[tetraethylammonium][RuCl4(nitrosyl)(dimethyl sulfoxide)] | 1243303-93-6

• 英文名称: [tetraethylammonium][RuCl4(nitrosyl)(dimethyl sulfoxide)]
• CAS: 1243303-93-6
• 化学式: C₂H₆Cl₄NO₂RuS*C₈H₂₀N
• 分子量: 481.277
• InChiKey: IWELHJBNSWHMIN-UHFFFAOYSA-J

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：

  [tetraethylammonium][RuCl4(nitrosyl)(dimethyl sulfoxide)] 在 air 作用下， 以 neat (no solvent) 为溶剂， 生成 ruthenium(IV) oxide
  参考文献：
  名称：

  X-ray structures and spectral characterization of simple ruthenium(II) nitrosyl complexes involving the [RuCl4(NO)(DMSO)]− or [RuCl4(NO)(H2O)]− complex anions

  摘要：

  Three simple ruthenium nitrosyl complexes of the compositions [Et4N][RuCl4(NO)(DMS (O) under bar)](-) (1), [Bu4N][RuCl4(NO)(DMS (O) under bar)](-) (2), and [Pli(4)PI[RuCl4(NO)(H2O]center dot DMSO (3); where DMSO = dimethyl sulfoxide, Et = ethyl, Bu = butyl and Ph = phenyl, have been synthesized in the single crystal form and their molecular and crystal structures have been determined. The Ru(II) centre is six-coordinated by four chlorido ligands in the equatorial plane and by the N (from NO+) and O (from DMS (O) under bar in 1 and 2, H2O in 3) atoms in the axial positions forming an RuCI4NO donor set. The complexes have been also characterized by infrared and electronic spectroscopies, conductivity measurements, and thermogravimetric (TG) and differential thermal (DTA) analyses. The spectroscopic investigation is consistent with the (Ru(NO))(6) formulation with NO+ coordinated to the diamagnetic Ru(II) centre. The geometries of the complex anions as well as spectroscopic properties were calculated at the B3LYP/LANL2DZ/cc-pVTZ level of theory. These results were compared with those experimentally determined. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2010.05.033
• 作为产物：
  描述：

  [(dimethyl sulfoxide)2H][RuCl4(nitrosyl)(dimethyl sulfoxide)] 、 四乙基氯化铵 以 乙醇 为溶剂， 以35%的产率得到[tetraethylammonium][RuCl4(nitrosyl)(dimethyl sulfoxide)]
  参考文献：
  名称：

  X-ray structures and spectral characterization of simple ruthenium(II) nitrosyl complexes involving the [RuCl4(NO)(DMSO)]− or [RuCl4(NO)(H2O)]− complex anions

  摘要：

  Three simple ruthenium nitrosyl complexes of the compositions [Et4N][RuCl4(NO)(DMS (O) under bar)](-) (1), [Bu4N][RuCl4(NO)(DMS (O) under bar)](-) (2), and [Pli(4)PI[RuCl4(NO)(H2O]center dot DMSO (3); where DMSO = dimethyl sulfoxide, Et = ethyl, Bu = butyl and Ph = phenyl, have been synthesized in the single crystal form and their molecular and crystal structures have been determined. The Ru(II) centre is six-coordinated by four chlorido ligands in the equatorial plane and by the N (from NO+) and O (from DMS (O) under bar in 1 and 2, H2O in 3) atoms in the axial positions forming an RuCI4NO donor set. The complexes have been also characterized by infrared and electronic spectroscopies, conductivity measurements, and thermogravimetric (TG) and differential thermal (DTA) analyses. The spectroscopic investigation is consistent with the (Ru(NO))(6) formulation with NO+ coordinated to the diamagnetic Ru(II) centre. The geometries of the complex anions as well as spectroscopic properties were calculated at the B3LYP/LANL2DZ/cc-pVTZ level of theory. These results were compared with those experimentally determined. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2010.05.033