[Ru(II)Cl(NC5H5)(PPh2(CH2)3-η6-C6H5)][PF6] | 500136-85-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Ru(II)Cl(NC5H5)(PPh2(CH2)3-η6-C6H5)][PF6]
• 英文别名: chlororuthenium(1+);diphenyl(3-phenylpropyl)phosphane;pyridine;hexafluorophosphate
• CAS: 500136-85-6
• 化学式: C₂₆H₂₆ClNPRu*F₆P
• 分子量: 664.96
• InChiKey: SIGDLVBTLFVVMD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  吡啶 、 ammonium hexafluorophosphate 、 RuCl2(PPh2(CH2)3-η(6)-C6H5) 以 甲醇 为溶剂， 以79%的产率得到[Ru(II)Cl(NC5H5)(PPh2(CH2)3-η6-C6H5)][PF6]
  参考文献：
  名称：

  Cationic ruthenium(II) complexes containing a chelating η1:η6-phosphinoarene ligand; [RuCl(L)(PPh2(CH2)3-η6-C6H5)][PF6] (L=P(OPh)3, P(OMe)3, PPh3, PMe3, NCMe, NC5H5)

  摘要：

  Reactions of the ruthenium(II) complex [RuCl2(PPh2(CH2)(3)-eta(6)-C6H5)], containing a chelating eta(1):eta(6)-phosphinoarene ligand, with NH4PF6, in the presence of a variety of neutral two-electron donor ligands, have yielded a series of new cationic complexes of the general formula [RuCl(L)(PPh2(CH2)(3)-eta(6)-C6H5)][PF6] [L = P(OPh)(3) (1), P(OMe)(3) (2), PPh3 (3), PMe3 (4), NCMe (5), NC5H5 (6)]. The structures of complexes 3 and 5 have been determined by X-ray crystallography. In all cases H-1- and C-13{H-1}-NMR spectra showed characteristic upfield chemical shifts indicative of the presence of a pi-bound arene ligand. The eta(6)-C6H5 group displayed five inequivalent resonances in the H-1-NMR spectra, in most cases showing three triplets and two doublets (vicinal coupling, (3)J(HH) = 6.4-5.4 Hz) of relative intensities 1:1:1:1:1 and six peaks were observed for the eta(6)-C6H5 ligand in the respective C-13{H-1}-NMR spectra, consistent with C-1 molecular symmetry at the ruthenium centre in solution. Detailed assignment of the eta(6)-arene resonances has been achieved using a collection of H-1-H-1 COSY and H-1-C-13 correlation experiments, combined with a consideration of the relative magnetic anisotropic shielding and the trans influence effects attributed to the ligands L. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01591-7