, c = 14.844(3) Angstrom, beta = 109.64(2)degrees, V = 2675.8(11) Angstrom(3), Z = 2.

  DOI：

  10.1021/ic00118a010
• 作为产物：
  描述：

  Ru(octa-β-chlorotetrakis(pentafluorophenyl)porphyrinate)(CO) 、 水 以 正己烷 、 乙酸乙酯 为溶剂， 生成 Ru(octa-β-chlorotetrakis(pentafluorophenyl)porphyrinate)(CO)(H2O)
  参考文献：
  名称：

  Birnbaum, Eva R.; Schaefer, William P.; Labinger, Jay A., Inorganic Chemistry, 1995, vol. 34, # 7, p. 1751 - 1755

  摘要：

  DOI：