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arXiv:2105.10749 · Physical Review A

Electric-field dissociation of weakly bound molecular ions

Jesús Pérez‐Ríos

Published Sep 13, 2021• 4 citations
arXivHTMLPDF

Abstract

We present a study on the dissociation of a weakly bound molecular ion in the presence of an external time-dependent electric field based on a full quantum treatment of the dynamics. We focus on the dissociation dynamics of a molecular ion in a Paul trap relevant for atom-ion hybrid traps. Our results show that a weakly bound molecular ion survives in a Paul trap giving a theoretical ground to previous experimental findings [A. Kr\"ukow et al. Phys. Rev. Lett. 116, 193201 (2016) and A. Mohammadi et al., Phys. Rev. Research 3, 013196 (2021)]. In particular, we find that weakly bound molecular ions are more likely to survive in traps with a large rf frequency. Similarly, we show that applying an electric field ramp is an efficient method to state-selectively detect weakly bound molecular ions, analogous to the well-known selective field ionization technique applied in Rydberg atoms.

DOI
10.1103/physreva.104.l031302

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We present a study on the dissociation of a weakly bound molecular ion in the presence of an external time-dependent electric field based on a full quantum treatment of the dynamics. We focus on the dissociation dynamics of a molecular ion in a Paul trap relevant for atom-ion hybrid traps. Our results show that a weakly bound molecular ion survives in a Paul trap giving a theoretical ground to previous experimental findings [A. Kr"ukow et al. Phys. Rev. Lett. 116, 193201 (2016) and A. Mohammadi et al., Phys. Rev. Research 3, 013196 (2021)]. In particular, we find that weakly bound molecular ions are more likely to survive in traps with a large rf frequency. Similarly, we show that applying an electric field ramp is an efficient method to state-selectively detect weakly bound molecular ions, analogous to the well-known selective field ionization technique applied in Rydberg atoms.
We have developed an efficient computational scheme for integration of the classical Hamilton equations describing the ion dynamics confined in the radio-frequency field of the Paul trap. It has permitted a quantitative treatment of cold atom-ion resonant collisions in hybrid atom-ion traps with taking into account unremovable ion micromotion caused by the radio-frequency fields (V.S. Melezhik et. al., Phys. Rev. A100, 063406 (2019)). The important element of the hybrid atom-ion systems is the electromagnetic Paul trap confining the charged ion. The oscillating motion of the confined ion is defined by two frequencies of the Paul trap. It is the frequency of the order of 100 kHz due to the constant electric field and the radio-frequency of about 1-2 MHz defined by the alternating electromagnetic field of the ion trap. The necessity to accurately treat the ion motion in the combined field with two time scales defined by these two very different frequencies has demanded to develop the stable computational scheme for integration of the classical Hamilton equations for the ion motion. Moreover, the scheme must be stable on rather long time-interval of the ion collision with the cold atom ∼ 10 × 2/ defined by the atomic trap frequency ∼ 10 kHz and in the moment of the atom-ion collision when the Hamilton equations are strongly coupled. The developed numerical method takes into account all these features of the problem and makes it possible to integrate the system of coupled quantum-semiclassical equations with the necessary accuracy and quantitatively describes the processes of atomic-ion collisions in hybrid traps, including resonance effects.
Linear Paul traps use radio frequency fields to confine ions for long times in deep potentials. The simplicity and versatility of these devices has led to their use in a wide variety of fields, from mass spectroscopy to quantum information. Within the past fifteen years, beginning with pioneering work at UConn, Paul traps have been combined with atom traps to form hybrid atom-ion traps. Hybrid traps serve as platforms for measuring ion-atom interaction rates, sympathetically cooling atomic and molecular ions, and studying the behavior of trapped ions. This work discusses simulations, analytical theory, and experiments in a hybrid trap that show a previously unknown dynamical effect in a population of trapped ions. The steady state trapped ion number in a Paul trap is non-monotonic with the loading rate of the Paul trap. This effect is universal to both Linear and 3D Paul traps and is likely to be found in other types of ion traps as well because it is the result of the Coulomb interaction in the presence of a trap. This behavior also affects the decay of ions from the trap. Understanding the loading and decay behavior from a saturated Linear Paul trap is important for the study of ion-atom interactions in a hybrid trap when the ions lack optical transitions.
