| 951224-53-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 951224-53-6
• 化学式: C₄₈H₆₈F₄N₂P₄Pd₂
• 分子量: 1085.81
• InChiKey: YKJINRQMKVXSIH-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  以 四氢呋喃 为溶剂， 生成 N(F(C6H3)P(i-Pr)2)2PdOH
  参考文献：
  名称：

  Reactivity of a Pd(I)−Pd(I) Dimer with O₂: Monohapto Pd Superoxide and Dipalladium Peroxide in Equilibrium

  摘要：

  The Pd(I)-Pd(I) dimer [((PNP)-P-F)Pd-](2) reacts with O-2 upon exposure to light to produce either the superoxide ((PNP)-P-F)PdO2 or the peroxide [((PNP)-P-F)PdO-] 2, which exist in equilibrium with free O-2. Both complexes contain square-planar Pd(II) centers. The unpaired electron density in ((PNP)-P-F)PdO2 is localized on the superoxide ligand.

  DOI：

  10.1021/ja200346a

文献信息

• Covalent palladium–zinc bonds and their reactivity
  作者：Claudia M. Fafard、Chun-Hsing Chen、Bruce M. Foxman、Oleg V. Ozerov

  DOI：10.1039/b709364k

  日期：——

  Photolysis of (FPNP)Pd–Et in the presence of Et2Zn leads to the formation of (FPNP)Pd–Zn–Pd(PNPF), the first example of a compound with a covalent Pd–Zn bond.

  在Et2Zn存在下，(FPNP)Pd–Et的光解反应形成(FPNP)Pd–Zn–Pd(PNPF)，这是首个含有共价Pd–Zn键的化合物。
• Addition of Ammonia, Water, and Dihydrogen Across a Single Pd−Pd Bond
  作者：Claudia M. Fafard、Debashis Adhikari、Bruce M. Foxman、Daniel J. Mindiola、Oleg V. Ozerov

  DOI：10.1021/ja0731571

  日期：2007.8.1

  photochemical conversion to a dimeric (PNP)Pd−Pd(PNP) complex with a single Pd−Pd bond. Dissociation of the dimer into monomeric (PNP)Pd species is kinetically accessible thermally and photochemically. (PNP)Pd−Pd(PNP) reacts with ammonia, water, and dihydrogen by adding the H−X bond of the substrate (X = NH2, OH, H) across the Pd−Pd bond. For ammonia, this represents a rare example of conversion of NH3

  钳形钯烷基配合物 (PNP)PdR 经历光化学转化为具有单个 Pd-Pd 键的二聚体 (PNP)Pd-Pd(PNP) 配合物。二聚体解离成单体 (PNP) Pd 物种可通过热和光化学动力学进行。(PNP)Pd-Pd(PNP) 通过在 Pd-Pd 键上添加底物的 H-X 键 (X = NH2, OH, H) 与氨、水和二氢反应。对于氨，这代表了通过双金属配合物将 NH3 转化为末端氢化物和酰胺配体的罕见例子。
• Reduction of CO₂to free CO by a Pd(<scp>i</scp>)–Pd(<scp>i</scp>) dimer
  作者：Chandra Mouli Palit、Daniel J. Graham、Chun-Hsing Chen、Bruce M. Foxman、Oleg V. Ozerov

  DOI：10.1039/c4cc02438a

  日期：——

  Reaction of CO2 with a Pd(I)–Pd(I) dimer supported by amido/bis(phosphine) pincer PNP ligands produces free CO in the presence of Me3SiCl and Me3SiOTf.

  在 Me3SiCl 和 Me3SiOTf 的存在下，二氧化碳与由氨基/双（膦）钳 PNP 配体支持的 Pd(I)-Pd(I) 二聚体反应，产生游离的一氧化碳。
• Understanding Pd–Pd Bond Length Variation in (PNP)Pd–Pd(PNP) Dimers
  作者：Justin R. Walensky、Claudia M. Fafard、Chengyun Guo、Christina M. Brammell、Bruce M. Foxman、Michael B. Hall、Oleg V. Ozerov

  DOI：10.1021/ic301629m

  日期：2013.3.4

  Analysis of the structures of three (PNP)Pd-Pd(PNP) dimers [where PNP stands for anionic diarylamido/bis(phosphine) pincer ligands] has been carried out with the help of single-crystal X-ray diffractometry and density functional theory (DFT) calculations on isolated molecules. The three dimers under study possess analogous ancillary ligands; two of them differ only by an F versus Me substituent in a remote (five bonds away from Pd) position of the pincer ligand. Despite these close similarities, X-ray structural determinations revealed two distinct structural motifs: a highly symmetric molecule with a long Pd-Pd bond or a highly distorted molecule with Pd-Pd bonds ca. 0.14 angstrom shorter. DFT calculations on a series of (PNP)Pd-Pd(PNP) dimers (as molecules in the gas phase) confirmed the existence of these distinct minima for dimers carrying large isopropyl substituents on the P-donor atoms (as in the experimental structure). These minima are nearly isoergic conformers. Evidently, the electronically preferred symmetric structure for the dimer (with a square-planar environment about Pd and a linear N-Pd-Pd-N vector) is not sterically possible with the preferred Pd-Pd distance. Thus, the minima correspond to either a symmetric structure with a long Pd-Pd bond distance or a structure with a short Pd-Pd distance but with substantial distortions in the Pd coordination environment to alleviate steric conflict. This notion is supported by finding only a single minimum (symmetric and with short Pd-Pd bonds) for each of the dimers carrying smaller substituents (H or Me) on the P atoms, regardless of the remote substitution.