Spectroscopic observation of resonances in the F + H2 reaction
Spectroscopic observation of resonances in the F + H2 reaction
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DOI：
10.1126/science.aac6939
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发表时间：
2015-07-31
期刊：
影响因子：
56.9
通讯作者：
Manolopoulos, David E.
中科院分区：
文献类型：
--
作者：
Kim, Jongjin B.;Weichman, Marissa L.;Manolopoulos, David E.
FH2-和FD2-阴离子的光分离光谱允许直接观察基准反应F + H-2 - b> H-F + h的反应共振。使用冷却阴离子前体和高分辨率电子能谱仪，我们观察到几个在以前的实验中没有看到的窄峰。基于高度精确的F + H-2势能表面的理论计算，令人信服地将这些峰分配给与HF + H和DF + D产物排列中的准束缚态相关的共振，以及与F + H-2反应过渡态区域中的准束缚态相关的共振。计算还揭示了反应物排列中的准束缚态，这还有待实验解决。
Photodetachment spectroscopy of the FH2- and FD2- anions allows for the direct observation of reactive resonances in the benchmark reaction F + H-2 -> H-F + H. Using cooled anion precursors and a high-resolution electron spectrometer, we observe several narrow peaks not seen in previous experiments. Theoretical calculations, based on a highly accurate F + H-2 potential energy surface, convincingly assign these peaks to resonances associated with quasibound states in the HF + H and DF + D product arrangements and with a quasibound state in the transition state region of the F + H-2 reaction. The calculations also reveal quasibound states in the reactant arrangement, which have yet to be resolved experimentally.