4-Methyl-4'-((E)-2-pyren-1-yl-vinyl)-[2,2']bipyridinyl | 869737-33-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4-Methyl-4'-((E)-2-pyren-1-yl-vinyl)-[2,2']bipyridinyl
• 英文别名: (e)-1-[2-(4-Methyl-2-pyridyl)-4-pyridyl]-2-(1-pyrenyl)-1-ethene；2-(4-methylpyridin-2-yl)-4-[(E)-2-pyren-1-ylethenyl]pyridine
• CAS: 869737-33-7
• 化学式: C₂₉H₂₀N₂
• 分子量: 396.491
• InChiKey: DIHPLFAGWJPURD-AATRIKPKSA-N

物化性质

• 沸点：
  633.5±34.0 °C(predicted)
• 密度：
  1.265±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Methyl-4'-((E)-2-pyren-1-yl-vinyl)-[2,2']bipyridinyl 在 palladium on activated charcoal 氢气 作用下， 生成 4-methyl-4'-[2-(1-pyrenyl)ethyl]-2,2'-bipyridine
  参考文献：
  名称：

  Excited-State Processes in Ruthenium(II) Bipyridine Complexes Containing Covalently Bound Arenes

  摘要：

  The photophysical properties of a series of ruthenium trisbipyridine complexes covalently linked to aromatic chromophores of the type [Ru(bpy)(2)(4-methyl-4'-(2-arylethyl)-2,2'-bipyridine)](2)(+)(ClO4)(2), where aryl = 2-naphthyl ([Ru]-naphthalene), 1-pyrenyl ([Ru]-pyrene), and 9-anthryl ([Ru]-anthracene) have been investigated at room temperature and at 77 K. The photophysical properties of these bichromophores are determined by intramolecular energy-transfer processes that are governed by the relative positions of the various singlet and tripler energy levels. As a result, fluorescence from each of the pendant aromatic chromophores is completely quenched following their photoexcitation. For [Ru]-naphthalene the initial excitation energy is localized on the [Ru]-centered (MLCT)-M-3 state, whereas for [Ru]-anthracene the energy is localized on the anthracene triplet state. Since the [Ru]-centered 3MLCT state and the lowest energy pyrene tripler state are isoenergetic, an equilibrium is established resulting in a long-lived room-temperature 3MLCT emission from [Ru]-pyrene (tau = 5.23 mu s). At 77 K dual emission is observed from this bichromophore comprising pyrene phosphorescence and (MLCT)-M-3 emission, the relative proportions of which vary with time after the laser pulse.

  DOI：

  10.1021/jp970667g
• 作为产物：
  描述：

  4,4'-二甲基-2,2'-联吡啶 在 正丁基锂 、 dehydrating agent 作用下， 以 四氢呋喃 为溶剂， 生成 4-Methyl-4'-((E)-2-pyren-1-yl-vinyl)-[2,2']bipyridinyl
  参考文献：
  名称：

  Excited-State Processes in Ruthenium(II) Bipyridine Complexes Containing Covalently Bound Arenes

  摘要：

  The photophysical properties of a series of ruthenium trisbipyridine complexes covalently linked to aromatic chromophores of the type [Ru(bpy)(2)(4-methyl-4'-(2-arylethyl)-2,2'-bipyridine)](2)(+)(ClO4)(2), where aryl = 2-naphthyl ([Ru]-naphthalene), 1-pyrenyl ([Ru]-pyrene), and 9-anthryl ([Ru]-anthracene) have been investigated at room temperature and at 77 K. The photophysical properties of these bichromophores are determined by intramolecular energy-transfer processes that are governed by the relative positions of the various singlet and tripler energy levels. As a result, fluorescence from each of the pendant aromatic chromophores is completely quenched following their photoexcitation. For [Ru]-naphthalene the initial excitation energy is localized on the [Ru]-centered (MLCT)-M-3 state, whereas for [Ru]-anthracene the energy is localized on the anthracene triplet state. Since the [Ru]-centered 3MLCT state and the lowest energy pyrene tripler state are isoenergetic, an equilibrium is established resulting in a long-lived room-temperature 3MLCT emission from [Ru]-pyrene (tau = 5.23 mu s). At 77 K dual emission is observed from this bichromophore comprising pyrene phosphorescence and (MLCT)-M-3 emission, the relative proportions of which vary with time after the laser pulse.

  DOI：

  10.1021/jp970667g

文献信息

• Excited-State Processes in Ruthenium(II) Bipyridine Complexes Containing Covalently Bound Arenes
  作者：Gerard J. Wilson、Anton Launikonis、Wolfgang H. F. Sasse、Albert W.-H. Mau

  DOI：10.1021/jp970667g

  日期：1997.7.1

  The photophysical properties of a series of ruthenium trisbipyridine complexes covalently linked to aromatic chromophores of the type [Ru(bpy)(2)(4-methyl-4'-(2-arylethyl)-2,2'-bipyridine)](2)(+)(ClO4)(2), where aryl = 2-naphthyl ([Ru]-naphthalene), 1-pyrenyl ([Ru]-pyrene), and 9-anthryl ([Ru]-anthracene) have been investigated at room temperature and at 77 K. The photophysical properties of these bichromophores are determined by intramolecular energy-transfer processes that are governed by the relative positions of the various singlet and tripler energy levels. As a result, fluorescence from each of the pendant aromatic chromophores is completely quenched following their photoexcitation. For [Ru]-naphthalene the initial excitation energy is localized on the [Ru]-centered (MLCT)-M-3 state, whereas for [Ru]-anthracene the energy is localized on the anthracene triplet state. Since the [Ru]-centered 3MLCT state and the lowest energy pyrene tripler state are isoenergetic, an equilibrium is established resulting in a long-lived room-temperature 3MLCT emission from [Ru]-pyrene (tau = 5.23 mu s). At 77 K dual emission is observed from this bichromophore comprising pyrene phosphorescence and (MLCT)-M-3 emission, the relative proportions of which vary with time after the laser pulse.