[PdCl{C₁₀H₅-2,10-(OPⁱPr₂)₂}Ru(cyclopentadienyl)]PF₆ | 1432017-13-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [PdCl{C₁₀H₅-2,10-(OPⁱPr₂)₂}Ru(cyclopentadienyl)]PF₆
• 英文别名: [PdCl{C₁₀H₅-2,10-(OPⁱPr₂)₂}Ru(Cp)]PF₆；cyclopenta-1,3-diene;[3-di(propan-2-yl)phosphanyloxy-2H-naphthalen-2-id-1-yl]oxy-di(propan-2-yl)phosphane;palladium(2+);ruthenium(2+);chloride;hexafluorophosphate
• CAS: 1432017-13-4
• 化学式: C₂₇H₃₈ClO₂P₂PdRu*F₆P
• 分子量: 844.452
• InChiKey: UXCSNRHNVWATDO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.61
• 重原子数：
  41
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate 、 [PdCl{C₁₀H₅-2,10-(OPⁱPr₂)₂}] 以 二氯甲烷 为溶剂， 反应 20.0h， 以64%的产率得到[PdCl{C₁₀H₅-2,10-(OPⁱPr₂)₂}Ru(cyclopentadienyl)]PF₆
  参考文献：
  名称：

  Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes

  摘要：

  A series of heterobimetallic complexes have been prepared in good yields by,,6 coordination of [Cp*Ru](+), [CpRu](+), [CpFe](+), and [Cr(CO)(3)] fragments to the aromatic ring of nonsymmetric Ni(II), Pd(II), and Pt(II) naphthoresorcinate POCOP compounds, and the molecular structures of the new compounds have been unequivocally determined by single-crystal X-ray diffraction crystallography. The reaction is regiospecific, and only coordination at the noncyclometalated ring is observed. The coordination occurs in an orthogonal fashion, and as a consequence, the heterobimetallic species exhibit axial desymmetrization of the pincer fragment, generating molecules with planar chirality. In addition, the electronic properties of the metal center can be tuned by the effect of pi coordination of the second metal, as shown by electrochemical studies. The observed specificity of the reaction is discussed and supported with theoretical studies.

  DOI：

  10.1021/om400147x

文献信息

• Preparative resolution of stable enantio-enriched POCOP-based planar chiral pincer complexes
  作者：Noel Angel Espinosa-Jalapa、Manuel Alejandro Roque Ramires、Rubén Alfredo Toscano、Jean-Pierre Djukic、Ronan Le Lagadec

  DOI：10.1016/j.jorganchem.2017.04.007

  日期：2017.9

  2-benzenediolato)phosphate(V) chiral anion (Δ-TRISPHAT), followed by the physical separation of the diastereomers. The absolute configuration of one enantiomer of each pair was established by a single-crystal X-ray diffraction and was found to be pR according to the extended Cahn-Ingold-Prelog rules. Upon release of the chiral auxiliary (metathesis of [Δ-TRISPHAT]- by PF6−), the pairs of enantiomers pR-2a/pS-2a and

  的η 6 -coordination的[CPRU]的+片段基于在一个步骤中，得到外消旋一个naphthoresorcinate骨干钯和铂的非对称POCOP钳形衍生物的芳环外消旋-2a和外消旋-2b复合物（一个 =钯，b  = PT）和化合物的平面手性性质是由非手性的PF易位证明6 -通过对映体纯的Δ-三（四氯-1,2-苯二醇基）磷酸（V）手性阴离子（Δ-TRISPHAT）产生抗衡离子，然后物理分离非对映体。通过单晶X射线衍射确定每对中一个对映异构体的绝对构型，并且根据扩展的Cahn-Ingold-Prelog规则，发现其为pR。在手性助剂（[Δ-TRISPHAT]的复分解的释放-由PF 6 - ），则对映异构体的pR -2a / PS -2a和的pR -2b / PS -2b被充分表征。每对对映异构体均表现出相反的（+）/（-）旋光性，并具有相互的圆二色性，且棉花效应具有相似的绝对强度。通过pR