Trapped molecular ions in pure rovibronic states are desirable in experiments ranging from cold chemistry to searches for physics beyond the Standard Model. Resonance-enhanced multiphoton ionisation (REMPI) can be used to prepare molecular ions in specific internal states with high fidelities. However, in the presence of electric fields, ionisation spectra exhibit frequency shifts and the ionisation thresholds are broadened. For this reason, REMPI studies are normally conducted in low and highly homogeneous electric fields, whereas the operating principle of rf ion traps requires electric fields that vary in space and time. In order to investigate the impact of this on the state-selectivity of REMPI in ion traps, we have simulated the expected broadening of the ionisation threshold under various operating conditions of a typical linear Paul trap. In many cases, the width of the ionisation threshold exceeds the separation between rotational energy levels, preventing state-selective ionisation. Careful choice of the trapping and laser parameters during loading can reduce this broadening, enabling state-selective ionisation in some instances. Where this strategy is not sufficient, the broadening can be reduced further by rapidly switching the trapping voltages off and on again during loading. This has been demonstrated experimentally for a Coulomb crystal of [Formula: see text] ions without descrystallising it.
Heavy-Rydberg ion-pair states, molecular quantum systems that are bound by their long-range pure Coulomb attraction, are formed through Rydberg atom collisions with molecules that attach low energy electrons. Collisions of potassium Rydberg atoms K(np) with the attaching species CCl4 and SF6 lead, respectively, to dissociative and non-dissociative electron attachment with subsequent formation of bound ion-pair states K+..Cl- and K+..SF6-.\nThe experimental apparatus used to produce and detect heavy-Rydberg ion-pair states consists of a reaction region and a separate analysis region. It separates a fraction of the product ion pairs from the parent Rydberg atoms, eliminating spurious background signals associated with blackbody-induced and electric-field ionization of Rydberg atoms. A position sensitive detector in the analysis region is employed to measure their velocity, angular, and binding energy distribution and lifetimes. Measurements of the spatial distribution of ion pairs provide information on their velocity and angular distributions, and their binding energy distribution is measured using electric field-induced dissociation. The lifetime of the ion-pair states is influenced by multiple processes including internal-to-translational energy transfer, autodetachment of the electron, and neutralization through charge transfer.\nThe experimental results are compared with the results of a Monte Carlo collision code that models both the initial Rydberg electron attachment and the subsequent evolution and molecular dynamics of the ion pairs. This model highlights the factors such as the kinematics of the Rydberg atom and the attaching particle and energy released in dissociation (in the case of dissociative attachment) that are important in governing ion pair formation. The model calculations are in good agreement with the experimental data.
Advances in research in fields such as quantum information and quantum chemistry require subtle methods for trapping particles, including ions, neutral atoms, and molecules. Here, we propose a hybrid ion-trapping method that combines a Paul trap with optical tweezers. This trap incorporates both the deep-potential characteristic of the Paul trap and the micromotion-free nature of the optical dipole trap. By modulating the optical dipole trap synchronously with the radio-frequency voltage of the Paul trap, the alternating electrical force in the trap center is fully counteracted, and the micromotion temperature of a cold trapped ion can reach the nanokelvin scale, while the trap depth exceeds 300 K. These features will allow cold collisions between an ion and an atom in the sss-wave regime and stably trap the produced molecular ion in the cold hybrid system. This provides a unique platform for probing the interactions between the ions and the surrounding neutral particles and enables the investigation of new reaction pathways and reaction products in the cold regime.