butylbismuth diiodide | 184963-47-1

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机过渡后金属化合物
• 英文名称: butylbismuth diiodide
• 英文别名: butyl(diiodo)bismuthane
• CAS: 184963-47-1
• 化学式: C₄H₉BiI₂
• 分子量: 519.905
• InChiKey: YQATZPWGTQOKGE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.14
• 重原子数：
  7.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  正丁基氯化镁 、 氯化铋 、 碘化铋 以 乙醚 为溶剂， 生成 butylbismuth diiodide
  参考文献：
  名称：

  Synthesis and Crystal Structure of the Alkylbismuth Diiodides:  A Family of Extended One-Dimensional Organometallic Compounds

  摘要：

  Crystals of the organometallic compounds CnH2n+1BiI2 (n = 2, 4) have been grown under solvothermal conditions, using a reaction between R(3)Bi (R = C2H5, C4H9) and BiI3, in a diethyl ether solution. Both compounds crystallize in the orthorhombic space group Pbam with the unit cell parameters a = 15.228(1) Angstrom, b = 10.964(1) Angstrom, c = 4.3505(2) Angstrom, and Z = 4, for C2H5BiI2, and a = 25.515(2) Angstrom, b = 8.4192(6) Angstrom, c = 4.3467(2) Angstrom, and Z = 3, for C4H9BiI2. The solid state structures of these two compounds, when compared with the recently reported CH3BiI2 (n = 1) structure, demonstrate that the alkylbismuth diiodides form a family of extended one-dimensional organic-inorganic materials. The framework of the RBiI(2) (R = alkyl) chains in each compound is virtually identical, with each bismuth having a square pyramidal coordination of four iodines in the basal plane and a covalently bonded terminal carbon from an alkyl group in the apical site. Each basal square shares trans edges with two nearest neighbors to form a one-dimensional BiI2 chain, with the alkyl groups aligned on one side of the BiI2 basal plane. The Bi(III) lone pair is stereochemically active and extends into the space trans to each alkyl group. The principle difference between the members of this family derives from the stacking of the RBiI(2) chains in the overall structure. This study demonstrates the flexibility to accommodate a range of different length organic constituents within a basic extended one-dimensional organometallic framework.

  DOI：

  10.1021/ic961083g