| 591214-43-6

• CAS: 591214-43-6
• 化学式: C₂₆H₆₀Bi₂Br₆O₁₂P₄
• 分子量: 1586.04
• InChiKey: ZZRQDWYCYKPFMO-UHFFFAOYSA-H

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 neat (no solvent, solid phase) 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, structural characterisation, thermal behaviour and electrospray ionisation mass spectrometric studies of bismuth(III) halide complexes with (iso-PrO)2(O)PCH2P(O)(Oiso-Pr)2

  摘要：

  The bismuth halides BiX3 (X = Cl, Br, 1) react with the chelating oxygen-coordinating-donor ligand (iso-PrO)(2)(O)PCH2-P(O)(Oiso-Pr)(2) (L) to give one-to-one complexes, which have been characterised by single crystal X-ray-diffraction, IR spectroscopy, thermal analysis, NMR-spectroseopy, electrospray ionisation mass spectrometry (ESI MS) and conductivity measurements. In the solid state the complexes [BiX3L](2) (1, X = Cl; 2 X = Br; 3, X = 1) show a dimeric bi-octahedral structure. Thermolysis analyses show that amorphous bismuth phosphonates are formed when the bulk material is heated to temperatures in the range 160-180 degreesC. The liberation of iso-PrX (X = Cl, Br, 1) and propene is observed in this temperature range. The solid state structures are not retained in solution and electrospray ionisation mass spectrometry of CH3CN solutions of 1-3 revealed the presence of compounds such as [(iso -PrO)(2)(O)PCH2P(O)(Oiso-Pr)(2)H](+), [BiX2L2](+) and [BiX4](-) (X = Cl, Br, I). (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01477-9
• 作为产物：
  描述：

  亚甲基二磷酸四异丙酯 、 溴化铋 以 乙醚 为溶剂， 以94%的产率得到
  参考文献：
  名称：

  Synthesis, structural characterisation, thermal behaviour and electrospray ionisation mass spectrometric studies of bismuth(III) halide complexes with (iso-PrO)2(O)PCH2P(O)(Oiso-Pr)2

  摘要：

  The bismuth halides BiX3 (X = Cl, Br, 1) react with the chelating oxygen-coordinating-donor ligand (iso-PrO)(2)(O)PCH2-P(O)(Oiso-Pr)(2) (L) to give one-to-one complexes, which have been characterised by single crystal X-ray-diffraction, IR spectroscopy, thermal analysis, NMR-spectroseopy, electrospray ionisation mass spectrometry (ESI MS) and conductivity measurements. In the solid state the complexes [BiX3L](2) (1, X = Cl; 2 X = Br; 3, X = 1) show a dimeric bi-octahedral structure. Thermolysis analyses show that amorphous bismuth phosphonates are formed when the bulk material is heated to temperatures in the range 160-180 degreesC. The liberation of iso-PrX (X = Cl, Br, 1) and propene is observed in this temperature range. The solid state structures are not retained in solution and electrospray ionisation mass spectrometry of CH3CN solutions of 1-3 revealed the presence of compounds such as [(iso -PrO)(2)(O)PCH2P(O)(Oiso-Pr)(2)H](+), [BiX2L2](+) and [BiX4](-) (X = Cl, Br, I). (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01477-9