dichlorobis(dimethylsulfoxide)(o-phenylenediamine)ruthenium(II) | 118578-54-4

• 英文名称: dichlorobis(dimethylsulfoxide)(o-phenylenediamine)ruthenium(II)
• 英文别名: RuCl2(DMSO)2(o-pndn)；[Ru(S-DMSO)2(trans-Cl2)(opda)]；RuCl2(DMSO)2(o-phenylenediamine)
• CAS: 118578-54-4；908280-24-0
• 化学式: C₁₀H₂₀Cl₂N₂O₂RuS₂
• 分子量: 436.389
• InChiKey: MXAXIUBNJJXKDN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
  None
• sp3杂化的碳原子比例：
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• 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：

  甲醇 、 dichlorobis(dimethylsulfoxide)(o-phenylenediamine)ruthenium(II) 、 氨 以 二氯甲烷 为溶剂， 以96%的产率得到diammino(o-benzoquinonediimine)dichlororuthenium(II)
  参考文献：
  名称：

  The Very Covalent Diammino(o-benzoquinonediimine) Dichlororuthenium(II). An Example of Very Strong π-Back-Donation

  摘要：

  The syntheses and X-ray structures of the complexes Ru( S-dmso) Cl-2( opda) ( 1) and Ru( NH3)(2)Cl-2( bqdi) ( 2) are described ( opda = o-phenylenediamine, bqdi = o-benzoquinonediimine). Optical absorption and emission, vibrational ( resonance Raman), and electrochemical data are discussed. We explore the nature of the ruthenium benzoquinone electronic interaction in species 2 primarily within the framework of density functional theory ( DFT) but also using INDO/S to extract Coulombic and exchange integrals. The resonance Raman and emission data were understood in terms of a common set of coupled vibrations localized primarily within the ruthenium metallacycle ring. Experimental and computational data were also compared among a select group of ruthenium bqdi species with other spectator ligands, specifically ammonia, 2,2'-bipyridine, and 2,4-pentanedione. The changes in the electrochemistry, optical spectroscopy, and vibrational spectra with changing spectator ligand donicity were explained within a common theoretical ( DFT) model which further provided a detailed analysis of the variation in the molecular orbital descriptions. With the application of an extended charge decomposition analysis ( ECDA), a detailed picture emerged of the bonding between the bqdi ligand and the metal atom, illustrating the coupling between the orbitals of each fragment as a function of orbital symmetry and charge transfer between the fragments of the complex. Metal-to-bqdi pi-back-donation is seen to be very important.

  DOI：

  10.1021/ic060220z
• 作为产物：
  描述：

  邻苯二胺 、 tetrakis(dimethylsulfoxide)dichlororuthenium(II) 以 乙醇 为溶剂， 以88%的产率得到dichlorobis(dimethylsulfoxide)(o-phenylenediamine)ruthenium(II)
  参考文献：
  名称：

  The Very Covalent Diammino(o-benzoquinonediimine) Dichlororuthenium(II). An Example of Very Strong π-Back-Donation

  摘要：

  The syntheses and X-ray structures of the complexes Ru( S-dmso) Cl-2( opda) ( 1) and Ru( NH3)(2)Cl-2( bqdi) ( 2) are described ( opda = o-phenylenediamine, bqdi = o-benzoquinonediimine). Optical absorption and emission, vibrational ( resonance Raman), and electrochemical data are discussed. We explore the nature of the ruthenium benzoquinone electronic interaction in species 2 primarily within the framework of density functional theory ( DFT) but also using INDO/S to extract Coulombic and exchange integrals. The resonance Raman and emission data were understood in terms of a common set of coupled vibrations localized primarily within the ruthenium metallacycle ring. Experimental and computational data were also compared among a select group of ruthenium bqdi species with other spectator ligands, specifically ammonia, 2,2'-bipyridine, and 2,4-pentanedione. The changes in the electrochemistry, optical spectroscopy, and vibrational spectra with changing spectator ligand donicity were explained within a common theoretical ( DFT) model which further provided a detailed analysis of the variation in the molecular orbital descriptions. With the application of an extended charge decomposition analysis ( ECDA), a detailed picture emerged of the bonding between the bqdi ligand and the metal atom, illustrating the coupling between the orbitals of each fragment as a function of orbital symmetry and charge transfer between the fragments of the complex. Metal-to-bqdi pi-back-donation is seen to be very important.

  DOI：

  10.1021/ic060220z

文献信息

• Complexes of Ruthenium(III) with dimethylsulphoxide—I. [Ru2Cl6(DMSO)4], fac and mer isomers of [RuCl3(DMSO)3]: Versatile starting materials for the synthesis of ruthenium(III) complexes
  作者：Uma Charan Sarma、K.P. Sarma、Raj K. Poddar

  DOI：10.1016/s0277-5387(00)80404-0

  日期：1988.1

  Abstract Ruthenium(III) complexes with dimethylsulphoxide (DMSO), [RuCl 3 (DMSO) 2 ] 2 and [RuCl 3 (DMSO) 3 ] were synthesized and characterized by physical methods. The fac and mer isomers of [RuCl 3 (DMSO) 3 ], were obtained. The fac isomer has all S-bonded DMSO whereas mer has both S- and O-bonded DMSO molecules. The above three compounds were reacted with S, P, As, N and O donor ligands leading

  摘要合成了钌（III）与二甲亚砜（DMSO），[RuCl 3（DMSO）2] 2和[RuCl 3（DMSO）3]的配合物，并通过物理方法对其进行了表征。获得了[RuCl 3（DMSO）3]的fac和mer异构体。fac异构体具有所有S键结合的DMSO，而mer具有S键和O键结合的DMSO分子。根据反应条件和引入配体的性质，使上述三种化合物与S，P，As，N和O供体配体反应，导致部分或完全取代DMSO分子。S，P和As供体配体可完全取代DMSO分子，而N和O供体配体通常可部分取代。制备并表征的新化合物为[RuCl 3 L 2（DMSO）]（其中L = py，CH 3 CN； L 2 = 1,10-菲咯啉，2,2'-联吡啶）和[Ru（acac）（DMSO） 2 Cl 2]。
• Hydrolytic cleavage of Schiff bases by [RuCl2(DMSO)4]
  作者：Duraiswamy Sukanya、Michael R. Evans、Matthias Zeller、Karuppannan Natarajan

  DOI：10.1016/j.poly.2007.05.055

  日期：2007.9

  New hexa-coordinated Ru(II) complexes of the type [RuCl2(DMSO)(2)(diamine)] (diamine = o-phenylenediamine and ethylenediamine) have been prepared by reacting cis-[RuCl2(DMSO)(4)] with Schiff bases (H(2)sal-en, 1; H,nap-en, 2; H(2)sal-o-pdn, 3; H(2)nap-o-pdn, 4) in a 1:1 ratio. The ligands, which were expected to act as tetradentate (N2O2) chelates under the normal reaction conditions, were found to undergo hydrolytic cleavage to form the diamine and the corresponding aldehyde. All the complexes have been characterized by analytical and spectroscopic (IR, electronic and(1)H NMR) data. Single-crystal X-ray analysis of the complex [RUCl2(DMSO)(2)(o-pndn)] revealed that the coordination environment around the ruthenium metal consists of a N2S2Cl2 octahedron. (c) 2007 Elsevier Ltd. All rights reserved.