Photoelectron Circular Dichroism of a Model Anionic System

TL;DR

This study theoretically investigates photoelectron circular dichroism in a chiral anionic system, revealing a small but significant asymmetry consistent with recent experiments, and confirms that PECD magnitude depends on the outgoing electron wave's interaction with the molecular potential.

Contribution

It provides the first theoretical analysis of PECD in a methane-like chiral anionic system using the single center method, aligning with recent experimental findings.

Findings

Computed PECD asymmetry up to ±3%

Qualitative agreement with recent experimental data

PECD magnitude linked to electron wave interaction with molecular potential

Abstract

Photoelectron circular dichroism in the one-photon detachment of a model methane-like chiral anionic system is studied theoretically by the single center method. The computed chiral asymmetry, characterized by the dichroic parameter $\beta_1$ of up to about $\pm3\%$, is in a qualitative agreement with very recent experimental observations on photodetachment in amino acid anions [P. Kr\"uger and K.-M. Weitzel, Angew. Chem. Int. Ed. 60, 17861 (2021)]. Our findings confirm a general assumption that the magnitude of PECD is governed by the ability of an outgoing photoelectron wave packet to accumulate characteristic chiral asymmetry from the short-range part of the molecular potential.