{(4,4',4''-tri-tert-butyl-2,2',2''-terpyridine)(2,2'-bipyridine)RuCl}PF6 | 115542-49-9

• 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',4''-tri-tert-butyl-2,2',2''-terpyridine)(2,2'-bipyridine)RuCl}PF6
• 英文别名: [Ru(4,4’,4’’-tri-tbutyl-2,2’:6’,2’’-terpyridine)(2,2’-bipyridine)Cl](PF₆)；[Ru(^tBu₃-tpy)(bpy)Cl](PF₆)；[Ru(4,4',4''-tri-(tert-butyl)-2,2':6',2''-terpyridine)(2,2'-bipyridine)Cl][PF6]；[Ru(4,4',4''-tri-tert-butyl-2,2':6,2''-terpyridine)(2,2'-bipyridine)Cl]PF6；[Ru(tpy(*))(bpy)Cl][PF6]
• CAS: 115542-49-9
• 化学式: C₃₇H₄₃ClN₅Ru*F₆P
• 分子量: 839.269
• InChiKey: LKIZOJYLUVXTCD-UHFFFAOYSA-M

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：

  {(4,4',4''-tri-tert-butyl-2,2',2''-terpyridine)(2,2'-bipyridine)RuCl}PF6 、 三氟甲磺酸 在 二氯甲烷 作用下， 以 二氯甲烷 为溶剂， 以85%的产率得到{Ru(OSO2CF3)(2,2'-bipyridine)(4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine)}CF3SO3*CH2Cl2
  参考文献：
  名称：

  Synthesis and characterization of ruthenium(II) complexes containing the new tridentate ligand 4,4′,4″-tri-tert-butyl-terpyridine

  摘要：

  DOI：

  10.1016/s0020-1693(00)88119-0
• 作为产物：
  描述：

  4,4',4''-三叔丁基2,2',6'2''-曲吡啶 以 甲醇 、 乙醇 、 水 为溶剂， 生成 {(4,4',4''-tri-tert-butyl-2,2',2''-terpyridine)(2,2'-bipyridine)RuCl}PF6
  参考文献：
  名称：

  Further Observations on Water Oxidation Catalyzed by Mononuclear Ru(II) Complexes

  摘要：

  A family of 28 mononuclear Ru(II) complexes have been prepared and characterized by H-1 NMR, electronic absorption, and cyclic voltammetry. These complexes are studied as catalysts for water oxidation. All the catalysts possess one tridentate ligand, closely related to 2,2';6,2 ''-terpyridine (tpy) and may be divided into two basic types. In the type-1 catalyst, the three remaining coordination sites are occupied by a bidentate closely related to 2,2'-bipyridine (bpy) and a monodentate halogen (Br, Cl, or I) or water molecule. In the type-2 catalyst, the three remaining coordination sites are occupied by two axial 4-picoline molecules and an equatorial halogen or water. In general the type-2 catalysts are more reactive than the type-1. The type-2 iodo-catalyst shows first-order behavior and, unlike the bromo- and chloro-catalysts, does not require water-halogen exchange to show good activity. The importance of steric strain and hindrance around the metal center is examined. The introduction of three t-butyl groups at the 4, 4', and 4 '' positions of tpy sometimes improves catalyst activity, but the effect does not appear to be additive.

  DOI：

  10.1021/ic202174j
• 作为试剂：
  描述：

  水 在 {(4,4',4''-tri-tert-butyl-2,2',2''-terpyridine)(2,2'-bipyridine)RuCl}PF6 Ce(NO₃)6(NH₄)2 作用下， 以 乙腈 为溶剂， 生成 氧气
  参考文献：
  名称：

  Further Observations on Water Oxidation Catalyzed by Mononuclear Ru(II) Complexes

