论文部分内容阅读
采用 266 nm紫外激光对间氟溴苯和对氟溴苯进行了光解动力学研究,在多个角度探测了光解碎片 Br和 C6H4F的时间飞渡谱 (TOF).从光解碎片的平动能分布 P(Et)可以得到:间氟溴苯和对氟溴苯大约有 46.8%和 41.7%的可资用能分配到碎片的平动能,其余的分配到碎片的内能;且各向异性参数被确定为 0.7和- 0.4.为了更好地解释实验结果,我们利用从头计算方法对反应体系进行了计算,并与实验结果吻合 .由此,我们提出了比较合理的光解机理且对氟原子的取代效应进行了讨论 .
The photolysis kinetics of m-Bromofluorobenzene and p-Bromofluorobenzene were studied by 266 nm ultraviolet laser, and the time-of-flight (TOF) spectra of Br and C6H4F photolysis fragments were detected at various angles. The kinetic energy distribution, P (Et), shows that about 46.8% and 41.7% of m-fluorene and p-bromofluorobenzene are available to translate the kinetic energy of their distribution to fragments and the rest to the internal energy of fragments; and anisotropy The parameters were determined to be 0.7 and - 0.4. In order to better explain the experimental results, we calculated the reaction system by ab initio method and fitted the experimental results. Thus, we proposed a more reasonable mechanism of photolysis, Atomic substitution effects are discussed.