RuCl2(tmso)4 | 132882-85-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 英文名称: RuCl2(tmso)4
• 英文别名: [trans-RuCl₂(tetramethylene sulfoxide-S)₄]；trans-RuCl₂(tetramethylene sulphoxide)₄；[trans-RuCl₂(TMSO-S)₄]；trans-RuCl₂(TMSO)₄；dichlororuthenium;thiolane 1-oxide
• CAS: 132882-85-0；132882-86-1；66550-69-4
• 化学式: C₁₆H₃₂Cl₂O₄RuS₄
• 分子量: 588.668
• InChiKey: KDHUGVSFILSZIH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.49
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  68.28
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  dipotassium 2,2-diethylmalonate 、 RuCl2(tmso)4 以 甲醇 为溶剂， 以60%的产率得到K(fac-[RuCl(tetramethylene sulfoxide-S)3(η2-2,2-diethylmalonate-O,O')])
  参考文献：
  名称：

  The first report on specific binding mode of diethylmalonate acting as a bridging ligand between ruthenium (II) ions stabilized by intramolecular hydrogen bonds

  摘要：

  Typically 2,2-diethylmalonate (dem) acts as a chelating ligand and binds to the metal in a eta(2) (dem-O, O') mode. However, when cis, fac-[RuCl2(TMSO-S)(4)] is treated with K-2(dem), it prefers to bind in an unusual bridging mode (mu-dem-O, O') with the ruthenium (II) cation containing coordinated water, forming a strong hydrogen bond with the non-coordinated oxygen atoms of the 2,2-diethylmalonate ligand. The reaction products of cis,fac-[RuCl2(TMSO-S)(4)] (1) and cis, fac-[RuCl2(DMSO-S)(3)(DMSO-O)] (2) with dem are the dinuclear species with two bridging dem units, fac-[Ru(TMSO-S)(3)(H2O)(mu(2)-dem-O, O')](2) (3) and fac-[Ru(DMSO-S)(3)(H2O)(mu(2)-dem-O, O')](2) (4), respectively. The complex 3 was characterized by X-ray crystallography in which water ligands occupy anti positions with respect to each other. The NMR and X-ray study support each other with respect to dinuclear structure of 3 and 4, indicating that the dinuclear structure observed in the solid state is preserved in solution as well. The mononuclear anionic complex with chelating dem unit, K{fac-[RuCl(eta(2)-dem-O, O')(TMSO-S)(3)} (5), was also isolated from the reaction of 1 and K-2(dem) demonstrating that 5 is an intermediate in the formation of 3. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.12.003
• 作为产物：
  描述：

  四甲基亚砜 、 dichlorotetrakis(dimethylsulfoxide)ruthenium 以 further solvent(s) 为溶剂， 以65%的产率得到RuCl2(tmso)4
  参考文献：
  名称：

  新型卤素-四亚甲基亚砜-钌（II）和钌（III）配合物的合成与表征；顺-二氯四（四亚甲基亚砜）钌（II）和氢反式双（四亚甲基亚砜）四氯钌（III）的晶体结构

  摘要：

  在本文中，我们报告了以下钌（II）和钌（III）与四亚甲基亚砜（TMSO）的合成和表征：顺式RuCl2（TMSO）4（1），反式RuCl2（TMSO）4（2） ，相应的二溴衍生物顺式和反式RuBr2（TMSO）4（分别为3和4），（TMSO）H [反式-Ru（TMSO）2Cl4]（5）和mer-RuCl3（TMSO）3（6） 。首次对大多数报道的配合物进行了描述，并为先前已知的配合物1和3提供了一种新的，简便的合成途径。描述了1和2在非质子传递性非配位溶剂溶液中的化学行为。在Ru（II）衍生物中，顺式异构体在热力学上更稳定，并且在四亚甲基亚砜溶液中观察到光化学驱动的顺式至反式异构化反应。我们还报告了通过三维X射线分析确定的顺式RuCl2（TMSO）4（1）和（TMSO）H [反式Ru（TMSO）2Cl4]（5）的晶体结构。晶体数据：1，a ＝ 9.104（2），b ＝ 1.137（2），c

  DOI：

  10.1016/s0020-1693(00)85984-8

文献信息

• Reactivity of cis-[RuCl2(TMSO)4] towards carbon monoxide: synthesis, structure, and reactivity of tetramethylene sulfoxide complexes [RuCl2(CO)x(TMSO)4−x] (x=1–3)
  作者：Radhey S Srivastava、Frank R Fronczek

  DOI：10.1016/s0020-1693(03)00305-0

  日期：2003.11

  -[RuCl 2 (TMSO) 2 (CO) 2 ] ( 2 ), and fac -[RuCl 2 (TMSO)(CO) 3 ] ( 3 ). Crystal of 1 is colorless, orthorhombic, space group Pca 2 1 , a =18.4574(2) A, b =8.2509(3) A, c =12.5757(4) A. Crystal of 2 is yellow, triclinic, space group P 1 , a =8.4480(10) A, b =9.223(2) A, c =10.768(2) A, α =74.157(7)°, β =73.399(7)°, γ =83.775(8)°. Crystal of 3 is a colorless prism, monoclinic, space group P 2 1 / n , a

