[Ru(2-(pyridin-2-yl)acridine(-1H))(acetonitrile)4]PF6 | 1309784-24-4

• 英文名称: [Ru(2-(pyridin-2-yl)acridine(-1H))(acetonitrile)4]PF6
• 英文别名: [Ru(2-(pyridin-2-yl)acridine(-1H))(CH3CN)4]PF6；Ru(2-(pyrid-2'-yl)acridine)(CH3CN)4PF6；[Ru(pad)(CH3CN)4]PF6；Ru(PAD)(CH3CN)4PF6
• CAS: 1309784-24-4
• 化学式: C₂₆H₂₃N₆Ru*F₆P
• 分子量: 665.543
• InChiKey: BADGVQRORVFOJJ-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：

  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
• 作为产物：
  描述：

  [RuCl2(benzene)]2 、 sodium hexaflorophosphate 、 2-(pyrid-2′-yl)acridine 在 NaOH 作用下， 以 乙腈 为溶剂， 生成 [Ru(2-(pyridin-2-yl)acridine(-1H))(acetonitrile)4]PF6
  参考文献：
  名称：

  Proton-Induced Dynamic Equilibrium between Cyclometalated Ruthenium rNHC (Remote N-Heterocyclic Carbene) Tautomers with an NAD⁺/NADH Function

  摘要：

  Cyclometalated ruthenium(II) complexes having acridine moieties have been synthesized and characterized by spectroscopic methods. Protonation of the acridine nitrogen of the ruthenium(II) complexes not only causes dynamic equilibrium with remote N-heterocyclic carbene Ru=C complexes but also generates the NAD(+)-/NADH redox function driven by a proton-coupled two-electron transfer accompanying a reversible C-H bond formation in the pyridinium ring.

  DOI：

  10.1021/ic200315f

文献信息

• Comparative Study of C^∧N and N^∧C Type Cyclometalated Ruthenium Complexes with a NAD⁺/NADH Function
  作者：Sumanta Kumar Padhi、Ryoichi Fukuda、Masahiro Ehara、Koji Tanaka

  DOI：10.1021/ic300449q

  日期：2012.8.6

  Cyclometalated ruthenium complexes having C∧N and N∧C type coordinating ligands with NAD+/NADH function have been synthesized and characterized by spectroscopic methods. The variation of the coordinating position of σ-donating carbon atom leads to a drastic change in their properties. Both the complex Ru(phbn)(phen)2]PF6 ([1]PF6) and [Ru(pad)(phen)2]PF6 ([2]PF6) reduced to Ru(phbnHH)(phen)2]PF6 ([1HH]PF6)

  合成了具有NAD + / NADH功能的C∧N和N∧C型配位配体的环金属化钌配合物，并通过光谱法对其进行了表征。σ-给体碳原子的配位位置的变化导致其性质的急剧变化。复杂的Ru（phbn）（phen）2 ] PF 6（[ 1 ] PF 6）和[Ru（pad）（phen）2 ] PF 6（[ 2 ] PF 6）都还原为Ru（phbnHH）（phen）2 ] PF 6（[ 1HH] PF 6）和[Ru（padHH）（phen）2 ] PF 6（[ 2HH ] PF 6）通过化学和电化学方法。在可见光（λ≥420 nm）照射下，在牺牲剂三乙胺（TEA）存在下，复合物[ 1 ] PF 6光化学还原为[ 1HH ] PF 6，而[ 2 ] PF 6的光化学还原未成功。实验结果和理论计算均表明，在质子化时，配体phbn或垫的π*轨道的能级与非质子化形式相比，它具有极大的稳定性。在质子化的复合物[Ru（padH）（phen）2
• 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