Bi[2,6-pyridine dicarboxylate][OH2]F | 1360460-52-1

• 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
• 英文名称: Bi[2,6-pyridine dicarboxylate][OH2]F
• CAS: 1360460-52-1
• 化学式: Bi*C₇H₃NO₄*F*H₂O
• 分子量: 411.099
• InChiKey: MSRPCAMOFIWDEJ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -6.39
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  124.65
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  Bi[2,6-pyridine dicarboxylate][OH2]F 以 neat (no solvent) 为溶剂， 生成 bismuth(III) oxide
  参考文献：
  名称：

  Bi[NC5H3(CO2)2](OH2)xF (x=1 and 2): New one-dimensional Bi-coordination materials—Reversible hydration and topotactic decomposition to α-Bi2O3

  摘要：

  Two one-dimensional bismuth-coordination materials, Bi[NC5H3(CO2)(2)](OH2)(x)F (x=1 and 2), have been synthesized by hydrothermal reactions using Bi2O3, 2,6-NC5H3(CO2H)(2), HF, and water at 180 degrees C. Structures of the two materials were determined by single-crystal X-ray diffraction. Although they have different crystal structures, both Bi-organic materials shared a common structural motif, a one-dimensional chain structure consisting of Bi3+ cations and pyridine dicarboxylate linkers. Detailed structural analyses include infrared spectroscopy, thermogravimetric analysis, and reversible hydration reactions for the coordinated water molecules were reported. Also, thermal decomposition of the rod-shaped Bi[NC5H3(CO2)(2)](OH2)F single crystals at 800 degrees C led to alpha-Bi2O3 that maintained the same morphology of the original crystals. (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2011.12.044
• 作为产物：
  描述：

  Bi[2,6-pyridine dicarboxylate]F 在 air 作用下， 以 neat (no solvent) 为溶剂， 生成 Bi[2,6-pyridine dicarboxylate][OH2]F
  参考文献：
  名称：

  Bi[NC5H3(CO2)2](OH2)xF (x=1 and 2): New one-dimensional Bi-coordination materials—Reversible hydration and topotactic decomposition to α-Bi2O3

  摘要：

  Two one-dimensional bismuth-coordination materials, Bi[NC5H3(CO2)(2)](OH2)(x)F (x=1 and 2), have been synthesized by hydrothermal reactions using Bi2O3, 2,6-NC5H3(CO2H)(2), HF, and water at 180 degrees C. Structures of the two materials were determined by single-crystal X-ray diffraction. Although they have different crystal structures, both Bi-organic materials shared a common structural motif, a one-dimensional chain structure consisting of Bi3+ cations and pyridine dicarboxylate linkers. Detailed structural analyses include infrared spectroscopy, thermogravimetric analysis, and reversible hydration reactions for the coordinated water molecules were reported. Also, thermal decomposition of the rod-shaped Bi[NC5H3(CO2)(2)](OH2)F single crystals at 800 degrees C led to alpha-Bi2O3 that maintained the same morphology of the original crystals. (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2011.12.044