| 139944-30-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 139944-30-2
• 化学式: C₁₂H₁₁AuClN₂S
• 分子量: 447.718
• InChiKey: JDMQBORWQSMPCJ-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

• 作为反应物：
  描述：

  以 N,N-二甲基甲酰胺 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Studies on gold(II) complexes with hard and soft donor ligands. 3. Complexes with N-(2-pyridylmethyl)-2-mercaptoaniline

  摘要：

  The synthesis and characterization of gold(II) complexes with N-(2-pyridylmethyl)-2-mercaptoaniline (Hpma) are reported. Both mononuclear and dinuclear complexes are isolated by using different synthetic procedures. The solution EPR spectra of the mononuclear complexes Au(pma)X (X = Cl, Br) (1a,b) are identical and consist of four hyperfine lines of equal intensity due to the interaction of the unpaired electron with one Au-197 nucleus (I = 3/2). The solution EPR spectra of the dinuclear complexes Au2(pma)X4 (1c,d) exhibiting unsymmetrical seven-line pattern with varying intensities show that the unpaired electron is interacting with two inequivalent Au-197 nuclei. A spontaneous dissociation of these mixed-valent Au(II)/Au(III) compounds occurs in nitrobenzene solution, and ultimately a four-line EPR pattern is obtained. The Au(4f) ESCA spectrum of 1c clearly shows the presence of the Au(II) and Au(III) centers. Another dimeric compound [Au(pma)Cl]2 (1e) exhibits only a broad EPR signal in solution. Though the stoichiometries of compounds 1a and 1e are found to be identical, their structural differences are clearly reflected in their solution EPR spectra and cyclic voltammetric results. The electronic spectra of compounds 1a-e exhibit low-energy ligand field transitions in the red and near-infrared (near-IR) regions followed by intense LMCT bands in the visible region. The very small hyperfine coupling originating from the gold in these complexes is strongly indicative of the low metal character of the highest occupied molecular orbital. The large delocalization of the unpaired electron largely accounts for the experimentally observed g values.

  DOI：

  10.1021/ic00036a009
• 作为产物：
  描述：

  2-(2-Pyridyl)benzothiazolin 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Studies on gold(II) complexes with hard and soft donor ligands. 3. Complexes with N-(2-pyridylmethyl)-2-mercaptoaniline

  摘要：

  The synthesis and characterization of gold(II) complexes with N-(2-pyridylmethyl)-2-mercaptoaniline (Hpma) are reported. Both mononuclear and dinuclear complexes are isolated by using different synthetic procedures. The solution EPR spectra of the mononuclear complexes Au(pma)X (X = Cl, Br) (1a,b) are identical and consist of four hyperfine lines of equal intensity due to the interaction of the unpaired electron with one Au-197 nucleus (I = 3/2). The solution EPR spectra of the dinuclear complexes Au2(pma)X4 (1c,d) exhibiting unsymmetrical seven-line pattern with varying intensities show that the unpaired electron is interacting with two inequivalent Au-197 nuclei. A spontaneous dissociation of these mixed-valent Au(II)/Au(III) compounds occurs in nitrobenzene solution, and ultimately a four-line EPR pattern is obtained. The Au(4f) ESCA spectrum of 1c clearly shows the presence of the Au(II) and Au(III) centers. Another dimeric compound [Au(pma)Cl]2 (1e) exhibits only a broad EPR signal in solution. Though the stoichiometries of compounds 1a and 1e are found to be identical, their structural differences are clearly reflected in their solution EPR spectra and cyclic voltammetric results. The electronic spectra of compounds 1a-e exhibit low-energy ligand field transitions in the red and near-infrared (near-IR) regions followed by intense LMCT bands in the visible region. The very small hyperfine coupling originating from the gold in these complexes is strongly indicative of the low metal character of the highest occupied molecular orbital. The large delocalization of the unpaired electron largely accounts for the experimentally observed g values.

  DOI：

  10.1021/ic00036a009

文献信息

• Studies on gold(II) complexes with hard and soft donor ligands. Part IV. A reactivity study in solution using EPR spectroscopy
  作者：A.P. Koley、L.S. Prasad、P.T. Manoharan、S. Ghosh

  DOI：10.1016/s0020-1693(00)82666-3

  日期：1992.4

  reactions of Au(II) complexes, cis -[Au(mta) 2 Cl]Cl ( 1a ), trans -[Au(mta) 2 Cl]Cl ( 1b ), [Au(mta) 2 Cl] 2 Cl 2 ( 1c ), Au(pma)Cl ( 2a ), Au(pma)Br ( 2b ) and Au 2 (pma)Cl 4 ( 2c ), where mta and pma are the deprotonated ligands of o -methylthioaniline (Hmta) and N -(2-pyridylmethyl)-2-mercaptoaniline (Hpma), respectively, are reported. When these complexes are reacted with selected ligands containing

  摘要Au（II）配合物，顺式-[Au（mta）2 Cl] Cl（1a），反式-[Au（mta）2 Cl] Cl（1b），[Au（mta）2 Cl] 2 Cl的反应2（1c），Au（pma）Cl（2a），Au（pma）Br（2b）和Au 2（pma）Cl 4（2c），其中mta和pma是邻甲基甲硫基苯胺（Hmta）的去质子化配体分别报道了N-（2-吡啶基甲基）-2-巯基苯胺（Hpma）。当这些络合物与选定的含氮供体的配体反应时，所得的EPR光谱表明与引入的配体的氮配位。化合物2a和2c均与DMF溶液中的半胱氨酸（cys）反应生成稳定的反应产物[Au（pma）（cys）] 2（2e），其EPR光谱表明存在两个相互作用的金（II）离子形成二聚体系统。