  摘要：

  A family of 28 mononuclear Ru(II) complexes have been prepared and characterized by H-1 NMR, electronic absorption, and cyclic voltammetry. These complexes are studied as catalysts for water oxidation. All the catalysts possess one tridentate ligand, closely related to 2,2';6,2 ''-terpyridine (tpy) and may be divided into two basic types. In the type-1 catalyst, the three remaining coordination sites are occupied by a bidentate closely related to 2,2'-bipyridine (bpy) and a monodentate halogen (Br, Cl, or I) or water molecule. In the type-2 catalyst, the three remaining coordination sites are occupied by two axial 4-picoline molecules and an equatorial halogen or water. In general the type-2 catalysts are more reactive than the type-1. The type-2 iodo-catalyst shows first-order behavior and, unlike the bromo- and chloro-catalysts, does not require water-halogen exchange to show good activity. The importance of steric strain and hindrance around the metal center is examined. The introduction of three t-butyl groups at the 4, 4', and 4 '' positions of tpy sometimes improves catalyst activity, but the effect does not appear to be additive.

  DOI：

  10.1021/ic202174j

文献信息

• Electrochemical, Spectroscopic, and Computational Investigation of a Series of Polypyridyl Ruthenium(II) Complexes: Characterization of Reduced States
  作者：Nicolas Queyriaux、Charlène Esmieu、Arvind K. Gupta、Laure Vendier、Sascha Ott、Maylis Orio、Leif Hammarström

  DOI：10.1002/ejic.202001165

  日期：2021.4.8

  A series of polypyridyl ruthenium(II) complexes has been synthesized and characterized by 1H‐NMR, electronic absorption and voltammetric techniques. Among this series, hexafluorophosphate salts of eight ruthenium(II) complexes were newly prepared. Due to the well‐known ability of this class of compounds to assist electro‐ and photocatalytic reductive processes (such as the reduction of CO2, H+ and

  合成了一系列聚吡啶钌（II）配合物，并通过1 H-NMR，电子吸收和伏安技术进行了表征。在该系列中，新制备了八种钌（II）配合物的六氟磷酸盐。由于这类化合物具有众所周知的辅助电催化和光催化还原过程的能力（例如还原CO 2，H +和NAD（P）+模型），因此特别注意研究该化合物的性质。通过计算和光谱技术获得了它们的一电子还原和二电子还原的物种。
• Preparation and characterization of ruthenium complexes with the new 4,4′,4″-tri-tert-butylterpyridine ligand and with 4,4′-di-tert-butylbipyridine
  作者：T.Ben Hadda、H. Le Bozec

  DOI：10.1016/s0277-5387(00)86335-4

  日期：——
• Strong and weak coupling in mixed-valence complexes bridged by 4,4′-azo-di(phenylcyanamido)
  作者：Mousa Al-Noaimi、Robert J. Crutchley

  DOI：10.1016/j.ica.2007.02.039

  日期：2007.6

  The complexes [Ru(tpy*)(bpy)}(2)(mu-adpc)][PF6](2) where tpy* is 4,4',4"-tri-(tert-butyl)-2,2':6',2"-terpyridine, bpy is 2,2'-bipyridine, and adpc(2-) is 4,4'-azo-diphenyleyanamide dianion and trans, trans-[Ru(tpy*)(pc))(2)(mu-adpc)] where pc(-) is 2-pyrazine-carboxylato were prepared and characterized by cyclic voltammetry and spectroelectrochemical methods. Intervalence band properties and IR spectroelectrochemistry of the mixed-valence complexes [Ru(tpy*)(bpy)}(2)(mu-adpc)](3+) and trans, trans-[Ru(tpy*)(pc)}(2)(mu-adpc)](+) are consistent with delocalized and valence-trapped mixed-valence properties respectively. The reduction in mixed-valence coupling upon substituting a bipyridine ligand with 2-pyrazine carboxylato strongly suggests that hole-transfer superexchange is the dominant mechanism for metal-metal coupling in these complexes. (c) 2007 Elsevier B.V. All rights reserved.