| 176251-90-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 176251-90-4
• 化学式: C₂₆H₂₆Au₂P₂S
• 分子量: 826.439
• InChiKey: HRXMUQOZIQDHOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  31.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  、 [Au(PPh2Me)(OTf)] 以 二氯甲烷 为溶剂， 以77%的产率得到
  参考文献：
  名称：

  Aurophilicity at sulfur centers. Synthesis of the polyaurated species [S(AuPR3)n](n−2)+ (n = 2–6)

  摘要：

  The reaction of two equivalents of [AuCl(PR(3))] with Li2S in ethanol leads to the dinuclear complexes [S(AuPR(3))(2)] (PR(3)=PPh(3), PPh(2)Me, P(p-Tol)(3)), which contain bridging sulfide ligands. These complexes can add AuPR(3)(+) fragments stepwise to form the cationic species [S(AuPR(3))3](+), [S(AuPR(3))(4)](2+), [S(AuPR(3))(5)](3+) and [S(AuPR(3))(6)](4+). The reaction of [S(AuPR(3))(2)] with different AuPR'(+)(3) fragments affords the mixed complexes [S(AuPR(3))(n)(AuPR'(3))(m)]((n+m-2)+) (n+m=5 or 6). The crystal structures of the complexes [S(AuPPh(2)Me)(3)](OTf) and [S(AuPPh(3))(4)](ClO4)(2) have been established by X-ray diffraction. [S(AuPPh(2)Me)(3)](OTf) : triclinic, space group P (1) over bar, a=11.547(4), b=12.750(5), c=15.355(6) Angstrom, a=97.55(3), beta=104.02(2), gamma=102.41(3)degrees, Z=2, T=-130 degrees C. In the crystal the cations are paired across symmetry centers with short intermolecular S ... Au and Au ... Au contacts. [S(AuPPh(3))(4)](ClO4)(2): monoclinic, space group P2(1)/n, a=18.028(10), b=29.23(2), c=18.183(10) Angstrom, beta=116.23(5)degrees, Z=4, T=-100 degrees C. The structure of the cation is square pyramidal, with the sulfur in the apical position; intramolecular gold-gold interactions are observed.

  DOI：

  10.1016/0020-1693(95)04759-x
• 作为产物：
  描述：

  lithium sulfide 、 氯(甲基二苯膦)金(I) 以 乙醇 为溶剂， 以41%的产率得到
  参考文献：
  名称：

  Aurophilicity at sulfur centers. Synthesis of the polyaurated species [S(AuPR3)n](n−2)+ (n = 2–6)

  摘要：

  The reaction of two equivalents of [AuCl(PR(3))] with Li2S in ethanol leads to the dinuclear complexes [S(AuPR(3))(2)] (PR(3)=PPh(3), PPh(2)Me, P(p-Tol)(3)), which contain bridging sulfide ligands. These complexes can add AuPR(3)(+) fragments stepwise to form the cationic species [S(AuPR(3))3](+), [S(AuPR(3))(4)](2+), [S(AuPR(3))(5)](3+) and [S(AuPR(3))(6)](4+). The reaction of [S(AuPR(3))(2)] with different AuPR'(+)(3) fragments affords the mixed complexes [S(AuPR(3))(n)(AuPR'(3))(m)]((n+m-2)+) (n+m=5 or 6). The crystal structures of the complexes [S(AuPPh(2)Me)(3)](OTf) and [S(AuPPh(3))(4)](ClO4)(2) have been established by X-ray diffraction. [S(AuPPh(2)Me)(3)](OTf) : triclinic, space group P (1) over bar, a=11.547(4), b=12.750(5), c=15.355(6) Angstrom, a=97.55(3), beta=104.02(2), gamma=102.41(3)degrees, Z=2, T=-130 degrees C. In the crystal the cations are paired across symmetry centers with short intermolecular S ... Au and Au ... Au contacts. [S(AuPPh(3))(4)](ClO4)(2): monoclinic, space group P2(1)/n, a=18.028(10), b=29.23(2), c=18.183(10) Angstrom, beta=116.23(5)degrees, Z=4, T=-100 degrees C. The structure of the cation is square pyramidal, with the sulfur in the apical position; intramolecular gold-gold interactions are observed.

  DOI：

  10.1016/0020-1693(95)04759-x