(1-phenyldibenzophosphole)gold(III)Br3 | 138917-07-4

• 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: (1-phenyldibenzophosphole)gold(III)Br3
• CAS: 138917-07-4
• 化学式: C₁₈H₁₃AuBr₃P
• 分子量: 696.953
• InChiKey: YCFFZTRZQPRKSF-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  5.96
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• 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：
  0.0

反应信息

• 作为反应物：
  描述：

  [Au(PPh₃)Cl₃] 、 (1-phenyldibenzophosphole)gold(III)Br3 以 氘代氯仿 为溶剂， 生成 Ph₃PAuBr₃ 、 (triphenylphosphine)gold(III)ClBr2 、 (triphenylphosphine)gold(III)ClBr2 、 trans-((triphenylphosphine)gold(III)BrCl2) 、 trans-((triphenylphosphine)gold(III)BrCl2)
  参考文献：
  名称：

  Phosphole complexes of gold(III) halides: Synthesis, structure, electrochemistry and ligand redistribution reactions

  摘要：

  The complexes LAuCl3 [L = 1-phenyl-3,4-dimethylphosphole(DMPP), 1-phenyldibenzophosphole(DBP) and triphenylphosphine], LAuBr3 (L = DBP, Ph3P) and LAuClBr2 (L = DBP, Ph3P) were prepared and characterized by physical properties, cyclic voltammetry, far IR, P-31{H-1} and CP/MAS P-31{H-1} NMR spectroscopy. Ligand redistribution reactions of the types: LAuCl + L'AuBr half-arrow-right-over-half-arrow-left L'AuCl + LAuBr; LAuCl3 + LAuBr3 half-arrow-right-over-half-arrow-left LAuClnBr3-n; L'AuCl3 + L'AuBr3 half-arrow-right-over-half-arrow-left LAuClnBr3-n + L'AuClnBr3-n; and LAu Cl + L'AuBr3 half-arrow-right-over-half-arrow-left LAuBr + L'AuCl + L'AuBr + LAuClnBr3-n + L'AuClnBr3-n all occur rapidly and have been studied by P-31{H-1} NMR spectroscopy. These reactions all appear to proceed by way of halide-bridged intermediates. The solid state identities of LAuClBr2 were established by a combination of far IR and CP/MAS P-31{H-1} NMR spectroscopies and single crystal X-ray crystallography for Ph3PAuBr2Cl. The R3PAuBr2Cl complexes are substitutionally disordered, probably with two-thirds bromine and one-third chlorine in each site. Ph3PAuBr2Cl crystallized in the monoclinic space group P2(1)/c with a = 9.086(2), b = 11.410(2), c = 18.734(4) angstrom beta = 95.01-degrees(2), and Z = 4. The structure was solved by least-squares methods with R(F) = 0.074 for 1919 unique reflections with I/sigma(I) greater-than-or-equal-to 3.0. The gold atom has nearly regular square-planar coordination with Au-P = 2.314(6) A-degrees and Au-X = 2.399(3), 2.413(3) and 2.415(4) A-degrees.

  DOI：

  10.1016/s0277-5387(00)86058-1
• 作为产物：
  描述：

  (DBP)3AuBr 在 Br₂ 作用下， 以 氯仿 为溶剂， 以68.2%的产率得到(1-phenyldibenzophosphole)gold(III)Br3
  参考文献：
  名称：

  Phosphole complexes of gold(III) halides: Synthesis, structure, electrochemistry and ligand redistribution reactions

  摘要：

  The complexes LAuCl3 [L = 1-phenyl-3,4-dimethylphosphole(DMPP), 1-phenyldibenzophosphole(DBP) and triphenylphosphine], LAuBr3 (L = DBP, Ph3P) and LAuClBr2 (L = DBP, Ph3P) were prepared and characterized by physical properties, cyclic voltammetry, far IR, P-31{H-1} and CP/MAS P-31{H-1} NMR spectroscopy. Ligand redistribution reactions of the types: LAuCl + L'AuBr half-arrow-right-over-half-arrow-left L'AuCl + LAuBr; LAuCl3 + LAuBr3 half-arrow-right-over-half-arrow-left LAuClnBr3-n; L'AuCl3 + L'AuBr3 half-arrow-right-over-half-arrow-left LAuClnBr3-n + L'AuClnBr3-n; and LAu Cl + L'AuBr3 half-arrow-right-over-half-arrow-left LAuBr + L'AuCl + L'AuBr + LAuClnBr3-n + L'AuClnBr3-n all occur rapidly and have been studied by P-31{H-1} NMR spectroscopy. These reactions all appear to proceed by way of halide-bridged intermediates. The solid state identities of LAuClBr2 were established by a combination of far IR and CP/MAS P-31{H-1} NMR spectroscopies and single crystal X-ray crystallography for Ph3PAuBr2Cl. The R3PAuBr2Cl complexes are substitutionally disordered, probably with two-thirds bromine and one-third chlorine in each site. Ph3PAuBr2Cl crystallized in the monoclinic space group P2(1)/c with a = 9.086(2), b = 11.410(2), c = 18.734(4) angstrom beta = 95.01-degrees(2), and Z = 4. The structure was solved by least-squares methods with R(F) = 0.074 for 1919 unique reflections with I/sigma(I) greater-than-or-equal-to 3.0. The gold atom has nearly regular square-planar coordination with Au-P = 2.314(6) A-degrees and Au-X = 2.399(3), 2.413(3) and 2.415(4) A-degrees.

  DOI：

  10.1016/s0277-5387(00)86058-1