cis-Ru(2-(pyrid-2'-yl)acridine)(H2O)(2,2':6',2''-terpyridine)PF6 | 1374114-84-7

• 英文名称: cis-Ru(2-(pyrid-2'-yl)acridine)(H2O)(2,2':6',2''-terpyridine)PF6
• 英文别名: trans-Ru(2-(pyrid-2'-yl)acridine)(H2O)(2,2':6',2''-terpyridine)PF6；trans-Ru(PAD)(H2O)(tpy)PF6
• CAS: 1374114-84-7；1374122-90-3
• 化学式: C₃₃H₂₄N₅ORu*F₆P
• 分子量: 752.621
• InChiKey: CXGZUMIGKADIKD-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：

  cis-Ru(2-(pyrid-2'-yl)acridine)(H2O)(2,2':6',2''-terpyridine)PF6 在 NaNO₂ 作用下， 以 丙酮 为溶剂， 以86%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：

  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
• 作为试剂：
  描述：

  水 在 cis-Ru(2-(pyrid-2'-yl)acridine)(H2O)(2,2':6',2''-terpyridine)PF6 (NH₄)2Ce(NO₃)6 作用下， 以 硝酸 为溶剂， 生成 氧气
  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