ditert-butylphosphane;platinum | 197845-42-4

• 分子结构分类: 有机化合物
• 英文名称: ditert-butylphosphane;platinum
• CAS: 197845-42-4
• 化学式: C₂₄H₅₇P₃Pt
• 分子量: 633.718
• InChiKey: NINQFFWUBVIXRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.78
• 重原子数：
  28.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• 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

• 作为反应物：
  描述：

  ditert-butylphosphane;platinum 以 氘代苯 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, molecular and electronic structure of the first homoleptic complex of platinum with a secondary phosphine

  摘要：

  The reaction of CpPt(eta(3)-C3H5) with (PBu2H)-H-t in acetone gives the Pt(0) mononuclear derivative Pt((PBu2H)-H-t)(3) (1). As demonstrated by variable temperature P-31{H-1} NMR spectra, complex 1 dissociates one of the phosphines in toluene solution affording the 14e(-)Pt((PBu2H)-H-t)(2). The crystal and molecular structure of 1 was solved by X-ray diffraction which reveals a trigonal planar disposition of the phosphine molecules (C24H57P3Pt: hexagonal, space group P6(3)/m, a=b=10.4150(11), c=16.263(3) Angstrom, Z=2). The P-H hydrogen atoms were located in the Fourier map and were found to lie in the coordination plane, with the t-butyl substituents in an eclipsed configuration. Ab initio and molecular dynamics calculations essentially confirm the structure obtained by X-ray diffraction. Ar. agostic Pt-H-P interaction was excluded and the geometry was explained in terms of steric interactions. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0020-1693(97)05679-x
• 作为产物：
  描述：

  trans-dichlorobis(diethyl sulfide)platinum(II) 、 二-叔丁基膦 在 NaC₅H₅ 、 CH₂=CHCH₂MgBr 作用下， 以 丙酮 为溶剂， 以29%的产率得到ditert-butylphosphane;platinum
  参考文献：
  名称：

  Synthesis, molecular and electronic structure of the first homoleptic complex of platinum with a secondary phosphine

  摘要：

  The reaction of CpPt(eta(3)-C3H5) with (PBu2H)-H-t in acetone gives the Pt(0) mononuclear derivative Pt((PBu2H)-H-t)(3) (1). As demonstrated by variable temperature P-31{H-1} NMR spectra, complex 1 dissociates one of the phosphines in toluene solution affording the 14e(-)Pt((PBu2H)-H-t)(2). The crystal and molecular structure of 1 was solved by X-ray diffraction which reveals a trigonal planar disposition of the phosphine molecules (C24H57P3Pt: hexagonal, space group P6(3)/m, a=b=10.4150(11), c=16.263(3) Angstrom, Z=2). The P-H hydrogen atoms were located in the Fourier map and were found to lie in the coordination plane, with the t-butyl substituents in an eclipsed configuration. Ab initio and molecular dynamics calculations essentially confirm the structure obtained by X-ray diffraction. Ar. agostic Pt-H-P interaction was excluded and the geometry was explained in terms of steric interactions. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0020-1693(97)05679-x