barium bromide | 14832-97-4

• 分子结构分类: 无机化合物 - 均质非金属化合物
• 英文名称: barium bromide
• CAS: 14832-97-4
• 化学式: BaBr
• 分子量: 217.234
• InChiKey: JSABOYKKUTWHQF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.46
• 重原子数：
  2.0
• 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

• 作为产物：
  描述：

  三氟溴甲烷 、 barium 以 neat (no solvent) 为溶剂， 生成 barium bromide
  参考文献：
  名称：

  Bimodal vibrational distribution of BaBr in the reaction Ba+CF₃Br

  摘要：

  Nascent vibrational distributions of BaBr were studied for the reaction Ba+CF3Br →BaBr+CF3. In a crossed beam configuration of supersonic CF3Br beam and effusive Ba beam, the product state distribution was measured by the laser induced fluorescence as a function of collision energy. The vibrational distribution of BaBr clearly showed a bimodal feature. At low collision energy, BaBr was produced preferentially around ν″=32, while at some higher collision energy, another vibrational component gained intensity at around ν″=15. The average vibrational energy of the higher vibrational component was about 80% of the total available energy, and that of the lower, about 35%. The bimodality of vibrational distribution indicates that the reaction Ba+CF3Br proceeds along two reaction pathways. In one pathway, Ba approaches in the direction of Br–CF3, and forms BaBr in low vibrational states. Whereas in the other, the atom approaches in the CF3–Br direction, and leads to a high vibrational excitation of BaBr. The branching ratio to the former pathway increases with collision energy.

  DOI：

  10.1063/1.447664

文献信息

• Gupta, Arunava; Perry, David S.; Zare, Richard N., Journal of Chemical Physics, 1980, vol. 72, p. 6227 - 6236
  作者：Gupta, Arunava、Perry, David S.、Zare, Richard N.

  DOI：——

  日期：——
• Collision energy dependence of vibrational/rotational distribution of BaBr produced in the crossed beam reaction Ba+CH₃Br
  作者：Toshiaki Munakata、Yutaka Matsumi、Takahiro Kasuya

  DOI：10.1063/1.446014

  日期：1983.8.15

  The energy disposal in the reaction Ba+CH3Br→BaBr+CH3 was studied as a function of collision energy. The collision energy was controlled in the range from 2.9 and 4.9 kcal/mol by variable acceleration of a supersonic CH3Br beam which intersected a thermal Ba beam. The internal states of the nascent BaBr were probed by means of the laser induced fluorescence (LIF). Systematic simulations of the observed LIF spectra revealed that an increase of collision energy brought about a drastic decrease of vibrational excitation. The vibrational quantum of maximum population shifted from 12 to 1 in accordance with a collision energy increment of only 2 kcal/mol. Surprisal analysis of the vibrational population suggests that the collision energy increment causes a transition between two reaction paths, one of which leads to vibrationally excited BaBr of maximum population at around ν″=12, and the other, to internally cold CH3 and statistically excited BaBr.