溴化硫化硼 | 66904-99-2

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 类金属盐
• 中文名称: 溴化硫化硼
• 英文名称: bromothioborine
• 英文别名: Boron monobromide monosulfide；bromo(sulfanylidene)borane
• CAS: 66904-99-2
• 化学式: BBrS
• 分子量: 122.781
• InChiKey: XEUIIRCXJXTCOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.11
• 重原子数：
  3
• 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：
  32.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2,4,6-trisbromo-cyclo-1,3,5-trithia-2,4,6-triborane 以 neat (no solvent, solid phase) 为溶剂， 生成 溴化硫化硼
  参考文献：
  名称：

  The production and spectroscopic identification of bromothioborine, BrBS from the thermolysis of 2,4,6-Trisbromo-cyclo-1,3,5-trithia-2,4,6-triborane, (BrBS)3

  摘要：

  DOI：

  10.1016/s0020-1693(00)80604-0

文献信息

• Microwave spectrum for bromo(sulphido)boron, BrBS
  作者：Terrence A. Cooper、Steven Firth、Harold W. Kroto

  DOI：10.1039/ft9918700001

  日期：——

  The rotational spectrum of the transient molecule bromo(sulphido)boron, BrBS, has been observed. The molecule was produced by the high-temperature reaction between gaseous dibromo disulphide, Br2S2, and crystalline boron chips at ca. 1000 °C, and was studied by microwave spectroscopy between 26.5 and 40 GHz. The spectrum is that of a linear molecule. Ground-state rotation, distortion and quadrupole coupling constants have been obtained for 10 of the 12 isotopic variants in natural abundance. A wealth of spectroscopic data has been obtained which has allowed an extremely detailed structure analysis to be performed. The resulting bond lengths are rs(BrB)= 1.831(2)Å and rs(BS)= 1.608(2)Å. Transitions due to vibrationally excited states have also been measured and analysed to yield a range of vibration–rotation parameters.

  观察到瞬态分子溴（硫化）硼 BrBS 的旋转光谱。该分子是由气态二溴二硫化物 Br2S2 和结晶硼片在约 100 ℃下发生高温反应产生的。 1000 °C，并通过 26.5 至 40 GHz 之间的微波光谱进行研究。光谱是线性分子的光谱。已获得自然丰度的 12 种同位素变体中的 10 种的基态旋转、畸变和四极耦合常数。已经获得了大量的光谱数据，可以进行极其详细的结构分析。所得键长为 rs(BrB)= 1.831(2)Å 和 rs(BS)= 1.608(2)Å。还测量和分析了振动激发态引起的跃迁，以产生一系列振动-旋转参数。
• The production and spectroscopic identification of bromothioborine, BrBS from the thermolysis of 2,4,6-Trisbromo-cyclo-1,3,5-trithia-2,4,6-triborane, (BrBS)3
  作者：S.G. Aziz、T. Porwol、J.D. Watts、R.J. Suffolk

  DOI：10.1016/s0020-1693(00)80604-0

  日期：1988.6