硼-11B氧化物 | 77704-22-4

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 类金属有机物
• 中文名称: 硼-11B氧化物
• 中文别名: 氧化硼-11B
• 英文名称: boric oxide
• 英文别名: Boron-11B oxide；oxo(oxo(11B)oxy)(11B)borane
• CAS: 77704-22-4
• 化学式: B₂O₃
• 分子量: 69.9982
• InChiKey: JKWMSGQKBLHBQQ-ZCWHFVSRSA-N

物化性质

• 熔点：
  450 °C (lit.)
• 密度：
  2.474 g/mL at 25 °C (lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.07
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 安全说明：
  S26,S36

反应信息

• 作为产物：
  描述：

  氧气 、 硼烷 以 gaseous matrix 为溶剂， 生成 硼-11B氧化物 、 boron dioxide
  参考文献：
  名称：

  Reactions of boron atoms with molecular oxygen. Infrared spectra of BO, BO₂, B₂O₂, B₂O₃, and BO⁻₂ in solid argon

  摘要：

  Boron atoms from Nd:YAG laser ablation of the solid have been codeposited with Ar/O2 samples on a 11±1 K salt window. The product infrared spectrum was dominated by three strong 11B isotopic bands at 1299.3, 1282.8, and 1274.6 cm−1 with 10B counterparts at 1347.6, 1330.7, and 1322.2 cm−1. Oxygen isotopic substitution (16O18O and 18O2 ) confirms the assignment of these strong bands to ν3 of linear BO2. Renner–Teller coupling is evident in the ν2 bending motion. A sharp medium intensity band at 1854.7 has appropriate isotopic ratios for BO, which exhibits a 1862.1 cm−1 gas phase fundamental. A sharp 1931.0 cm−1 band shows isotopic ratios appropriate for another linear BO2 species; correlation with spectra of BO−2 in alkali halide lattices confirms this assignment. A weak 1898.9 cm−1 band grows on annealing and shows isotopic ratios for a BO stretching mode and isotopic splittings for two equivalent B and O atoms, which confirms assignment to B2O2. A weak 2062 cm−1 band grows markedly on annealing and shows isotope shifts appropriate for a terminal–BO group interacting with another oxygen atom; the 2062 cm−1 band is assigned to B2O3 in agreement with earlier work. A strong 1512.3 cm−1 band appeared on annealing; its proximity to the O2 fundamental at 1552 cm−1 and pure oxygen isotopic shift suggest that this absorption is due to a B atom–O2 complex.

  DOI：

  10.1063/1.461814