tris(tributyl-l5-phosphaneyl)rhodium(VI) chloride dihydride | 328063-73-6

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: tris(tributyl-l5-phosphaneyl)rhodium(VI) chloride dihydride
• CAS: 328063-73-6
• 化学式: C₃₆H₈₃ClP₃Rh
• 分子量: 747.335
• InChiKey: YMHKKTBZMIRXFY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  14.76
• 重原子数：
  41.0
• 可旋转键数：
  30.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  三丁基膦 、 氢气 、 [(norbornadiene)rhodium(I)chloride]2 以 丙酮 为溶剂， 生成 tris(tributyl-l5-phosphaneyl)rhodium(VI) chloride dihydride
  参考文献：
  名称：

  In Situ NMR Observation of Mono- and Binuclear Rhodium Dihydride Complexes Using Parahydrogen-Induced Polarization

  摘要：

  Starting from the binuclear complex [RhCl(NBD)](2) (NBD = 2,5-norbornadiene) in the presence of the phosphines L = PMe3, PMe2Ph, PMePh2, PEt3, PEt2Ph, PEtPh2, or P(n-butyl)(3), various mononuclear dihydrides of the type Rh(H)(2)ClL3, i.e., those of the homogeneous hydrogenation catalysts RhClL3, have been obtained upon addition of parahydrogen, and their H-1 NMR spectra have been investigated using parahydrogen-induced polarization (PHIP). Furthermore, the two binuclear complexes (H)(Cl)Rh(PMe3)(2)(mu -Cl)(mu -H)Rh(PMe3) and (H)(CI)Rh(PMe2Ph)(2)(mu -Cl)(mu -H)Rh(PMe2Ph) have been detected and characterized by means of this in situ NMR method. Analogous complexes with trifluoroacetate instead of chloride, i.e., Rh(H)(2)(CF3COO)L-3, have been generated in situ starting from Rh(NBD)(acac) in the presence of trifluoroacetic acid in combination with the phosphines L = PPh3, PEt2Ph, FEB, and P(n-butyl)(3), and their H-1 NMR parameters have been determined.

  DOI：

  10.1021/ic991319r