[NBu(n)4][Au(2-[(4,5-ethylenedithio)-1,3-dithiole-2-ylidene]-1,3-dithiole-4,5-dithiolate)2] | 181217-74-3

• 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: [NBu(n)4][Au(2-[(4,5-ethylenedithio)-1,3-dithiole-2-ylidene]-1,3-dithiole-4,5-dithiolate)2]
• CAS: 181217-74-3
• 化学式: C₁₆H₈AuS₁₆*C₁₆H₃₆N
• 分子量: 1152.73
• InChiKey: MNGSBMGDJPORJZ-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  14.8
• 重原子数：
  50.0
• 可旋转键数：
  12.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  [NBu(n)4][Au(2-[(4,5-ethylenedithio)-1,3-dithiole-2-ylidene]-1,3-dithiole-4,5-dithiolate)2] 在 I₂ 作用下， 以 苯甲腈 为溶剂， 以70%的产率得到[NBu(n)4]0.06[Au(2-[(4,5-ethylenedithio)-1,3-dithiole-2-ylidene]-1,3-dithiole-4,5-dithiolate)2]
  参考文献：
  名称：

  Extended bisdithiolene metal complexes: preparation and electrical conductivities of [M(C8H4S8)2] anion complexes (M = Ni(II), Pt(II), Au(III))

  摘要：

  A precursor compound of the new dithiolato ligand with an extended pi-electron system, C8H4S82- (2-[(4,5-ethylenedithio)-1,3-dithiole-2-ylidene]-1,3-dithiole-4,5-dithiolate) , was synthesized. [NBu(4)(n)] [Au(C8H4S8)(2)], [NBu(4)(n)](0.06)[Au(C8H4S8)(2)], Na-1.5[Ni(C8H4S8)(2)] and [NBu(4)(n)](0.4)[Pt(C8H4S8)(2)] were prepared. The partially oxidized species exhibit electrical conductivities of 0.2-17 S cm(-1) ' at room temperature as compacted pellets. The redox potentials of the gold( III) complex were determined. IR, electronic absorption and powder reflectance spectra of the complexes as well as the X-ray photoelectron spectra are discussed.

  DOI：

  10.1016/s0020-1693(96)05145-6
• 作为产物：
  描述：

  sodium tetrachloroaurate(III) dihyrate 、 四丁基溴化铵 、 4,5-bis(p-acetoxybenzylsulfanyl)-4',5'-ethylenedisulfanyltetrathiafulvalene 在 Na 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以80%的产率得到[NBu(n)4][Au(2-[(4,5-ethylenedithio)-1,3-dithiole-2-ylidene]-1,3-dithiole-4,5-dithiolate)2]
  参考文献：
  名称：

  Extended bisdithiolene metal complexes: preparation and electrical conductivities of [M(C8H4S8)2] anion complexes (M = Ni(II), Pt(II), Au(III))

  摘要：

  A precursor compound of the new dithiolato ligand with an extended pi-electron system, C8H4S82- (2-[(4,5-ethylenedithio)-1,3-dithiole-2-ylidene]-1,3-dithiole-4,5-dithiolate) , was synthesized. [NBu(4)(n)] [Au(C8H4S8)(2)], [NBu(4)(n)](0.06)[Au(C8H4S8)(2)], Na-1.5[Ni(C8H4S8)(2)] and [NBu(4)(n)](0.4)[Pt(C8H4S8)(2)] were prepared. The partially oxidized species exhibit electrical conductivities of 0.2-17 S cm(-1) ' at room temperature as compacted pellets. The redox potentials of the gold( III) complex were determined. IR, electronic absorption and powder reflectance spectra of the complexes as well as the X-ray photoelectron spectra are discussed.

  DOI：

  10.1016/s0020-1693(96)05145-6