  摘要系统研究了顺式-[RuCl 2（TMSO）4]（TMSO =四亚甲基亚砜）对一氧化碳的反应性。顺式-[RuCl 2（TMSO）4]与CO在各种温度和环境压力下的反应导致一，二或三个TMSO配体被CO取代，具体取决于反应条件的选择。因此，我们已经能够分离出顺式-[RuCl 2（TMSO）3（CO）]（1），顺式-[RuCl 2（TMSO）2（CO）2]（2）和fac-[RuCl 2（ TMSO）（CO）3]（3）。1的晶体是无色正交晶的空间群Pca 2 1，a = 18.4574（2）A，b = 8.2509（3）A，c = 12.5757（4）A。2的晶体是黄色的三斜晶，空间群P 1 ，a = 8.4480（10）A，b = 9.223（2）A，c = 10.768（2）A，α= 74.157（7）°，β= 73.399（7）°，γ= 83.775（8）°。3的晶体是无色棱晶，单斜晶，空间群P
• Synthesis and Spectroscopic Characterization of Ruthenium Polypyridyl Complexes Containing 1,6-bis(Benzylidene)hexanediamine as Ligand
  作者：Archana Choubey、Satyendra N. Shukla、Pratiksha Gaur、Chetna Acharya

  DOI：10.14233/ajchem.2017.20351

  日期：——

  A novel bidentate ligand 1,6-bis(benzylidene)hexanediamine was synthesized and its eight ruthenium bis(bypyridine)sulphoxide complexes with the general formula [cis/trans-RuCl2(SO)2(N-N)](L); were SO = dimethyl sulphoxide (DMSO)/tetramethylene sulphoxide (TMSO), (N-N) = 1,10-phenanthroline/2,2-bipyridyl, (L) = bridging ligand were synthesized. These complexes were characterized by elemental analysis, IR, UV/visible, 1H NMR, 13C NMR and 2D NMR spectroscopy. All complexes were found to show antibacterial property against E. coli and the pyridal ligands co-ordinate through a Ru–N bond in all cases.

  合成了一种新型双齿配体 1,6-双(亚苄基)己二胺及其八种双(吡啶)亚砜钌配合物，通式为[顺式/反式-RuCl2(SO)2(N-N)](L)；合成了 SO = 二甲基亚砜（DMSO）/四亚甲基亚砜（TMSO），(N-N) = 1,10-菲罗啉/2,2-联吡啶，(L) = 桥接配体。通过元素分析、红外光谱、紫外/可见光谱、1H NMR、13C NMR 和 2D NMR 光谱对这些配合物进行了表征。研究发现，所有配合物都对大肠杆菌具有抗菌特性，并且吡啶配体在所有情况下都通过 Ru-N 键配位。
• Chan, Peter K. L.; James, Brian R.; Frost, David C., Canadian Journal of Chemistry, 1989, vol. 67, p. 508 - 516
  作者：Chan, Peter K. L.、James, Brian R.、Frost, David C.、Chan, Paul K. H.、Hu, Hong-Liang、Skov, Kirsten A.

  DOI：——

  日期：——
• A study on tailor made ruthenium sulfoxide complexes: Synthesis, characterization and application
  作者：Ripul Mehrotra、Satyendra Shukla、Pratiksha Gaur

  DOI：10.2298/jsc140704086m

  日期：——

  In this study, a dinucleating spacer incorporating two 2-aminopyridine units was used to prepare seven novel dinuclear compounds. These molecules were characterized by elemental analyses, conductivity measurements, magnetic susceptibility, FT-IR, FAB-Mass, electronic, H-1-NMR and C-13H-1}-NMR spectral studies. The complex [trans,mer-RuCl2(DMSO)(3)}(2)(mu-5,5'-methylenebis(2-aminopyridine))]center dot 2DMSO (2) was also characterized through H-1-H-1 COSY NMR. There are mainly three different formulations, [cis,fac-RuCl2( SO)(3)}(2)(mu-MBAP)]center dot 2SO; [trans,mer-RuCl2(SO)(3)}(2)(mu-MBAP)]center dot 2SO and [trans-RuCl4(SO)}(2)(mu-MBAP)](2-) [X](2)(+); where SO = DMSO / TMSO; MBAP = 5,5'-methylenebis(2-pyridinamine) and [X](+) = [(DMSO)(2)H](+), Na+ or [(TMSO)H](+). The coordination was found through cyclic nitrogen of the pyridine ring in an octahedral environment for both metal centres. The chemical behaviour of [cis, fac-RuCl2(DMSO)(3)}(2)(mu-5,5'-methylenebis(2-pyridinamine))]center dot 2DMSO (1) and (2) in aqueous solution with respect to time was observed by conductivity measurements and UV-Vis spectrophotometry. All complexes were found to possess prominent antibacterial activity against Escherichia coli in comparison to chloramphenicol and gatifloxacin.
• Unexpected formation and structure elucidation of mer-[RuCl3(TMSO)(bpy)] derived from [H(TMSO)][trans-RuCl4(TMSO)2] under mild condition
  作者：Radhey S. Srivastava、Frank R. Fronczek

  DOI：10.1016/j.ica.2004.09.040

  日期：2005.2

  Treatment of [H(TMSO)][trans-RUCl4(TMSO)(2)] (1) with 2,2'-bipyridine (bpy) in ethanol at room temperature resulted an unknown mer-[RuCl3(TMSO)(bpy)] (3) and a known cis-[RuCl2(TMSO)(4)] (4) (TMSO = tetramethylene sulfoxide) complexes. The 3 was obtained by the substitution with bpy in mer-[RuCl3(TMSO)(3)] (2), whereas 4 was obtained by one-electron reduction of 2, suggesting that 2 is a precursor for both 3 and 4. The structure of 3 was determined by single crystal X-ray diffraction. The reaction is a new synthetic procedure for 3 and/or 3 and 4 in mild reaction conditions from the anionic complex 1. It involves simultaneous substitution and redox reaction. This is the first known example of precisely characterized Ru(III)-chloride-TMSO-bpy-complex derived from anionic [H(TMSO)][trans-RuCl4(TMSO)(2)] at room temperature. (C) 2004 Elsevier B.V. All rights reserved.