Ru(2-(pyrid-2'-yl)acridine)(CH3CN)(2,2':6',2''-terpyridine)PF6 | 1374114-86-9

• 英文名称: Ru(2-(pyrid-2'-yl)acridine)(CH3CN)(2,2':6',2''-terpyridine)PF6
• 英文别名: Ru(PAD)(CH3CN)(tpy)PF6
• CAS: 1374114-86-9
• 化学式: C₃₅H₂₅N₆Ru*F₆P
• 分子量: 775.658
• InChiKey: QMHIPPYTENHJQP-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：

  Ru(2-(pyrid-2'-yl)acridine)(CH3CN)(2,2':6',2''-terpyridine)PF6 、 水 以 丙酮 为溶剂， 以89%的产率得到cis-Ru(2-(pyrid-2'-yl)acridine)(H2O)(2,2':6',2''-terpyridine)PF6
  参考文献：
  名称：

  Photoisomerization and Proton-Coupled Electron Transfer (PCET) Promoted Water Oxidation by Mononuclear Cyclometalated Ruthenium Catalysts

  摘要：

  Photoisomeric transformations in ruthenium polypyridyl complexes have been rarely reported. Herein we report the geometrical transformation of cyclometalated trans-[Ru(tpy)(PAD)(OH2)](+) ([1](+)) to the cis-[Ru(tpy)(PAD)(OH2)](+) ([1a](+)) (tpy = 2,2';6',2 ''-terpyridine, PAD = 2-(pyrid-2'-yl)acridine) isomer upon irradiation of visible light (lambda >= 420 nm). Due to a proton-induced tautomeric equilibrium between the Ru-C bond and Ru=C coordination, the pi* energy levels of PADH are lower than those of tpy by 12.61 and 12.24 kcal mol(-1), respectively, in [1](+) and [1a](+). Isomers [1](+) and [1a](+) both act as catalytic oxygen-evolving complexes (OECs) chemically as well as electrochemically.

  DOI：

  10.1021/ic3003542
• 作为产物：
  描述：

  α,α,α-三联吡啶 、 [Ru(2-(pyridin-2-yl)acridine(-1H))(acetonitrile)4]PF6 以 乙醇 为溶剂， 以76%的产率得到Ru(2-(pyrid-2'-yl)acridine)(CH3CN)(2,2':6',2''-terpyridine)PF6
  参考文献：
  名称：

  Photoisomerization and Proton-Coupled Electron Transfer (PCET) Promoted Water Oxidation by Mononuclear Cyclometalated Ruthenium Catalysts

  摘要：

  Photoisomeric transformations in ruthenium polypyridyl complexes have been rarely reported. Herein we report the geometrical transformation of cyclometalated trans-[Ru(tpy)(PAD)(OH2)](+) ([1](+)) to the cis-[Ru(tpy)(PAD)(OH2)](+) ([1a](+)) (tpy = 2,2';6',2 ''-terpyridine, PAD = 2-(pyrid-2'-yl)acridine) isomer upon irradiation of visible light (lambda >= 420 nm). Due to a proton-induced tautomeric equilibrium between the Ru-C bond and Ru=C coordination, the pi* energy levels of PADH are lower than those of tpy by 12.61 and 12.24 kcal mol(-1), respectively, in [1](+) and [1a](+). Isomers [1](+) and [1a](+) both act as catalytic oxygen-evolving complexes (OECs) chemically as well as electrochemically.

  DOI：

  10.1021/ic3003542

文献信息

• Follow-Up Study of Trans-C to Cis-C Thermally or Photochemically Induced Isomerization of Terpyridine Adducts of Cycloruthenated 2-Aryl-2′-pyridine Compounds
  作者：Moussa Ali、Yann Cornaton、Jean-Pierre Djukic、Michel Pfeffer

  DOI：10.1021/acs.inorgchem.3c03671

  日期：2024.3.18

  reaction between [Ru(3-acridine-2′-C5H4N-κC,N) (MeCN)4]PF6, 4, and terpy in MeOH/MeCN at 60 °C for 24 h. Similar to 2, the isomerization of 6 to [Ru(3-acridine-2′-C5H4N-κC,N)(MeCN-trans-C) (terpy)]PF6, 7, could be induced thermally (48 h at 60 °C in pure MeOH) or photochemically under UV radiation in MeCN at room temperature. A compound closely related to 7 but in which MeCN was replaced by H2O was

  已知2-苯基,吡啶 ( phpy ) 衍生物 [Ru( phpy -κC,N) (MeCN -trans- N)( terpy )]PF 6 , 2异构化为 [Ru( phpy -κC,N) 的机理)(MeCN -trans- C)( terpy )]PF 6 ( terpy = 2,2′;6′,2″-三联吡啶), 3 , 在温度 >50 °C 下已通过1 H NMR 光谱和DFT 计算。室温下 20 小时后，MeCN 中也可定量发生由紫外光引起的2至3的光异构化。对于相关化合物 [Ru(3-acridine-2'-C 5 H 4 N-κC,N)(MeCN -trans- N)(2,2';6', 2″-三联吡啶)]PF 6 , 6 (吖啶=二苯并[ b , e ]吡啶或2,3-苯并喹啉)，由[Ru(3-吖啶-2'-C 5 H 4 N)之间的反应获得-κC,N) (MeCN) 4 ]PF 6