4,4''-bis-tert-butyl-4'-methyl-2,2':6',2''-terpyridine | 1374792-31-0

• 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: 4,4''-bis-tert-butyl-4'-methyl-2,2':6',2''-terpyridine
• CAS: 1374792-31-0
• 化学式: C₂₄H₂₉N₃
• 分子量: 359.514
• InChiKey: HHDFQKBVVLJUQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.11
• 重原子数：
  27.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  38.67
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4,4''-bis-tert-butyl-4'-methyl-2,2':6',2''-terpyridine 在 selenium(IV) oxide 、 potassium tert-butylate 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 生成 4',4''''-((2,5-dibromo-1,4-phenylene)bis(ethene-2,1-diyl))bis(4,4''-di-tert-butyl-2,2':6',2''-terpyridine)
  参考文献：
  名称：

  Synthesis and photophysical studies of back-to-back dinuclear platinum terpyridine complexes with different substituents on the bridging ligand

  摘要：

  Four back-to-back dinuclear platinum terpyridine complexes with different substituents on the bridging ligand (1a-1d) were synthesized and characterized. Their electronic absorption, photoluminescence and triplet transient difference absorption were systematically investigated. All complexes exhibit strong (MLCT)-M-1/(ILCT)-I-1 absorption bands in the visible region, which significantly red-shifts when electron-donating substituents are introduced on the conjugated bridge and blue-shifts when electron-withdrawing substituents are present. Excitation of 1a and 1d in solution at their respective low-energy absorption band at room temperature results in an orange and red luminescence, respectively, which can be tentatively attributed to the (MLCT)-M-1/(ILCT)-I-1 excited state. These complexes exhibit intense broad triplet transient difference absorption in the visible to the near-IR region, which likely arises from the ligand-localized states ((3)pi,pi* or (ILCT)-I-3). Electron-donating substituent causes a pronounced red-shift, while electron-withdrawing substituents induce a blue-shift of the triplet transient absorption bands. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.02.031
• 作为产物：
  描述：

  1-(4-tert-butylpyridin-2-yl)-3-hydroxybutan-1-one 在 ammonium acetate 、 甲基磺酰氯 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 4,4''-bis-tert-butyl-4'-methyl-2,2':6',2''-terpyridine
  参考文献：
  名称：

  Synthesis and photophysical studies of back-to-back dinuclear platinum terpyridine complexes with different substituents on the bridging ligand

  摘要：

  Four back-to-back dinuclear platinum terpyridine complexes with different substituents on the bridging ligand (1a-1d) were synthesized and characterized. Their electronic absorption, photoluminescence and triplet transient difference absorption were systematically investigated. All complexes exhibit strong (MLCT)-M-1/(ILCT)-I-1 absorption bands in the visible region, which significantly red-shifts when electron-donating substituents are introduced on the conjugated bridge and blue-shifts when electron-withdrawing substituents are present. Excitation of 1a and 1d in solution at their respective low-energy absorption band at room temperature results in an orange and red luminescence, respectively, which can be tentatively attributed to the (MLCT)-M-1/(ILCT)-I-1 excited state. These complexes exhibit intense broad triplet transient difference absorption in the visible to the near-IR region, which likely arises from the ligand-localized states ((3)pi,pi* or (ILCT)-I-3). Electron-donating substituent causes a pronounced red-shift, while electron-withdrawing substituents induce a blue-shift of the triplet transient absorption bands. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.02.031