Characterization of the MgO²⁺dication in the gas phase: electronic states, spectroscopy and atmospheric implications

Bimolecular reactions of the dications and trications of atoms and small molecules in the gas-phase

“…For example, recent work has indicated the chemistry of MgO 2+ may affect the measured Mg + /Mg abundance ratio in the terrestrial ionosphere. [182] With regard to the role of dications in the interstellar medium (ISM), as discussed by Bohme, [169] multiply-charged atomic dications were postulated as important in the astrophysical plasma over 50 years ago. [183,184] Interstellar molecular dications, were invoked in the 1980s as a possible contributor to the diffuse interstellar bands and, as a consequence, mechanisms for the formation of multiply charged hydrocarbon molecules in the ISM were considered.…”

Non-adiabatic interactions in charge transfer collisions

“…The divergence with quantum time-dependent approaches appears only at lower energies, below 10 V [24,25].…”

“…The collision dynamics have been calculated with the EIK ONX S program. The calculations have been extended over a wide collision energy range, from V to V , taking account of our previous study comparing semiclassical methods and wave-packet time-dependent quantum treatments [24,25].…”

The NH2+ and Be2 2+ Vibrational Spectroscopic Constants From use of the New Analytical Potential Energy Function

“…Diatomic dications are interesting ions because they can be generated as a long-lived molecule in the gas phase. The study of potential energy curves (PECs) for small dications has received growing attention in recently papers because these can provide several spectroscopic properties 1,4,5 , however, the behavior of the PEC is very different when compared with neutral and singly charged diatomic molecules: these kinds of molecules have some new features that the potential curves may have both potential minimum and maximum or singly repulsive branch ( Figure 1).…”