Emulating isomerization with two-dimensional Coulomb crystals

TL;DR

This paper demonstrates how two-dimensional Coulomb crystals can emulate molecular isomerization processes, allowing controlled studies of energy landscapes, transition dynamics, and potential quantum superpositions in a highly tunable physical system.

Contribution

It introduces a novel platform using ion Coulomb crystals to emulate and study molecular isomerization mechanisms with real-time control and measurement capabilities.

Findings

Controlled isomerization via aspect ratio tuning

Identification of bistability regions in the crystal configurations

Estimation of crystal temperature through transition rate analysis

Abstract

Isomerization, i.e. the rearrangement between distinct molecular configurations, is a fundamental process in chemistry. Here we demonstrate that two-dimensional Coulomb crystals can emulate molecular isomerization and be used to characterize its physical mechanisms. In our molecular analogue, the confining potential acts as an electronic orbital, which can be tuned continuously and dynamically. We use a planar crystal of six 138Ba+ ions, which exhibits two stable configurations depending on the aspect ratio of the harmonic trapping potential. By changing this aspect ratio, we directly modify the potential energy surface (PES) of the ion crystal, and trigger isomerization in a controlled way. We identify a region of bistability between the two isomers, and use configuration-resolved imaging to detect isomerization in real time. A Monte Carlo simulation is used to calculate the double well PES. By comparing simulated transition rates with experimental population ratios, we estimate the crystal's temperature. Additionally, we prepare metastable configurations by rapidly quenching the PES, and detect isomerization dynamics with sub-millisecond resolution. Our work establishes a new platform for emulating molecular processes, paving the way for studying quantum superpositions of crystal configurations, and for controlling isomeric excitations in two-dimensional Coulomb crystals.