carbon monoxide;ruthenium(2+);dichloride;hydrate | 130168-43-3

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: carbon monoxide;ruthenium(2+);dichloride;hydrate
• CAS: 130168-43-3
• 化学式: C₃H₂Cl₂O₄Ru
• 分子量: 274.022
• InChiKey: TVMOEIVARWFWSA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -6.93
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  carbon monoxide;ruthenium(2+);dichloride;hydrate 以 二氯甲烷 为溶剂， 生成 dichlorotricarbonylruthenium(II) dimer
  参考文献：
  名称：

  Surface organometallic chemistry: Reductive carbonylation of silica-supported RuCl3 · 3H2O

  摘要：

  The reductive carbonylation of silica-supported RuCl3.3H2O was investigated. This physisorbed salt reacts with CO at 25-50-degrees-C to form the silica-bound species[GRAPHICS]which is converted into the silica-bound tricarbonyl species[GRAPHICS]when the temperature is raised to 100-degrees-C. The surface species may be extracted with suitable donor solvents at room temperature. With[GRAPHICS]extraction using acetone followed by recrystallization from dichloroethane/pentane affords [RU(CO)3Cl2]2 in high yield. The dimer sublimes directly from the surface upon carbonylation at 180-degrees-C. Liberated HCl probably inhibits further reduction. However, starting from physisorbed [(Ru(CO)3Cl2}2], the species [RU2(CO)6Cl4(H2O)] is formed on the surface in the presence of CO + H2O at 100-degrees-C. Only traces of [(Ru(CO)3Cl2}2] and clusters such as [Ru3(CO)10Cl2] and [Ru3(CO)12] sublime under these conditions.

  DOI：

  10.1016/0022-328x(93)83016-o
• 作为产物：
  描述：

  dichlorotricarbonylruthenium(II) dimer 在 水 作用下， 以 二氯甲烷 为溶剂， 生成 carbon monoxide;ruthenium(2+);dichloride;hydrate
  参考文献：
  名称：

  Surface organometallic chemistry: Reductive carbonylation of silica-supported RuCl3 · 3H2O

  摘要：

  The reductive carbonylation of silica-supported RuCl3.3H2O was investigated. This physisorbed salt reacts with CO at 25-50-degrees-C to form the silica-bound species[GRAPHICS]which is converted into the silica-bound tricarbonyl species[GRAPHICS]when the temperature is raised to 100-degrees-C. The surface species may be extracted with suitable donor solvents at room temperature. With[GRAPHICS]extraction using acetone followed by recrystallization from dichloroethane/pentane affords [RU(CO)3Cl2]2 in high yield. The dimer sublimes directly from the surface upon carbonylation at 180-degrees-C. Liberated HCl probably inhibits further reduction. However, starting from physisorbed [(Ru(CO)3Cl2}2], the species [RU2(CO)6Cl4(H2O)] is formed on the surface in the presence of CO + H2O at 100-degrees-C. Only traces of [(Ru(CO)3Cl2}2] and clusters such as [Ru3(CO)10Cl2] and [Ru3(CO)12] sublime under these conditions.

  DOI：

  10.1016/0022-328x(93)83016-o

文献信息

• The subtle effects of iron-containing metal surfaces on the reductive carbonylation of RuCl₃
  作者：Matti Haukka、Minna Jakonen、Taina Nivajärvi、Mirja Kallinen

  DOI：10.1039/b602834a

  日期：——

  use of iron-containing metal surfaces, Fe, Fe-Cr-alloy and stainless steel, for the synthesis of mixed metal Ru-Fe compounds has been studied. The studied process was reductive carbonylation of RuCl3 in the presence of a metal surface. Reactions were carried out in ethanol solutions under 10-50 bar carbon monoxide pressure at 125 degrees C using an autoclave. During the reaction the metal surface was

  已经研究了使用含铁的金属表面，Fe，Fe-Cr合金和不锈钢来合成Ru-Fe混合金属化合物。研究的过程是在金属表面存在下RuCl3的还原羰基化反应。使用高压釜在125℃的10-50bar一氧化碳压力下在乙醇溶液中进行反应。在反应过程中，金属表面被氧化，将铁释放到溶液中，并作为铁的牺牲源。在这些条件下，金属表面的腐蚀很容易产生一系列含铁物质。除了形成最明显的铁（II）产物（例如[Fe（H2O）6] 2+或[FeCL2（ ）4]）之外，金属表面的使用还提供了一条通往新的不稳定的三核[Ru2CL2（ mu-Cl）4（CO）6FeL2]（L = ，EtOH）配合物。使用计算DFT方法进一步研究了[Ru2CL2（mu-Cl）4（CO）6FeL2]配合物的稳定性和反应性。根据计算结果，提出了[Ru2CL2（mu-Cl）4（CO）6FeL2]形成和分解的反应路线。
• Formation and Structural Characterization of [RuCl₂(CO)₂(SPh₂)₂], [RuCl₂(CO)₃(OH₂)], and [Ru(OH₂)₆][RuCl₃(CO)₃]₂ · 2H₂O
  作者：Marjaana Taimisto、Raija Oilunkaniemi、Risto S. Laitinen、Markku Ahlgrén

  DOI：10.1515/znb-2003-1005

  日期：2003.10.1

  While the room temperature reaction of [RuCl₂(CO)₃]₂ and Ph₂S in tetrahydrofuran in air affords [RuCl₂(CO)₂(SPh₂)₂] (1) in moderate yield, that in dichloromethane results in the formation of a mixture of [RuCl₂(CO)₃(H₂O)] (2) and [Ru(H₂O)₆][RuCl₃(CO)₃]₂·2H₂O (3). Very small amounts of 1 are produced only upon prolonged reflux of the reagents. All compounds were characterized by X-ray crystallography. 1 crystallizes as discrete octahedral cis(CO), cis(Cl), trans(Ph₂S) complexes, which are joined into stacks by weak H···Cl hydrogen bonds. 2 is also composed of discrete octahedral complexes. Four hydrogen bonds involving aqua and chlorido ligands link two complexes into a dimer. The structure of 3 consists of octahedral hexaaquaruthenium cations and two tricarbonyltrichloridoruthenate anions. The water of crystallization is involved in hydrogen bonding between the cations and anions resulting in the formation of a continuous three-dimensional network.

  在四氢呋喃中，[RuCl₂(CO)₃]₂和Ph₂S的室温反应在空气中得到[RuCl₂(CO)₂(SPh₂)₂] (1) 产率适中，而在二氯甲烷中得到[RuCl₂(CO)₃(H₂O)] (2)和[Ru(H₂O)₆][RuCl₃(CO)₃]₂·2H₂O (3)的混合物。只有在反应物长时间回流时才会产生极少量的1。所有化合物均通过X射线晶体学表征。1以离散的八面体顺式(CO)、顺式(Cl)、反式(Ph₂S)配合物结晶，由弱的H···Cl氢键连接成堆。2也由离散的八面体配合物组成。涉及水合和氯配体的四个氢键将两个配合物连接成二聚体。3的结构由六水合合铼阳离子和两个三羰基三氯合铼阴离子组成。晶体水参与了阳离子和阴离子之间的氢键作用，形成了连续的三维网络。