bismuth oxide iodate | 1316858-53-3

• 英文名称: bismuth oxide iodate
• 英文别名: oxobismuthanylium;iodate
• CAS: 1316858-53-3
• 化学式: BiO*IO₃
• 分子量: 399.882
• InChiKey: GABJAFMCWSGRRM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -7.06
• 重原子数：
  6.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.25
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  bismuth oxide iodate 以 neat (no solvent) 为溶剂， 生成 bismuth(III) oxide
  参考文献：
  名称：

  BiO(IO₃): A New Polar Iodate that Exhibits an Aurivillius-Type (Bi₂O₂)²⁺ Layer and a Large SHG Response

  摘要：

  A new noncentrosymmetric (NCS) and polar material containing two lone-pair cations, Bi3+ and I5+, and exhibiting an Aurivillius-type (Bi2O2)(2+) layer has been synthesized and structurally characterized. The material, BiO(IO3), exhibits strong second-harmonic generation (SHG), similar to 12.5 x KDP (or similar to 500 x alpha-SiO2), using 1064 nm radiation, and is found in the NCS polar orthorhombic space group Pca2(1) (No. 29). The structure consists of (Bi2O2)(2+) cationic layers that are connected to (IO3)(-) anions. The macroscopic polarity, observed along the c-axis direction, may be attributed to the alignment of the IO3 polyhedra. In addition to the crystal structure and SHG measurements, polarization and piezoelectric measurements were performed, as well as electronic structure analysis.

  DOI：

  10.1021/ja205456b
• 作为产物：
  描述：

  bismuth(III) oxide 、 碘酸 在 tetrafluoroboric acid 作用下， 以 水 为溶剂， 生成 bismuth oxide iodate
  参考文献：
  名称：

  Bi₃OF₃(IO₃)₄: Metal Oxyiodate Fluoride Featuring a Carbon-Nanotube-like Topological Structure with Large Second Harmonic Generation Response

  摘要：

  DOI：

  10.1021/acs.chemmater.6b05468

文献信息

• Acentric Polyborate, Li₃[B₈O₁₂(OH)₃], with a New Type of Anionic Layer and Li Atoms in the Cavities
  作者：Elena L. Belokoneva、Olga V. Dimitrova

  DOI：10.1021/ic302230z

  日期：2013.4.1

  Single crystals of Li-3[B8O12(OH)(3)] were synthesized under hydrothermal conditions using a complex initial composition that included SiO2. The crystal structure is acentric, space group P (6) over bar 2c, with a = 8.9301(2) angstrom and c = 15.9962(4) angstrom, and Z = 4. New double three-membered rings of hexaborate blocks and monoborate triangles are connected into a polyborate anionic layer. Although the new structure is similar to double ring silicate Na3Y[Si6O15], detailed comparison of the anionic groups demonstrates principal differences between silicates and borates. Sodium silicate was proposed as an intrinsic fast ion conductor, and for the new borate Li ionic conductivity is very probable, as Li atoms in it are in positions similar to the Na atoms in the silicate.