Fig. 4: Photoelectron spectra of the FH2O− system. | Nature Communications

Fig. 4: Photoelectron spectra of the FH2O− system.

From: Feshbach resonances in the F + H2O → HF + OH reaction

Fig. 4

a Theoretical photoelectron spectra and reactive flux spectra of the FH2O− anion on the present neural network potential energy suface, in comparison with the spectra of Ma and Guo28. E is relative to the minimum energy of the neutral PES, i.e., the static energy of the bottom of the product hydrogen bond well. The red arrows indicate the zero-point energy of the HF + OH asymptote (0.718 eV) and F + H2O (1.488 eV) asymptote, respectively. b The HF vibrational state-resolved reactive flux spectra to HF + OH. c The comparison between the HF vibrational state-resolved reaction probabilities of the neutral reaction and the reactive flux spectra at the energy of 1.5–1.9 eV.

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