Au(C11H8N)[2-[(4,5-ethylenedithio)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-dithiolate] | 557788-42-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: Au(C11H8N)[2-[(4,5-ethylenedithio)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-dithiolate]
• 英文别名: (η2-C,N-C-deprotonated-2-phenylpyridine)Au(η2-S,S-C8H4S8)
• CAS: 557788-42-8
• 化学式: C₁₉H₁₂AuNS₈
• 分子量: 707.805
• InChiKey: SBKRDEGWGBRHRZ-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：
  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：

  Au(C11H8N)[2-[(4,5-ethylenedithio)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-dithiolate] 、 tetraethylammonium hexafluorophosphate 以 苯甲腈 为溶剂， 生成 [Au(C-dehydro-2-phenylpyridine(1-))(2-((4,5-ethylenedithio)-1,3-dithiole-2-ylidene)-1,3-dithiole-4,5-dithiolate)]2PF6
  参考文献：
  名称：

  X‐ray Crystal Structure and Electrical Conductivity of [Au(ppy)(C ₈ H ₄ S ₈ )] ₂ [PF ₆ ] [ppy ⁻ = C ‐deprotonated 2‐phenylpyridine(−); C ₈ H ₄ S ₈ ²⁻ = 2‐{(4,5‐ethylenedithio)‐1,3‐dithiol‐2‐ylidene}‐1,3‐dithiole‐4,5‐dithionate(2−)]

  摘要：

  AbstractCrystals of [Au(ppy)(C8H4S8)]2[PF6] [ppy− = C‐deprotonated 2‐phenylpyridine(−); C8H4S82− = 2‐{(4,5‐ethylenedithio)‐1,3‐dithiol‐2‐ylidene}‐1,3‐dithiole‐4,5‐dithiolate(2−)] were prepared by current‐controlled electrolysis of a benzonitrile solution of [Au(ppy)(C8H4S8)] with [NEt4][PF6] as an electrolyte. The X‐ray crystal structure analysis revealed the formation of a columnar stacking of two crystallographically independent cations in formally the 0.5‐electron‐oxidized state. Cation moieties with some S−S non‐bonded contacts (< 3.7 Å) along the a and b axes form a two‐dimensional sheet, with the molecular interaction parallel to the ab plane. The electrical conductivities measured for a crystal at room temperature were 9.2 and 0.0028 S cm−1 along the a and c axes, respectively. From the activation energy for the electron conduction determined by the conductivities measured for a compacted pellet the complex was estimated to be metallic from room temperature to 110 K. The energy‐band calculation for the oxidized species showed two‐dimensional electron conduction through the column. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200300378
• 作为产物：
  描述：

  dichloro(C-deprotonated-2-phenylpyridine)gold(III) 、 4,5-bis(cyanoethylthio)-1,3-dithiole-2-[(4,5-ethylenedithio)-1,3-dithiole-2-ylidene] 在 sodium 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 以83%的产率得到Au(C11H8N)[2-[(4,5-ethylenedithio)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-dithiolate]
  参考文献：
  名称：

  10.1016/s0022-328x(03)00004-4

  摘要：

  DOI：

  10.1016/s0022-328x(03)00004-4