Quantum dynamical investigation of product state distributions of the F + CH 3 OH → HF + CH 3 O reaction via photodetachment of the F - (HOCH 3 ) anion

The photodetachment of the F (HOCH ) anion, which sheds light on the post-transition-state dynamics of the F + CH OH → HF + CH O reaction, is investigated using a reduced-dimensional quantum wave packet method on ab initio based potential energy surfaces for both the neutral and anionic species. The detachment of an electron in the anion precursor produces both bound and resonance species in a hydrogen-bonded potential well in the product channel, in qualitative agreement with the photoelectron-photofragment coincidence (PPC) spectrum. The measured photoelectron-photofragment coincidence spectroscopy is reproduced by the quantum calculations. Our results indicated that the HF product is vibrationally excited, while the OCH product is internally cold, thus providing unambiguous assignments of the experimental spectrum.