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arXiv:2003.01419 · Applied Sciences

Vibrational Quenching of Weakly Bound Cold Molecular Ions Immersed in Their Parent Gas

Krzysztof Jachymski, Florian Meinert

Published Mar 30, 2020• 5 citations
arXivHTMLPDF

Abstract

Hybrid ion–atom systems provide an excellent platform for studies of state-resolved quantum chemistry at low temperatures, where quantum effects may be prevalent. Here we study theoretically the process of vibrational relaxation of an initially weakly bound molecular ion due to collisions with the background gas atoms. We show that this inelastic process is governed by the universal long-range part of the interaction potential, which allows for using simplified model potentials applicable to multiple atomic species. The product distribution after the collision can be estimated by making use of the distorted wave Born approximation. We find that the inelastic collisions lead predominantly to small changes in the binding energy of the molecular ion.

DOI
10.3390/app10072371

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Hybrid ion–atom systems provide an excellent platform for studies of state-resolved quantum chemistry at low temperatures, where quantum effects may be prevalent. Here we study theoretically the process of vibrational relaxation of an initially weakly bound molecular ion due to collisions with the background gas atoms. We show that this inelastic process is governed by the universal long-range part of the interaction potential, which allows for using simplified model potentials applicable to multiple atomic species. The product distribution after the collision can be estimated by making use of the distorted wave Born approximation. We find that the inelastic collisions lead predominantly to small changes in the binding energy of the molecular ion.
We present a study about vibrational quenching and chemical processes of cold molecular ions immersed in an ultracold atomic gas. In particular, the quasiclassical trajectory method is applied to BaRb+(v)+Rb{\mathrm{BaRb}}^{+}(v)+\text{Rb}BaRb+(v)+Rb collisions at $T\ensuremath{\gtrsim}1\phantom{\rule{0.28em}{0ex}}\mathrm{mK}$, revealing a large vibrational quenching cross section, which follows the Langevin capture model prediction. These results play a key role in the understanding of relaxation phenomena of cold molecular ions in ultracold gases.
We investigate inelastic collision dynamics of a single cold ion in a Bose-Einstein condensate. We observe rapid ion-atom-atom three-body recombination leading to the formation of weakly bound molecular ions followed by secondary two-body molecule-atom collisions quenching the rovibrational states towards deeper binding energies. In contrast to previous studies exploiting hybrid ion traps, we work in an effectively field-free environment and generate a free low-energy ionic impurity directly from the atomic ensemble via Rydberg excitation and ionization. This allows us to implement an energy-resolved field-dissociation technique to trace the relaxation dynamics of the recombination products. Our observations are in good agreement with numerical simulations based on Langevin capture dynamics and provide a complementary means to study stability and reaction dynamics of ionic impurities in ultracold quantum gases.
Cold chemical reactions between laser-cooled Ca+ ions and Rb atoms were studied in an ion-atom hybrid trap. Reaction rate constants were determined in the range of collision energies ⟨E coll⟩/k B=20 mK-20 K. The lowest energies were achieved in experiments using single localised Ca+ ions. Product branching ratios were studied using resonant-excitation mass spectrometry. The dynamics of the reactive processes in this system (non-radiative and radiative charge transfer as well as radiative association leading to the formation of CaRb+ molecular ions) have been analysed using high-level quantum-chemical calculations of the potential energy curves of CaRb+ and quantum-scattering calculations for the radiative channels. For the present low-energy scattering experiments, it is shown that the energy dependence of the reaction rate constants is governed by long-range interactions in line with the classical Langevin model, but their magnitude is determined by short-range non-adiabatic and radiative couplings which only weakly depend on the asymptotic energy. The quantum character of the collisions is predicted to manifest itself in the occurrence of narrow shape resonances at well-defined collision energies. The present results highlight both universal and system-specific phenomena in cold ion-neutral reactive collisions.
Inducing low-energy p -wave resonances by an additional external electric field has been shown recently to be a possible way of controlling ultra-low energy atomic collisions (Krems R. V., Phys. Rev. Lett. , 96 (2006) 123202). We show here by calculation that also in molecular systems with long-range interactions there exist internal states for which a low energy p -wave resonance is clearly contributing to the scattering even at ultra-low energies, and that for this collisional regime the scattering length turns out to be positive. We thus present results for the vibrational relaxation cross-sections of H 2 , prepared in different vibrational states, in collision with Li + in that energy regime and examine the changes in scattering attributes, both in the elastic and inelastic channels, when the internal vibrational state of H 2 is modified.
Cold chemical reactions between laser-cooled Ca^+ ions and Rb atoms were studied in an ion-atom hybrid trap. Reaction rate constants were determined in the range of collision energies /k_B = 20 mK-20 K. The lowest energies were achieved in experiments using single localized Ca^+ ions. Product branching ratios were studied using resonant-excitation mass spectrometry. The dynamics of the reactive processes in this system (non-radiative and radiative charge transfer as well as radiative association leading to the formation of CaRb^+ molecular ions) have been analyzed using high-level quantum-chemical calculations of the potential energy curves of CaRb^+ and quantum-scattering calculations for the radiative channels. For the present low-energy scattering experiments, it is shown that the energy dependence of the reaction rate constants is governed by long-range interactions in line with the classical Langevin model, but their magnitude is determined by short-range non-adiabatic and radiative couplings which only weakly depend on the asymptotic energy. The quantum character of the collisions is predicted to manifest itself in the occurrence of narrow shape resonances at well-defined collision energies. The present results highlight both universal and system-specific phenomena in cold ion-neutral reactive collisions.
We present a theoretical study of rotationally elastic and inelastic collisions between molecular nitrogen ions and Rb atoms in the sub-Kelvin temperature regime prevalent in ion-atom hybrid trapping experiments. The cross sections for rotational excitation and de-excitation collisions were calculated using quantum-scattering methods on ab initio potential energy surfaces for the energetically lowest singlet electronic channel of the system. We find that the rotationally inelastic collision rates are at least an order of magnitude smaller than the charge-exchange rates found in this system, rendering inelastic processes a minor channel under the conditions of typical hybrid trapping experiments.