Imaging Dynamics on the F + H2O → HF + OH Potential Energy Surfaces from Wells to Barriers

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Science  09 Jan 2014:
DOI: 10.1126/science.1247424

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The study of gas-phase reaction dynamics has advanced to a point where four-atom reactions are the proving ground for detailed comparisons between experiment and theory. Here, a combined experimental and theoretical study of the dissociation dynamics of the tetra-atomic FH2O system is presented, providing snapshots of the F + H2O → HF + OH reaction. Photoelectron-photofragment coincidence measurements of the dissociative photodetachment (DPD) of the F (H2O) anion revealed various dissociation pathways along different electronic states. A distinct photoelectron spectrum of stable FH–OH complexes was also measured and attributed to long-lived Feshbach resonances. Comparison to full-dimensional quantum calculations confirms the sensitivity of the DPD measurements to the subtle dynamics on the low-lying FH2O potential energy surfaces over a wide range of nuclear configurations and energies.

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