propa-1,2-dien-1-ylideneborane | 350245-72-6

• 分子结构分类: 有机化合物 - 有机金属化合物
• 英文名称: propa-1,2-dien-1-ylideneborane
• CAS: 350245-72-6
• 化学式: C₃B
• 分子量: 46.844
• InChiKey: BSLMTEKEEOPSCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.42
• 重原子数：
  4.0
• 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：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  propa-1,2-dien-1-ylideneborane 以 solid matrix 为溶剂， 生成 1,2-Diborylethyne
  参考文献：
  名称：

  Vibrational spectra of linear BC3 and linear B2C2 in argon at 10 K

  摘要：

  The vibrational spectra of linear BC3 and linear B2C2 in an argon matrix at 10 K have been observed for the first time by Fourier transform infrared spectroscopy. Mixtures of boron and carbon powders were vaporized in a resistively heated (∼3000 K) oven. BC3 was produced during codeposition of the vapors with argon onto a CsI substrate maintained at 10 K; B2C2 was observed only after annealing the matrices. Frequencies measured at 2002.1 and 1512.5 cm−1 have been assigned to the ν1(σ) and ν2(σ) B–C stretching fundamentals of linear BC3 and a frequency measured at 955.0 cm−1 has been assigned to the ν3(σu) stretching fundamental of linear symmetric BC2B. These assignments are based on FTIR measurements of the majority of the BC3 and B2C2 isotopomer frequencies and are consistent with the results from Rittby’s collaborative ab initio study.

  DOI：

  10.1063/1.478468
• 作为产物：
  描述：

  硼烷 、 甲烷 以 neat (no solvent) 为溶剂， 生成 propa-1,2-dien-1-ylideneborane
  参考文献：
  名称：

  Vibrational spectra of linear BC3 and linear B2C2 in argon at 10 K

  摘要：

  The vibrational spectra of linear BC3 and linear B2C2 in an argon matrix at 10 K have been observed for the first time by Fourier transform infrared spectroscopy. Mixtures of boron and carbon powders were vaporized in a resistively heated (∼3000 K) oven. BC3 was produced during codeposition of the vapors with argon onto a CsI substrate maintained at 10 K; B2C2 was observed only after annealing the matrices. Frequencies measured at 2002.1 and 1512.5 cm−1 have been assigned to the ν1(σ) and ν2(σ) B–C stretching fundamentals of linear BC3 and a frequency measured at 955.0 cm−1 has been assigned to the ν3(σu) stretching fundamental of linear symmetric BC2B. These assignments are based on FTIR measurements of the majority of the BC3 and B2C2 isotopomer frequencies and are consistent with the results from Rittby’s collaborative ab initio study.

  DOI：

  10.1063/1.478468