cis-PdCl2[(CH2P(C6H4Si(CH3)3)2)2] | 514846-20-9

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: cis-PdCl2[(CH2P(C6H4Si(CH3)3)2)2]
• 英文别名: 2-bis(4-trimethylsilylphenyl)phosphanylethyl-bis(4-trimethylsilylphenyl)phosphane;dichloropalladium
• CAS: 514846-20-9
• 化学式: C₃₈H₅₆Cl₂P₂PdSi₄
• 分子量: 864.478
• InChiKey: OTSBDLAWRTYBKV-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：

  dichloro(cycloocta-1,5-diene)palladium (II) 、 1,2-bis[bis{4-(trimethylsilyl)phenyl}phosphino]ethane 以 二氯甲烷 为溶剂， 以81%的产率得到cis-PdCl2[(CH2P(C6H4Si(CH3)3)2)2]
  参考文献：
  名称：

  1H,1H,2H,2H-Perfluoroalkyl-Functionalization of Ni(II), Pd(II), and Pt(II) Mono- and Diphosphine Complexes:  Minimizing the Electronic Consequences for the Metal Center

  摘要：

  A series of fluorous derivatives of group 10 complexes MCl2(dppe) and [M(dppe)(2)](BF4)(2) (M = Ni, Pd or Pt; dppe = 1,2-bis(diphenylphosphino)ethane) and cis-PtCl2(PPh3)(2) was synthesized. The influence of para-(1H,1H,2H,2H-perfluoroalkyl)dimethylsilyl-functionalization of the phosphine phenyl groups of these complexes, as studied by NMR spectroscopy, cyclovoltammetry (CV), XPS analyses, as well as DFT calculations, points to a weak steric and no significant inductive electronic effect. The steric effect is most pronounced for M = Ni and leads in the case of NiCl2(1c) (3c) and [Ni(1c)(2)](BF4)(2) (7c) (1c = [CH2P{C6H4(SiMe2CH2CH2C6F13)-4}(2)](2)) to a tetrahedral distortion from the expected square planar geometry. The solubility behavior of NiCl2[CH2P{C6H4(SiMe3-b(CH2CH2CxF2x+1)b)4}(2)](2) (3: b = 1-3; x = 6, 8) in THF, toluene, and c-C6F11CF3 was found to follow the same trends as those observed for the free fluorous ligands 1. A similar correlation between the partition coefficient (P) of complexes 3 and free 1 was observed in fluorous biphasic solvent systems, with a maximum value obtained for 3f (b = 3, x 6, P = 23 in favor of the fluorous phase).

  DOI：

  10.1021/ic025770l