REACTION DYNAMICS. Spectroscopic observation of resonances in the F + H2 reaction

Photodetachment spectroscopy of the FH2(-) and FD2(-) anions allows for the direct observation of reactive resonances in the benchmark reaction F + H2 → HF + H. Using cooled anion precursors and a high-resolution electron spectrometer, we observe several narrow peaks not seen in previous experiments...

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Bibliographic Details
Published in:Science (American Association for the Advancement of Science) 2015-07, Vol.349 (6247), p.510-513
Main Authors: Kim, Jongjin B, Weichman, Marissa L, Sjolander, Tobias F, Neumark, Daniel M, Kłos, Jacek, Alexander, Millard H, Manolopoulos, David E
Format: Article
Language:English
Online Access:Get full text
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Summary:Photodetachment spectroscopy of the FH2(-) and FD2(-) anions allows for the direct observation of reactive resonances in the benchmark reaction F + H2 → HF + 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 + H2 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 + H2 reaction. The calculations also reveal quasibound states in the reactant arrangement, which have yet to be resolved experimentally.
ISSN:1095-9203
DOI:10.1126/science.aac6939