| 158701-20-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 158701-20-3
• 化学式: C₃₇H₃₂Au₂P₂
• 分子量: 932.542
• InChiKey: TUHVUXOSHKLIJW-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  双(氯金(I))双(二苯基膦)甲烷 、 苯基锂 以 乙醚 为溶剂， 以53%的产率得到
  参考文献：
  名称：

  Luminescent organometallic gold(I) complexes. Structure and photophysical properties of alkyl-, aryl- and µ-ethynylene gold(I) complexes

  摘要：

  The complexes [Au(PPh3)Ph] 1, [Au2(dppm)Me2] 2, [Au2(dppm)Ph2] 3 and [{Au(P(C6H4OMe-p)3]}2-(mu-C=C)] 4 were prepared by literature methods. The structures of 1-3 have been established by X-ray crystallography: 1, triclinic, space group P1BAR, a = 8.524(2), b = 15.227(2), c = 15.525 angstrom, alpha = 91.07(1), beta = 92.06(1), gamma = 94.28(1)degrees; 2, monoclinic, space group P2(1)/n, a = 12.201 (3) b = 13.014(5), c = 16.329(4) angstrom, beta = 94.11 (2)degrees; 3, monoclinic, space group C2/c, a = 16.688(3), b = 10.468(1), c = 17.8992) angstrom, beta = 97.70(1)degrees. The intramolecular Au ... Au distances in 2 and 3 are 3.251(1) and 3.154(1) angstrom respectively. Extended-Huckel molecular orbital calculations showed that the highest occupied molecular orbital of 3 is a combination of d(sigma*) and d(delta*), whereas its lowest unoccupied molecular orbital is the pi* of the co-ordinated phenyl group. The UV/VIS absorption spectra of 2 and 3 show intense absorptions at around 290-300 nm, which are assigned as Au (d(sigma*), d(delta*)) --> pi*(Ph, dppm) in nature. Both 2 and 3 show luminescence in fluid solution at room temperature. The emission properties of 3 have been examined in detail. Complex 4 shows a well resolved vibronic structured emission at 400-600 nm in dichloromethane at room temperature, arising from the 3[pipi*] excited state of C-2(2-).

  DOI：

  10.1039/dt9940001867