thallium(I) 2,4-dinitrophenoxide | 32707-04-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: thallium(I) 2,4-dinitrophenoxide
• CAS: 32707-04-3
• 化学式: C₆H₃N₂O₅*Tl
• 分子量: 387.483
• InChiKey: BHSSNHBAEQKTAL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  14.0
• 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：
  109.34
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  thallium(I) 2,4-dinitrophenoxide 、 三氟甲磺酸酐 以80%的产率得到2,4-dinitrophenyl trifluoromethanesulfonate
  参考文献：
  名称：

  Chapman, T. M.; Freedman, E. A., Synthesis

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4-二硝基酚 、 thallium(I) nitrate 在 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以50%的产率得到thallium(I) 2,4-dinitrophenoxide
  参考文献：
  名称：

  Syntheses and characterization of thallium(I) complexes with 3-nitrophenoxide [Tl(3-np)], 4-nitrobenzoate [Tl(4-nb)] and 2,4-dinitrophenoxide [Tl(2,4-dnp)]: X-ray crystal structures of [Tl(3-np)]n and Tl(2,4-dnp) (two new polymeric compounds)

  摘要：

  Complexes thallium(I)3-nitrophenoxide [Tl(3-np)], thallium(I)2,4-dinitrophenoxide [Tl(2,4-dnp)] and thallium(I)4-nitrobenzoate [Tl(4-nb)] have been synthesized using a direct reaction between TlNO3 and the appropriate ligand. The complexes have been isolated and characterized by IR spectra and CHN elemental analyses. The structures of [Tl(3-np)](n) and [Tl(2,4-dnp)] have been confirmed by X-ray crystallography. The single crystal X-ray crystallography of [Tl(3-np)](n) shows the complex to be a one-dimensional polymer as a result of bridging 3-nitrophenoxide ligands. The Tl atoms have an unsymmetrical three-coordinate, O-3 geometry (three oxygen atoms of the 3-nitrophenoxide ligand). The crystal structure of [Tl(2,4-dnp)] shows the complex to be a three-dimensional polymer as a result of bridging 2,4-dinitrophenoxide ligands. The Tl atoms have an unsymmetrical two-coordinate, O-2 geometry (two oxygen atoms of the 2,4-dinitrophenoxide ligand). The arrangement of the 3-nitrophenoxide and 2,4dinitrophenoxide ligands suggests a gap in coordination geometry around the Tl(I) ions, occupied possibly by a stereoactive lone pair of electrons on Tl(I). There is a pi-pi stacking interaction between the parallel aromatic rings belonging to adjacent chains in the compounds that may help to increase the 'gap' in coordination geometry around the Tl(I) ions. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01230-5

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.2, 1.3.1, page 76 - 99
  作者：

  DOI：——

  日期：——