Non-adiabatic quantum dynamics studies of the Mg+(3p) + D2 → MgD+ + D reaction

Non-adiabatic quantum dynamics study of the Mg+(3p) + D-2 reaction was carried out by using the time-dependent wave packet method. The results show that there is the triatomic complex supported by the well along the reaction path, which is manifested as metastable resonances on the probability curves. The MgD+ products are obtained via a non-adiabatic pathway, and the reaction is more efficient than the quenching progress at the selected collision energies. The product angular distributions present obvious forward scattering bias, and the weak backward scatterings are mainly contributed by the new partial waves that are opened as the collision energy increases. Further rovibrational state-resolved results reflect that the predominant forward scattering correlates with the internally hot products and the backward-scattered products occupy the colder vibrational and rotational states.

Automated summary

The study of the Mg+(3p) + D-2 reaction using the time-dependent wave packet method revealed the existence of a triatomic complex and efficient non-adiabatic pathway for MgD+ product formation. The product angular distributions demonstrated significant forward scattering bias and weak backward scatterings primarily influenced by new partial waves.