二碘化甲基铋 | 185553-60-0

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 中文名称: 二碘化甲基铋
• 英文名称: methylbismuth diiodide
• 英文别名: methyl bismuth (2+); methyl bismuth diiodide；Methyl-wismut(2+); Methylwismutdijodid
• CAS: 185553-60-0
• 化学式: CH₃BiI₂
• 分子量: 477.824
• InChiKey: HKOWDPHDYILBCP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.79
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二碘化甲基铋 以 neat (no solvent, solid phase) 为溶剂， 生成 bismuth(I) iodide 、 bismuth(I) iodide
  参考文献：
  名称：

  Synthesis and Solid State Chemistry of CH₃BiI₂:  A Structure with an Extended One-Dimensional Organometallic Framework

  摘要：

  Red needle-like crystals of the title compound were grown using a reaction between Bi metal and methyl iodide under solvothermal conditions. CH3BiI2 crystallizes in the monoclinic space group C2/m with an unusual one-dimensional organic-inorganic chain-like structure. The Bi atoms have a square pyramidal local geometry, with four I atoms forming the base and one methyl group occupying an apical site. Each basal square shares trans edges with two nearest neighbors to form a one-dimensional inorganic BiI2 chain along the b-axis. All methyl groups are covalently bonded to bismuth atoms and are aligned on one side of the BiI2 basal plane. The organic-inorganic chains are held together via van der Waals interaction, forming an extended solid state structural array. Extended Huckel band structure calculations demonstrate electronic one-dimensionality for CH3BiI2. Molecular modeling suggests that the square pyramidal Bi coordination arises primarily to reduce Bi-C antibonding character in the HOMO. The resulting Bi 6s and 6p hybridization in the valence band (HOMO) leads to a stereochemically active lone pair oriented trans to each methyl group. Thermal stability and decomposition of the title compound is examined using GC mass spectroscopy and simultaneous TGA and DTA techniques. CH3BiI2 begins to decompose at 185 degrees C in an inert atmosphere into methyl iodide and bismuth monoiodide, providing a new pathway to the formation of the interesting low valency one-dimensional conductor, Bil.

  DOI：

  10.1021/ja961753h
• 作为产物：
  描述：

  三甲基铋 在 碘甲烷 作用下， 生成 二碘化甲基铋
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Bi: Org.Verb., 1.5.1.1.4, page 120 - 120

  摘要：

  DOI：

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Bi: Org.Verb., 1.3.3.1.1, page 46 - 55
  作者：

  DOI：——

  日期：——
• Preparation and properties of dibismuthines
  作者：Arthur J. Ashe、Edward G. Ludwig、Josef Oleksyszyn

  DOI：10.1021/om50006a027

  日期：1983.12
• Marquardt, A., Berichte der Deutschen Chemischen Gesellschaft, 1887, vol. 20, p. 1516 - 1523
  作者：Marquardt, A.

  DOI：——

  日期：——
• Marquardt, Chemische Berichte, 1887, vol. 20, p. 1517
  作者：Marquardt

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Bi: Org.Verb., 1.4.1.1.4, page 102 - 103
  作者：

  DOI：——

  日期：——