gold(III) 2,3-thiophenedithiolate decamethylferrocinium | 402483-89-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: gold(III) 2,3-thiophenedithiolate decamethylferrocinium
• 英文别名: gold(3+);iron(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;thiophene-2,3-dithiolate
• CAS: 402483-89-0
• 化学式: C₈H₄AuS₆*C₂₀H₃₀Fe
• 分子量: 815.787
• InChiKey: BXPYHCQNOQJKNQ-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  9.01
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  60.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  ferrocenium tetrafluoroborate 、 gold(III) bis(2,3-thiophenedithiolate) tetrabutylammonium 以 乙腈 为溶剂， 以76%的产率得到gold(III) 2,3-thiophenedithiolate decamethylferrocinium
  参考文献：
  名称：

  Nickel Complexes Based on Thiophenedithiolate Ligands − Magnetic Properties of Metallocenium Salts

  摘要：

  The nickel complex nBu(4)N[Ni(alpha -tpdt)(2)] (2) (alpha -tpdt = 2,3-thiophenedithiolate) has been prepared and characterized. A salt of this monoanionic paramagnetic complex, [Fe(Cp*)(2)][Ni(alpha -tpdt)(2)] (3), was obtained with decamethylferrocene, crystallizing in the monoclinic space group P2(1)/a with a = 15.443(3), b = 10.237(1), c = 20.360(2) Angstrom, beta = 107.54(1)degrees, V = 3069.1(7) Angstrom (3), Z = 4. Its structure consists of alternating cationic and anionic layers, with short interlayer contacts defining alternating cation-anion chains. Magnetic characterization of 3 at low applied magnetic fields revealed an antiferromagnetic transition at T-N = 2.56 kappa. Below T-N, 3 displays a metamagnetic behaviour with a critical field of 0.07 T at 1.6 K. The magnetic properties of this compound are compared with those of the analogous salts with diamagnetic gold dithiolate [Fe(Cp*)(2)][Au(alpha -tpdt)(2)] (4), and diamagnetic decamethylcobaltocenium, [Co(Cp*)(2)][Ni(alpha -tpdt)(2)] (5), which are also reported. This comparison shows that the ferromagnetic interactions observed in 3 are due to cation-anion intrachain interactions.

  DOI：

  10.1002/1099-0682(200112)2001:12<3127::aid-ejic3127>3.0.co;2-a