[Ru(bpy)(NCMe)₃Cl]⁺Cl^- | 258524-38-8

• 英文名称: [Ru(bpy)(NCMe)₃Cl]⁺Cl^-
• 英文别名: (Ru(2,2'-bipyridine)(CH3CN)3Cl)Cl；[Ru(2,2'-bipyridine)(MeCN)3Cl]Cl；[Ru(bpy)(acetonitrile)3Cl]Cl；[Ru(bpy)(CH3CN)3Cl]Cl
• CAS: 258524-38-8；373383-22-3
• 化学式: C₁₆H₁₇ClN₅Ru*Cl
• 分子量: 451.32
• InChiKey: NSSXOWCAGPUHSS-UHFFFAOYSA-L

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(bpy)(NCMe)₃Cl]⁺Cl^- 、 Ru(bpy)(NCMe)₂Cl₂ 、 邻菲罗啉 以 丙酮 为溶剂， 以81.7%的产率得到(Ru(4,4'-dimethyl-2,2'-bipyridine)(1,10-phenanthridine)Cl2)*H2O
  参考文献：
  名称：

  Convenient Synthesis of Tris-Heteroleptic Ruthenium(II) Polypyridyl Complexes

  摘要：

  A convenient synthesis of tris-heteroleptic polypyridyl [Ru(pp)(pp')(pp ")](2+) complexes is reported (where pp, pp', and pp " represent three different polypyridyl ligands). Photolysis of [BzRu(pp)CI]Cl (Bz = eta (6)-C6H6) gives a mixture of Ru(pp)(CH3CN)(2)Cl-2 and [Ru(pp)(CH3CN)(3)Cl]Cl. Refluxing this mixture with pp' yields Ru(PP)(pp')Cl-2. Finally, refluxing Ru(pp)(pp')Cl-2 with pp " in a 75% ethanol/water solution gives [Ru(pp)(pp')(pp ")](2+). No ligand scrambling is observed. The complexes are characterized by H-1 NMR, elemental analysis, FAB-MB, UV-vis and emission spectroscopy, and cyclic voltammetry.

  DOI：

  10.1021/ic010603r
• 作为产物：
  描述：

  [(η(6)-benzene)Ru(2,2'-bipyridine)Cl]Cl 以 乙腈 为溶剂， 反应 24.0h， 生成 [Ru(bpy)(NCMe)₃Cl]⁺Cl^- 、 Ru(bpy)(NCMe)₂Cl₂
  参考文献：
  名称：

  Structural and optical properties of new cyclometalated Ru(II) derived compounds

  摘要：

  The electronic spectra of 4 cyclometalated ruthenium compounds built up from cycloruthenated 2-phenylpyridine with monodentate and bidentate ligands, namely (1) under bar1 [Ru(MeCN)(2)(phen)(PhPy)](1+) (RDC11), (2) under bar [Ru(phen)(2)(PhPy)](1+) (RDC34), (3) under bar [Ru(MeCN)(2)(PhPy)(dppz)](1+) (RDC11Z), (4) under bar [Ru(bpy) (PhPy)(dppz)](1+) (RDCbpZ), the last two being newly synthesized, have been recorded and calculated together with that of (5) under bar [Ru(bpy)(2)(dppz)](2+) (RDNbpZ). Recently synthesized variants of RDC34 where the phenylpyridine ligand is substituted with an electro-attractor or an electro-donor group, (6) under bar [Ru(phen)(2)(NO2PhPy)](1+) RDC40 and (7) under bar [Ru(phen)(2)(NH2PhPy)](1+) RDC41 respectively, and the dicationic reference complex [Ru (phen)(2)(bpy)](2+) (RDN34) have been investigated as well for comparison. The global structures of RDC34 and RDN34 are very similar despite of the substitution of one N atom by one C atom. As expected a shortening of the Ru-C bond as compared to the Ru-N bond is observed. The calculated structures of the investigated complexes point to a rather rigid structure whatever their environment. The introduction of a strong Ru-C bond has a minor effect on the coordination sphere around the metal atom keeping the other Ru-N bonds and bond angles similar, the only noticeable alteration being an increase of the Ru-N bond trans to the Ru-C bond. The experimental spectra are characterized by an intense band in the UV domain centered at 270 nm and corresponding to a strong intra-ligand (IL) absorption. Low-lying MLCT states contribute to a weak shoulder around 370 nm and to a large band between 550 nm and 400 nm. The tail of this band, towards 650 nm, is a characteristic of the cyclometalated complexes. This series of molecules, as other polypyridyl complexes, are characterized by a high density of excited states in the vis/UV energy domain, a large mixing between MLCT/IL and LLCT states in the upper part of the spectrum, and a significant sensitivity to the environment of the IL state localized on the dppz ligands. (C) 2013 Published by Elsevier B.V.

