[Pd(α-(4-pyridyl)benzhydrol)2(OAc)2]*THF | 845276-26-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Pd(α-(4-pyridyl)benzhydrol)2(OAc)2]*THF
• CAS: 845276-26-8
• 化学式: C₄H₈O*C₄₀H₃₆N₂O₆Pd
• 分子量: 819.263
• InChiKey: IPQBLNCHPHTGOI-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：

  四氢呋喃 、 二苯基(4-吡啶基)甲醇 、 palladium diacetate 以 四氢呋喃 为溶剂， 以72%的产率得到[Pd(α-(4-pyridyl)benzhydrol)2(OAc)2]*THF
  参考文献：
  名称：

  “Venetian Blinds” Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic−Inorganic Diols

  摘要：

  A family of organic-inorganic wheel-and-axle diols (Pd(LOH)(2)Cl-2, Pd(LOH)(2)(CH3)Cl, Pd(LOH)(2)(CH3COO)(2), LOH = alpha-(4-pyridyl)benzhydrol) and several corresponding solvates are synthesized and characterized by single-crystal X-ray diffraction analysis. Their structures are compared to investigate the factors governing the modes of solid state association, the propensity to clathration, and the structural basis of guest inclusion. In all the complexes, the palladium coordination is a slightly distorted square. The LOH ligands coordinate Pd2+ by means of the 4-pyridyl ring. In the chloride complexes solvation occurs with a 1:2 host/guest ratio by hydrogen bonding between the terminal -OH groups of the complex diol and one acceptor atom on the guest, and it is further assisted by guest stacking between host aryl rings. All solvates are organized in layers with practically invariant metrics, while the layers may be assembled in different arrangements. The structures of the nonsolvate compounds are related to the metrics of the solvate forms by rotation of the complex molecules within the layer plane. In all cases the nonsolvates are completely converted into the corresponding crystalline solvate forms by exposure to the vapor of the guest, and conversely they are quantitatively recovered from the solvate upon removal of the guest by mild conditions. On the basis of the structural data, it is proposed that the solvation/desolvation process proceeds by a concerted rotation of the complex molecules in the layer plane. The structural analysis of Pd(LOH)(2)(CH3COO)(2) and of its tetrahydrofuran monosolvate form suggests that the first step of the solid/gas solvation process may imply the clathration of 1 mol of guest between the aryl rings, which successively triggers the collective reorientation of the host molecules.

  DOI：

  10.1021/ic048896m