(S)-heptadecylphenyl-i-propylphosphine borane | 1423313-92-1

• 英文名称: (S)-heptadecylphenyl-i-propylphosphine borane
• CAS: 1423313-92-1
• 化学式: C₂₆H₅₀BP
• 分子量: 404.468
• InChiKey: TUMRDQWDDVMHJD-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：

  (S)-heptadecylphenyl-i-propylphosphine borane 在 三乙烯二胺 作用下， 以98%的产率得到(S)-heptadecylphenyl-i-propylphosphine
  参考文献：
  名称：

  Luminescent P-Chirogenic Copper Clusters

  摘要：

  P-chirogenic dusters of the cubanes [Cu4I4L4] (L = chiral phosphine) were prepared from (+)- and (-)-ephedrine with L = (S)- or (R)-(R)(Ph)(i-Pr)P (with R = CH3 (seven steps) or C17H35 (10 steps)) with e.e. up to 96%. The X-ray structure of [Cu4I4((R)-(CH3)(Ph)(i-Pr)P)(4)] confirmed the cubane structure with average Cu center dot center dot center dot Cu and Cu center dot center dot center dot I distances of 2.954 and 2.696 angstrom, respectively. The cubane structure of the corresponding [Cu4I4((S)-(CH3)(Ph)(i-Pr)P)(4)] was established by the comparison of the X-ray powder diffraction patterns, and the opposite optical activity of the (S)- and (R)-ligand-containing clusters was confirmed by circular dichroism spectroscopy. Small-angle X-ray scattering patterns of one duster bearing a C17H35 chain exhibit a weak signal at 2 theta similar to 2.8 degrees (d similar to 31.6 angstrom), indicating some molecular ordering in the liquid state. The emission spectra exhibit two emission bands, both associated with triplet excited states. These two bands are assigned as follows: the high energy emission is due to a halide-to-ligand charge transfer, XLCT, state mixed with LXCT (ligand-to-halide-charge-transfer). The low energy band is assigned to a cluster-centered excited state. Both emissions are found to be thermochromic with the relative intensity changing between 77 and 298 K for the clusters in methylcyclohexane solution. Several differences are observed in the photophysical parameters, emission quantum yields and lifetimes for R = CH3 and C17H35. The measurements of the polarization along the emission indicate that the emission is depolarized, consistent with an approximate tetrahedral geometry of the chromophores.

  DOI：

  10.1021/ic400498j
• 作为产物：
  描述：

  bis(dimethylamino)phenyl phosphine 在 盐酸 、 正丁基锂 作用下， 以 正己烷 为溶剂， 生成 (S)-heptadecylphenyl-i-propylphosphine borane
  参考文献：
  名称：

  Luminescent P-Chirogenic Copper Clusters

  摘要：

  P-chirogenic dusters of the cubanes [Cu4I4L4] (L = chiral phosphine) were prepared from (+)- and (-)-ephedrine with L = (S)- or (R)-(R)(Ph)(i-Pr)P (with R = CH3 (seven steps) or C17H35 (10 steps)) with e.e. up to 96%. The X-ray structure of [Cu4I4((R)-(CH3)(Ph)(i-Pr)P)(4)] confirmed the cubane structure with average Cu center dot center dot center dot Cu and Cu center dot center dot center dot I distances of 2.954 and 2.696 angstrom, respectively. The cubane structure of the corresponding [Cu4I4((S)-(CH3)(Ph)(i-Pr)P)(4)] was established by the comparison of the X-ray powder diffraction patterns, and the opposite optical activity of the (S)- and (R)-ligand-containing clusters was confirmed by circular dichroism spectroscopy. Small-angle X-ray scattering patterns of one duster bearing a C17H35 chain exhibit a weak signal at 2 theta similar to 2.8 degrees (d similar to 31.6 angstrom), indicating some molecular ordering in the liquid state. The emission spectra exhibit two emission bands, both associated with triplet excited states. These two bands are assigned as follows: the high energy emission is due to a halide-to-ligand charge transfer, XLCT, state mixed with LXCT (ligand-to-halide-charge-transfer). The low energy band is assigned to a cluster-centered excited state. Both emissions are found to be thermochromic with the relative intensity changing between 77 and 298 K for the clusters in methylcyclohexane solution. Several differences are observed in the photophysical parameters, emission quantum yields and lifetimes for R = CH3 and C17H35. The measurements of the polarization along the emission indicate that the emission is depolarized, consistent with an approximate tetrahedral geometry of the chromophores.

  DOI：

  10.1021/ic400498j