tris-pentadeuterioethyl-borane | 119113-15-4

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: tris-pentadeuterioethyl-borane
• 英文别名: Tris-pentadeuterioaethyl-boran；Tris(1,1,2,2,2-pentadeuterioethyl)borane；tris(1,1,2,2,2-pentadeuterioethyl)borane
• CAS: 119113-15-4
• 化学式: C₆H₁₅B
• 分子量: 112.877
• InChiKey: LALRXNPLTWZJIJ-NLBPYYKNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.54
• 重原子数：
  7
• 可旋转键数：
  3
• 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：
  0

反应信息

• 作为产物：
  描述：

  乙烯-d4 在 diborane-d6 作用下， 生成 tris-pentadeuterioethyl-borane
  参考文献：
  名称：

  Infrared Spectra of Trimethylborane‐d₉ and Triethylborane‐d₁₅

  摘要：

  The infrared spectra of B(CD3)3 and B(C2D5)3 are reported in the 2 to 15 μ range. After minor revisions of a previous frequency assignment for B(CH3)3, the force constants obtained from a modified valence force treatment of B(CH3)3 have been used to calculate and assign the frequencies of B(CD3)3. This assignment is consistent with frequency values predicted from a study of other methyl-deuterated compounds. Agreement with the Teller-Redlich product rule is fair. An interesting and perhaps unexpected feature is the upward shift of the B–C asymmetric stretching frequency upon deuteration; the correctness of the assignment of that vibration was verified by use of B10(CD3)3. In the latter part of this article, the observed bands of B(C2D5)3 are assigned.

  DOI：

  10.1063/1.1730505