Eur. Phys. J. D 54, 31-41 (2009)
https://doi.org/10.1140/epjd/e2009-00162-1

Exchanging the ionic partner in a linear Paul trap: the MgH⁺(X¹Σ⁺) ion with neutral Rb(²S)

Department of Chemistry, University of Rome La Sapienza, Città Universitaria, P.le A. Moro 5, 00185 Rome, Italy

Corresponding author: ^a tacconi@caspur.it

Received: 29 October 2008
Revised: 30 March 2009
Published online: 6 June 2009

Abstract

In the present computational study we discuss the behavior of the MgH⁺(X¹Σ⁺) molecular ion interacting with Rb(²S) and argue that it constitutes an amenable system for ultracold chemistry studies in a Coulomb crystal environment. In particular, we find from our calculations that there is a number of different ways in which this system can chemically evolve and we present results from a diabatic representation of the potential energy surfaces (PESs) of the electronic states which are relevant for the realistic description of an experimental setup in which a cloud of ultracold laser-cooled Rb atoms is superimposed onto a Coulomb crystal arrangement of MgH⁺ molecular ions. Our findings suggest the most likely pathways for either the formation of a new Coulomb crystal of Rb ions or the combination of cold Mg⁺, MgH⁺ and Rb⁺ mixtures within the trap under consideration.