Feshbach resonances in the F + H₂O → HF + OH reaction.

ABSTRACT: Transiently trapped quantum states along the reaction coordinate in the transition-state region of a chemical reaction are normally called Feshbach resonances or dynamical resonances. Feshbach resonances trapped in the HF-OH interaction well have been discovered in an earlier photodetchment study of FH₂O^-; however, it is not clear whether these resonances are accessible by the F + H₂O reaction. Here we report an accurate state-to-state quantum dynamics study of the F + H₂O → HF + OH reaction on an accurate newly constructed potential energy surface. Pronounced oscillatory structures are observed in the total reaction probabilities, in particular at collision energies below 0.2 eV. Detailed analysis reveals that these oscillating structures origin

SUBMITTER: Zhang X 

PROVIDER: S-EPMC6957676 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature