| 56617-28-8

• 分子结构分类: 无机化合物
• CAS: 56617-28-8
• 化学式: BrKr
• 分子量: 163.704
• InChiKey: OPBJIDJILCEYRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.85
• 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：

  三溴甲烷 、 氪气 以 neat (no solvent, gas phase) 为溶剂， 生成
  参考文献：
  名称：

  A beam experiment on excimer formation in collisions of Kr*(³P₀), Kr*(³P₂), and Xe* atoms with Br‐containing molecules

  摘要：

  The reactions of metastable Kr* and Xe* atoms with several Br-containing molecules are studied with a beam-gas experimental apparatus. For Kr*, state selection of the metastable atom beam is employed to investigate the influence of the initial fine-structure state Kr*(3P0) and Kr*(3P2) on the reaction. Trial-and-error simulation of the observed emission spectra results in modified potential energy curves for the X, A(3/2), B, and C states of the KrBr and XeBr excimer products and corresponding transition moments. The propensity for conservation of the Kr+(2P1/2) ion core in the reactions of Kr*(3P0) is observed to be between 36% and 51%, depending on the target, while for the Kr+(2P3/2) core the propensity is close to 100%. This is in general agreement with the results of Sadeghi, Cheaib, and Setser [J. Chem. Phys. 90, 219 (1989)] for Ar*. The reactive cross section is appreciably smaller for Kr*(3P0) than for Kr*(3P2). For several reagents, the analysis leads to a preference for formation of KrBr and XeBr in the C state, different from results of flowing afterglow experiments. This points to incomplete correction for collisional relaxation and for overlap of B→X and C→A(3/2) emission in previous work. For most reagents, the vibrational distributions are analogous for both XeBr and KrBr in both the C and B states. For XeBr(B), the results are generally in agreement with the work of Tamagake, Kolts, and Setser [J. Chem. Phys. 74, 4286 (1981)].

  DOI：

  10.1063/1.464546