trans-[Pt(H)(F)(PCy3)2] | 144717-69-1

• 分子结构分类: 有机化合物 - 有机磷化合物
• 英文名称: trans-[Pt(H)(F)(PCy3)2]
• CAS: 144717-69-1
• 化学式: C₃₆H₆₇FP₂Pt
• 分子量: 775.954
• InChiKey: KQPGVUQDAUJLIK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  13.08
• 重原子数：
  40.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• 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：

  trans-dihydridobis(tricyclohexylphosphine)platinum 以 四氢呋喃 为溶剂， 生成 trans-[Pt(H)(F)(PCy3)2]
  参考文献：
  名称：

  氟吡啶在钯和铂上的反应性不同：钯的CF氧化加成，铂的PC和CF活化†

  摘要：

  钯（0）和铂（0）的发散行为在[M（PR 3）2 ]（M = Pd或Pt; R = Cy或iPr）朝向五氟吡啶和2,3,5,6-四氟吡啶。钯配合物与五氟吡啶在100°C下反应，生成反式-[Pd（F）（4-C 5 NF 4）（PR 3）2 ]的氟化物配合物。它们不与2,3,5,6-四氟吡啶反应。在室温下，铂（0）配合物[Pt（PR 3）2 ]与五氟吡啶在THF中的反应生成反式[[Pt（R）（4-C 5 NF 4）（PR 3）（PFR 2）]配合物，而[Pt（PCy 3）2]与2,3,5,6-四氟吡啶一起导致CH活化，形成顺式-[Pt（H）（4-C 5 NF 4）（PCy 3）2 ]；该配合物可通过光解转化为反式异构体。与c是-hydride也[PT（PCY的反应过程中形成3）2 ]使用C 5 NF 5于己烷中。这些反应也与先前对相同底物对{Ni（PEt 3）2 }的反应性的研究形成对比，后者产生了[Ni（F）（2-C

  DOI：

  10.1021/om049448p

文献信息

• Hydrogen Bonding in Transition Metal Complexes:  Synthesis, Dynamics, and Reactivity of Platinum Hydride Bifluoride Complexes
  作者：Naseralla A. Jasim、Robin N. Perutz

  DOI：10.1021/ja0010913

  日期：2000.9.1

  Platinum hydride bifluoride (FHF) complexes trans-[Pt(PR3)(2)H(FHF)] (R = CY, Pr-i) were prepared from the reaction of the corresponding trans-dihydride complexes with NEt3. 3(HF) in THF. They were also formed in C-F activation reactions of the same precursors with C6F6 in the presence of [Me4N]F. The low-temperature NMR spectra exhibit a complete network of coupling between the spin 1/2 nuclei, H-1, P-31, F-19, and Pt-195. At higher temperatures, fluxional behavior is observed which is principally associated with intermolecular exchange of HF between platinum centers. However, satisfactory simulation of the spectra also requires inclusion of intermolecular exchange of the distal fluoride. Addition of [Bu4N]FHF results in coalescence of the bifluoride proton resonance of the complex and the added bifluoride, demonstrating that the bifluoride ligand can exchange with free bifluoride, FHF-. The IR spectrum of trans-[Pt(PCy3)(2)H(FHF)] shows two broad bands at 2604 and 1832 cm(-1) assigned to the H-F stretching modes and a sharp band at 2272 cm(-1) for the Pt-H stretching mode. Bifluoride is a weakly coordinated ligand which can be replaced to give trans[Pt(PCy3)(2)(H)X] complexes where X = N-3,OTf. Hydrogen fluoride may be removed from trans-[Pt(PCy3)(2)H(FHF)] by treatment with CsOH in the presence of [NMe4]F, yielding trans-[Pt(PCy3)(2)(H)F]. In addition, these bifluoride complexes fluorinate organic compounds, such as CH3I, CH3COCl, and C6H5COCl, to give CH3F, CH3COF, and C6H5COF together with trans-[Pt(PCy3)(2)(H)X] (X = Cl, I). Reactions with PPh3 and pyridine yield trans-[Pt(PCy3)(2)(PPh3)H]FHF and trans- [Pt(PCy3)(2)(C5H5N)H]FHF.