(2-(m-Mes₂BC₆H₃)C₅H₄N)Pt(Me-pic) | 1418148-78-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (2-(m-Mes₂BC₆H₃)C₅H₄N)Pt(Me-pic)
• 英文别名: (2-(m-Mes₂BC₆H₃)C₅H₄N)Pt(4-methyl-2-picolinate)；4-methylpyridine-2-carboxylate;platinum(2+);(3-pyridin-2-ylbenzene-4-id-1-yl)-bis(2,4,6-trimethylphenyl)borane
• CAS: 1418148-78-3
• 化学式: C₃₆H₃₅BN₂O₂Pt
• 分子量: 733.577
• InChiKey: MKEBSQKMQZPEQI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.67
• 重原子数：
  42
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  65.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,3-二溴苯 在 bis-triphenylphosphine-palladium(II) chloride 、 正丁基锂 、 lithium chloride 作用下， 以 四氢呋喃 、 乙醚 、 甲苯 为溶剂， 反应 50.0h， 生成 (2-(m-Mes₂BC₆H₃)C₅H₄N)Pt(Me-pic)
  参考文献：
  名称：

  Impact of a Picolinate Ancillary Ligand on Phosphorescence and Fluoride Sensing Properties of BMes₂-Functionalized Platinum(II) Compounds

  摘要：

  Two new dimesitylboron (BMes(2))-functionalized 2-phenylpyridine cyclometalated Pt(II) complexes (2 and 3) with a picolinate or a methyl-picolinate as the ancillary ligand have been synthesized via a one-pot procedure at ambient conditions with high yields (>70%). The crystal structures of these Pt(II) complexes were determined by single-crystal X-ray diffraction analysis, which revealed the presence of extended pi-stacking interactions in the crystal lattice of 2 and discrete dimer formation in the lattice of 3. Both complexes exhibit dual phosphorescence emission in solution at room temperature under N-2 atmosphere. These unusual photophysical properties have been systematically investigated by spectroscopic and computational studies, which established that the phosphorescent dual emission originates from admixture of (LLCT)-L-3 and (ILCT)-I-3/(MLCT)-M-3 transitions. Fluoride titration experiments were conducted to further confirm the origin of phosphorescence in these compounds. The phosphorescent properties and the phosphorescent response toward fluoride ions by compounds 2 and 3 are distinctly different from the previously known BMes(2)-functionalized (NC)-C-boolean AND-chelate Pt(II) compounds, which are attributed to the introduction of the low-lying pi* orbital by the picolinate ancillary ligand in the Pt(II) compounds.

  DOI：

  10.1021/om301112u