Stereochemical configuration and selective excitation of the chiral molecule halothane

TL;DR

This study uses COLTRIMS to analyze the stereochemical configuration and selective excitation of the chiral molecule halothane, revealing detailed enantiomer distinction and fragmentation patterns at the single-molecule level.

Contribution

It demonstrates a novel application of COLTRIMS for enantiomer discrimination and site-selective excitation analysis in chiral molecules.

Findings

Successful differentiation of enantiomers via Coulomb explosion

Identification of site-selective excitation effects

Potential transferability to other molecular species

Abstract

X-ray single-photon ionization and fragmentation of the chiral molecule halothane (CHBrClCF${}_{3}$) from a racemic mixture have been investigated using the COLTRIMS (Cold Target Recoil Ion Momentum Spectroscopy) technique. Two important facets related to the core ionization of this species are examined: Firstly, the distinction of enantiomers (mirror isomers) and the determination of absolute configuration on a single-molecule level by four-body Coulomb explosion; secondly, the interplay of site-selective excitation and fragmentation patterns. These results are easily transferrable to other molecular species and show the wealth of features