Rh(III)(η5-cyclopentadienyl) 2-[(4,5-ethylenedithio)-1,3-dithiole-2-ylidene]-1,3-dithiole-4,5-dithiolate | 764656-16-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫醇
• 英文名称: Rh(III)(η5-cyclopentadienyl) 2-[(4,5-ethylenedithio)-1,3-dithiole-2-ylidene]-1,3-dithiole-4,5-dithiolate
• 英文别名: cyclopenta-1,3-diene;2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiole-4,5-dithiolate;rhodium(3+)
• CAS: 764656-16-8
• 化学式: C₁₃H₉RhS₈
• 分子量: 524.648
• InChiKey: PZFAOQHOUZVPJT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 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：

  Rh(III)(η5-cyclopentadienyl) 2-[(4,5-ethylenedithio)-1,3-dithiole-2-ylidene]-1,3-dithiole-4,5-dithiolate 、 溴 以 二氯甲烷 为溶剂， 以30%的产率得到
  参考文献：
  名称：

  Properties of Organometallic Sulfur‐Rich Dithiolate Complexes [M(L)(C ₈ H ₄ S ₈ )] (M = Rh ^III and Ir ^III ; L = η ⁵ ‐C ₅ H ₅ and η ⁵ ‐C ₅ Me ₅ ) and Their Oxidation

  摘要：

  Abstract[Rh(η5‐C5H5)(C8H4S8)] and [M(η5‐C5Me5)(C8H4S8)] [M = RhIII and IrIII. C8H4S82− = 2‐{(4,5‐ethylenedithio)‐1,3‐dithiole‐2‐ylidene}‐1,3‐dithiole‐4,5‐dithiolate(2−)] were prepared by reactions of [NMe4]2[C8H4S8] with [Rh(η5‐C5H5)Cl2]2 or [M(η5‐C5Me5)Cl2]2 (M = Rh and Ir). They exhibit oxidation potentials of between +0.16 and +0.24 V (versus Ag/Ag+) with oxidation of the dithiolate ligand. The geometries and electronic states of their one‐electron‐oxidized species [M(L)(C8H4S8)]+ and [RhX(L)(C8H4S8)] (M = Rh and Ir; X = Br and I; L = η5‐C5H5 and η5‐C5Me5), obtained by reactions of the above complexes with bromine, iodine, or the ferrocenium cation are discussed based on their ESR spectra. The oxidized η5‐C5Me5‐metal complexes exhibit electrical conductivities of between 10−6 and 10−4 S cm−1, while some oxidized η5‐C5H5‐Rh complexes show conductivities of between 10−3 and 10−2 S cm−1 measured for compacted pellets at room temperature. The X‐ray crystal structures of the two‐electron‐oxidized species [MI(η5‐C5Me5)(C8H4S8)](I3) (M = Rh and Ir) were also clarified. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)

  DOI：

  10.1002/ejic.200300790
• 作为产物：
  描述：

  μ2-dichlorobis(chloro(cyclopentadienyl)rhodium) 、 [NMe4]2[(2-((4,5-ethylenedithio)-1,3-dithiol-2-ylidene)-1,3-dithiol-4,5-dithionate(2-))] 以 乙醇 、 二氯甲烷 为溶剂， 以89%的产率得到Rh(III)(η5-cyclopentadienyl) 2-[(4,5-ethylenedithio)-1,3-dithiole-2-ylidene]-1,3-dithiole-4,5-dithiolate
  参考文献：
  名称：

  Properties of Organometallic Sulfur‐Rich Dithiolate Complexes [M(L)(C ₈ H ₄ S ₈ )] (M = Rh ^III and Ir ^III ; L = η ⁵ ‐C ₅ H ₅ and η ⁵ ‐C ₅ Me ₅ ) and Their Oxidation

  摘要：

  Abstract[Rh(η5‐C5H5)(C8H4S8)] and [M(η5‐C5Me5)(C8H4S8)] [M = RhIII and IrIII. C8H4S82− = 2‐{(4,5‐ethylenedithio)‐1,3‐dithiole‐2‐ylidene}‐1,3‐dithiole‐4,5‐dithiolate(2−)] were prepared by reactions of [NMe4]2[C8H4S8] with [Rh(η5‐C5H5)Cl2]2 or [M(η5‐C5Me5)Cl2]2 (M = Rh and Ir). They exhibit oxidation potentials of between +0.16 and +0.24 V (versus Ag/Ag+) with oxidation of the dithiolate ligand. The geometries and electronic states of their one‐electron‐oxidized species [M(L)(C8H4S8)]+ and [RhX(L)(C8H4S8)] (M = Rh and Ir; X = Br and I; L = η5‐C5H5 and η5‐C5Me5), obtained by reactions of the above complexes with bromine, iodine, or the ferrocenium cation are discussed based on their ESR spectra. The oxidized η5‐C5Me5‐metal complexes exhibit electrical conductivities of between 10−6 and 10−4 S cm−1, while some oxidized η5‐C5H5‐Rh complexes show conductivities of between 10−3 and 10−2 S cm−1 measured for compacted pellets at room temperature. The X‐ray crystal structures of the two‐electron‐oxidized species [MI(η5‐C5Me5)(C8H4S8)](I3) (M = Rh and Ir) were also clarified. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)

  DOI：

  10.1002/ejic.200300790