mer-[RuCl3(NCMe)3] | 21503-88-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: mer-[RuCl3(NCMe)3]
• 英文别名: Acetonitrile;trichlororuthenium
• CAS: 21503-88-8；45047-78-7
• 化学式: C₆H₉Cl₃N₃Ru
• 分子量: 330.587
• InChiKey: IVOJNYCGJWVQKB-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  71.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  mer-[RuCl3(NCMe)3] 在 H₂ 、 catalyst: Pt/C 作用下， 以 乙腈 为溶剂， 生成 {RuCl2(NCMe)4}
  参考文献：
  名称：

  Ru(CH3CN)3Cl3, preparation and use as a mediator for the electrooxidation of hydrocarbons

  摘要：

  Hydrogenation of ruthenium chloride in acetonitrile yields complexes of the type Ru(CH3CN)(n)Cl6-n of which three are isolated (n = 2, 3, 4). Their formation is traced by voltammetry. Ru(CH3CN)(2)Cl-4 and Ru(CH3CN)(3)Cl-3 have been characterized by single-crystal X-ray diffraction. Voltammetry shows that Ru(CH3CN)(3)Cl-3 acts as a mediator for oxidation of cyclohexene, methylcyclohexene, 1-tetralol and tetralin. Its role in tetralin oxidation is illustrated by preparative scale electrolysis. The compounds Ru(CH3CN)(2)Cl-4 and Ru(CH3CN)(4)Cl-2 did not react with any of the mentioned hydrocarbons. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00532-x
• 作为产物：
  描述：

  mer-{N(C4H9)4}{RuCl3(CH3CN)3} 以 二氯甲烷 、 乙腈 为溶剂， 生成 mer-[RuCl3(NCMe)3]
  参考文献：
  名称：

  From [RuX₆] to [Ru(RCN)₆]: synthesis of mixed halide–nitrile complexes of ruthenium, and their spectroelectrochemical characterization in multiple oxidation states

  摘要：

  A complete series of benzonitrile- and acetonitrile-substituted ruthenium halide complexes [RuX6-n(RCN)n]z (n = 0-6), ranging stepwise from [RuX6]2- to [Ru(RCN)6]2+, has been prepared and characterized. Three series were established, having RCN/X = PhCN/Cl, PhCN/Br, and MeCN/Cl. The strategy of reductive substitution has been developed to prepare [RuX5(RCN)]2-, trans-[RuX4(RCN)2]-, mer-[RuX3(RCN)3] and trans-[RuX2(RCN)4] in turn from [RuX6]2- by systematic electrosynthetic routes, through detailed management of potential, temperature and RCN concentration. The monosubstituted pentahalogeno complexes are unstable and their preparation is only practicable via electrode-induced (Ru(IV) --> Ru(III)) halide displacement from [RuX6]2- at low temperature. At the divalent level, exhaustive substitution to form [RuX(RCN)5]+ and [Ru(RCN)6]2+ from [RuX2(RCN)4] required more forcing chemical conditions (Ag+ and CF3SO3H respectively). Voltammetric studies between -65 and 20-degrees-C confirm that the family of mixed halide-nitrile monomeric complexes is rich in redox chemistry, spanning oxidation states V to II. Under reversible conditions, the various metal-based electrode potentials for [RuX6-n(RCN)n]z are a linear function of the stoichiometry parameter, n, increasing by 0.45 Ru(V)-Ru(IV)) or 0.6 V (Ru(IV)-Ru(III) and Ru(III)-Ru(II)) per halide replace by nitrile. By use of spectroelectrogeneration techniques, the optical charge-transfer spectra for every available member of each family have been recorded in multiple oxidation levels, defining the states Ru(IV) for n = 0-2, Ru(III) for n = 0-5 and Ru(II) for n = 2-6. For the present complexes, there are unmistakable complementary progressions in the halide-to-metal (X --> Ru(III)) and metal-to-ligand (Ru(II) --> RCN) bands, in accord with the underlying trend in E1/2(Ru(III)-Ru(II)). These measurements present an unusual opportunity to document and analyse the characteristic trends in appearance and location of both ligand-to-metal (Ru(III)) and metal-to-ligand (Ru(II)) charge-transfer manifolds as a function of stoichiometry.

  DOI：

  10.1039/dt9910002401

文献信息

• Komozin, Russian Journal of Inorganic Chemistry, 2000, vol. 45, # 4, p. 589 - 600
  作者：Komozin

  DOI：——

  日期：——
• Spectroelectrochemical studies on some new ruthenium(II) complexes containing both cyanide and isocyanide ligands
  作者：Joseph P. al Dulaimi、Robin J.H. Clark、Marcia Saavedra S、Md.Abdus Salam

  DOI：10.1016/s0020-1693(99)00581-2

  日期：2000.4

  New ruthenium(II) complexes trans, trans, trans-[RuCl(2)(NCR)(2)(CNR')(2)] (R = Me or Ph, R' = Bu', xylyl or cyclohexyl (cy)) have been prepared by treating mer-[RuCl(3)(NCR)(3)] with the appropriate isocyanide ligand CNR' in EtOH/CH(2)Cl(2). These complexes have been shown to be oxidisable electrochemically in situ to the analogous ruthenium(III) species trans, trans, trans[RuCl(2)(NCR)(2)(CNR')(2)](+) in 0.5 mol dm(-3) [NBu(4)(n)][PF(6)]/CH(2)Cl(2) solution, the stereochemistry of the oxidised species being established by use of an infrared spectroelectrochemical (IRRAS) technique. The electronic absorption spectra of the ruthenium(III) species obtained by use of an OTTLE cell are also reported and discussed. (C) 2000 Elsevier Science S.A. All rights reserved.