(AuSPh)2(trans-1,2-bis(diphenylphosphino)ethylene) | 335078-95-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (AuSPh)2(trans-1,2-bis(diphenylphosphino)ethylene)
• CAS: 335078-95-0
• 化学式: C₃₈H₃₂Au₂P₂S₂
• 分子量: 1008.68
• InChiKey: CSJFEKHQBURZIO-LUAAAXEOSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  44.0
• 可旋转键数：
  12.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  (AuCl)2(μ-cis-1,2-bis(diphenylphosphino)ethylene) 、 苯硫酚 在 KOH 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 以79%的产率得到(AuSPh)2(trans-1,2-bis(diphenylphosphino)ethylene)
  参考文献：
  名称：

  Synthesis, X-ray molecular structure analysis, and study on ligand scrambling reactions of new thiolatogold(I) complexes with various phosphines

  摘要：

  Treatment of Au(PPh3)Cl, (AuCl)(2)(trans-dpen) and (AuCl)(2)(dppfe) with Sn(SPh)(n-Bu)(3) and/or PhSH/KOH affords Au(PPh3)(SPh) (1), (AuSPh)(2)(mu -trans-dpen) (2), (AuSPh)2(mu -dppfe) (3), (AuSPh)(mu -trans-dpen)(AuCl) (4), and (AuSPh)-(mu -dppfe)(AuCl) (5) in good yields. All these thiophenolates are characterized by single crystal X-ray analysis, H-1 and P-31 NMR spectroscopy. 1 forms tetramer through Au . . . Au interaction and pi-pi interaction between the phenyl group in SPh and one of the phenyl groups in PPh3 in the solid state. An infinite chain structure is formed for 2 through intermolecular aurophilicity and these chains are connected by partial overlap (pi-pi interaction) of neighboring phenyl groups in SPh to give two-dimensional networks in the solid state. Similar infinite chains are formed through aurophilicity, but two-dimensional networks are not formed for 4 in the solid state. No multidimensional structure is formed for 3 and 5 in the solid state. H-1 and P-31 NMR spectroscopy of CDCl3 solutions of 2, 3, 4, and 5 has revealed that rapid ligand scrambling takes place for 4 and 5. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00353-4