title: Resonances in the Ne + H2(+) → NeH(+) + H proton-transfer reaction.
abstract: We investigated the oscillations found in the integral cross section of the title reaction, which are particularly evident for Ne + H2(+)(v0 = 2,j0 = 1) [essentially isoenergetic with NeH(+)(v' = 0,j' = 0) + H] at low collision energy (Ecol < 0.30 eV). We employed mainly an exact time-independent (TI) quantum dynamics method and used the best potential energy surface available. From analysis of TI initial state selected to all integral cross sections, state-to-state integral cross sections, and the corresponding differential cross sections (DCSs), we showed that the oscillations correspond to resonances. They arise from the influence of the global [Ne-H-H](+) (collinear) minimum on dynamics and probably correspond to Feshbach resonances. Besides, the forward-backward peaking DCS (which oscillates with Ecol) behavior observed could be a signature for this type of resonances. Finally, as most data on resonances in bimolecular reactions correspond to neutral systems, we hope that the present results will encourage experimentalists to re-examine this benchmark system.
authors.affiliation: Departament de Química Física and IQTC, Universitat de Barcelona , C/Martí i Franqués 1, 08028 Barcelona, Spain.
authors.forename: Pablo
authors.initials: P
authors.lastname: Gamallo
authors.forename: Fermín
authors.initials: F
authors.lastname: Huarte-Larrañaga
authors.forename: Miguel
authors.initials: M
authors.lastname: González