[Au(C6F5)Cl2(4-cyanopyridine)] | 1331753-77-5

• 英文名称: [Au(C6F5)Cl2(4-cyanopyridine)]
• 英文别名: [Au(C6F5)Cl2(4-CN-Py)]
• CAS: 1331753-77-5
• 化学式: C₁₂H₄AuCl₂F₅N₂
• 分子量: 539.042
• InChiKey: PRGFKSDGZKVMEE-UHFFFAOYSA-L

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：

  [Au(C6F5)(4-cyanopyridine)] 、 氯 以 四氯化碳 、 二氯甲烷 为溶剂， 生成 [Au(C6F5)Cl2(4-cyanopyridine)]
  参考文献：
  名称：

  Metal-Induced Phosphorescence in (Pentafluorophenyl)gold(III) Complexes

  摘要：

  The complexes [Au(C6F5)(2)(4-X-Py)(2)]ClO4 (X = CN (1), H (2), CH3 (3)) and [Au(C6F5)Cl-2(4-X-Py)] (X = CN (4), H (5), CH3 (6)) have been synthesized. The crystal structure of complexes 1, 3.0.5Et(2)O, 4, and 5 have been determined by X-ray diffraction methods. The photophysical behavior of all complexes has been studied experimentally through UV/vis spectroscopy and photoluminescence studies. TD-DFT calculations and full optimization of the ground state (S-0) and lowest triplet excited state (T-1) have been carried out in order to assign the photophysical properties of the complexes.

  DOI：

  10.1021/om200537w