  DOI：

  10.1016/j.jorganchem.2013.08.032

文献信息

• 2-Diphenylphosphino-2′-hydroxy-1,1′-binaphthyl as a chiral auxiliary for asymmetric coordination chemistry
  作者：Lei Gong、Christian Müller、Mehmet Ali Celik、Gernot Frenking、Eric Meggers

  DOI：10.1039/c0nj00787k

  日期：——

  (R)-2-diphenylphosphino-2′-hydroxy-1,1′-binaphthyl (HO-MOP) was investigated as a chiral auxiliary for the asymmetric synthesis of ruthenium polypyridyl complexes. It was found that (R)-HO-MOP serves as an effective chiral auxiliary starting from different precursor complexes, most notably using the commercially available half-sandwich complex [Ru(η6-C6H6)Cl2]2.

  在这项研究中，双齿配体 （R）-2-二苯基膦基-2'-羟基-1,1'-联萘基（HO-MOP）作为手性助剂，用于钌多吡啶基配合物的不对称合成。结果发现，（- [R ）- HO-MOP用作从不同的前体复合物的有效手性辅助起动，最值得注意的是使用市售的半夹心络合物的[Ru（η 6 -C 6 H ^ 6）氯2 ] 2。
• Synthesis of mononuclear and dinuclear ruthenium(<scp>ii</scp>) tris(heteroleptic) complexes via photosubstitution in bis(carbonyl) precursors
  作者：Declan Mulhern、Sally Brooker、Helmar Görls、Sven Rau、Johannes G. Vos

  DOI：10.1039/b510751b

  日期：——

  of the compounds [Ru(bpy)(Me(2)bpy)(bpt)](PF(6))x0.5C(4)H(10)O [1x0.5C(4)H(10)O], [Ru(bpy)(Me(2)bpy)(bpzt)](PF(6))xH(2)O (2xH(2)O) and [Ru(bpy)(Me(2)bpy)(CH(3)CN)(2)](PF(6))(2)xC(4)H(10)O (6xC(4)H(10)O) are reported. The synthesis and characterisation of the dinuclear analogues of 1 and 2, [Ru(bpy)(Me(2)bpy)}(2)bpt](PF(6))(3)x2H(2)O (3) and [Ru(bpy)(Me(2)bpy)}(2)bpzt](PF(6))(3) (4), are also described

  报道了一种新颖的且非常通用的制备三（杂醇）钌（II）配合物的方法。使用此方法，该方法基于[Ru（bpy）（CO）（2）Cl（2）]和[Ru（bpy）（Me（2）bpy）（CO）（2）等前体中羰基配体的光解]]（PF（6））（2），单核和双核Ru（II）三（杂多）多吡啶基络合物，其中包含桥联配体3,5-双（吡啶-2-基）-1,2,4-三唑（已制备Hbpt）和3,5-双（吡嗪-2-基）-1,2,4-三唑（Hbpzt）。通过柱色谱法纯化得到的复合物，并通过HPLC，质谱，1 H NMR，吸收和发射光谱以及通过电化学方法进行表征。化合物[Ru（bpy）（Me（2）bpy）（bpt）]（PF（6））x0.5C（4）H（10）O [1x0.5C（4）H（ 10）O]，[Ru（bpy）（Me（2）bpy）（bpzt）] [PF（6））xH（2）O（2xH（2）O）和[Ru（bpy）（Me（2）bpy）（CH（