[4-Bis(2,4,6-trimethylphenyl)boranylphenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane | 1325242-86-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [4-Bis(2,4,6-trimethylphenyl)boranylphenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane
• 英文别名: [4-bis(2,4,6-trimethylphenyl)boranylphenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane
• CAS: 1325242-86-1
• 化学式: C₄₇H₄₄BNSi
• 分子量: 661.77
• InChiKey: BLYAHHOENCPCEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.49
• 重原子数：
  50
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  PtCl(O,O'-acetylacetone)(dimethylsulfoxide) 、 [4-Bis(2,4,6-trimethylphenyl)boranylphenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane 在 sodium acetate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以38%的产率得到
  参考文献：
  名称：

  Nonconjugated Dimesitylboryl-Functionalized Phenylpyridines and Their Cyclometalated Platinum(II) Complexes

  摘要：

  To investigate possible through-space charge transfer transitions between a Pt(II) ion and a triarylborane unit, the two new nonconjugated molecules 1 and 2 have been synthesized and fully characterized. Compound 1 has a V-shaped geometry, while 2 has a U-shaped geometry. In 1 a BMes(2)Ar group and a ppy group (Mes = mesityl, ppy = phenylpyridine) are linked together by a SiPh2 unit, while in 2 these groups are joined together by a 1,8-naphthyl linker. The crystal structures of 1 and 2 were determined by single-crystal X-ray diffraction analyses. Their cyclometalated compounds Pt-1 and Pt-2 with a Pt(acac) unit chelated to the ppy site have been synthesized. Computational and experimental examinations on the photophysical properties of the free ligands and the Pt(II) compounds revealed that the molecular shape and geometry of the molecule have a distinct impact on the fluorescence and phosphorescence of these molecules. Pt-1 is a bright, phosphorescent emitter with lambda(em) 490 nm and Phi = 66% while Pt-2 is very weakly emissive with lambda(em) 567 nm and Phi = similar to 0.05%. Anions such as fluoride were found to have no impact on the phosphorescence of these two Pt(II) compounds, thus establishing that phosphorescence of these molecules does not involve a through-space charge transfer transition between the Pt(ppy) (acac) unit and the BMes(2)Ar unit.

  DOI：

  10.1021/om200539r
• 作为产物：
  描述：

  (p-dimesitylboronylphenyl)(p-bromophenyl)diphenylsilane 、 三正丁基2-吡啶基锌 在 四(三苯基膦)钯 作用下， 以 四氢呋喃 为溶剂， 以51%的产率得到[4-Bis(2,4,6-trimethylphenyl)boranylphenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane
  参考文献：
  名称：

  Nonconjugated Dimesitylboryl-Functionalized Phenylpyridines and Their Cyclometalated Platinum(II) Complexes

  摘要：

  To investigate possible through-space charge transfer transitions between a Pt(II) ion and a triarylborane unit, the two new nonconjugated molecules 1 and 2 have been synthesized and fully characterized. Compound 1 has a V-shaped geometry, while 2 has a U-shaped geometry. In 1 a BMes(2)Ar group and a ppy group (Mes = mesityl, ppy = phenylpyridine) are linked together by a SiPh2 unit, while in 2 these groups are joined together by a 1,8-naphthyl linker. The crystal structures of 1 and 2 were determined by single-crystal X-ray diffraction analyses. Their cyclometalated compounds Pt-1 and Pt-2 with a Pt(acac) unit chelated to the ppy site have been synthesized. Computational and experimental examinations on the photophysical properties of the free ligands and the Pt(II) compounds revealed that the molecular shape and geometry of the molecule have a distinct impact on the fluorescence and phosphorescence of these molecules. Pt-1 is a bright, phosphorescent emitter with lambda(em) 490 nm and Phi = 66% while Pt-2 is very weakly emissive with lambda(em) 567 nm and Phi = similar to 0.05%. Anions such as fluoride were found to have no impact on the phosphorescence of these two Pt(II) compounds, thus establishing that phosphorescence of these molecules does not involve a through-space charge transfer transition between the Pt(ppy) (acac) unit and the BMes(2)Ar unit.

  DOI：

  10.1021/om200539r

文献信息

• Nonconjugated Dimesitylboryl-Functionalized Phenylpyridines and Their Cyclometalated Platinum(II) Complexes
  作者：Zachary M. Hudson、Suning Wang

  DOI：10.1021/om200539r

  日期：2011.9.12

  To investigate possible through-space charge transfer transitions between a Pt(II) ion and a triarylborane unit, the two new nonconjugated molecules 1 and 2 have been synthesized and fully characterized. Compound 1 has a V-shaped geometry, while 2 has a U-shaped geometry. In 1 a BMes(2)Ar group and a ppy group (Mes = mesityl, ppy = phenylpyridine) are linked together by a SiPh2 unit, while in 2 these groups are joined together by a 1,8-naphthyl linker. The crystal structures of 1 and 2 were determined by single-crystal X-ray diffraction analyses. Their cyclometalated compounds Pt-1 and Pt-2 with a Pt(acac) unit chelated to the ppy site have been synthesized. Computational and experimental examinations on the photophysical properties of the free ligands and the Pt(II) compounds revealed that the molecular shape and geometry of the molecule have a distinct impact on the fluorescence and phosphorescence of these molecules. Pt-1 is a bright, phosphorescent emitter with lambda(em) 490 nm and Phi = 66% while Pt-2 is very weakly emissive with lambda(em) 567 nm and Phi = similar to 0.05%. Anions such as fluoride were found to have no impact on the phosphorescence of these two Pt(II) compounds, thus establishing that phosphorescence of these molecules does not involve a through-space charge transfer transition between the Pt(ppy) (acac) unit and the BMes(2)Ar unit.