Characterization of the photoelectron circular dichroism of fixed-in-space molecules through an asymmetry of the ionic potential

Photoelectron circular dichroism (PECD) in the ionization of chiral molecules by circularly polarized radiation is a well-established tool for chiral recognition in the gas phase. The effect consists in a forward-backward asymmetry in angular emission distributions of photoelectrons with respect to...

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Main Authors: Eric Kutscher, Anton N. Artemyev, Philipp V. Demekhin
Format: Article
Language:English
Published: AIP Publishing LLC and ACA 2025-03-01
Series:Structural Dynamics
Online Access:http://dx.doi.org/10.1063/4.0000300
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author Eric Kutscher
Anton N. Artemyev
Philipp V. Demekhin
author_facet Eric Kutscher
Anton N. Artemyev
Philipp V. Demekhin
author_sort Eric Kutscher
collection DOAJ
description Photoelectron circular dichroism (PECD) in the ionization of chiral molecules by circularly polarized radiation is a well-established tool for chiral recognition in the gas phase. The effect consists in a forward-backward asymmetry in angular emission distributions of photoelectrons with respect to the light propagation direction, which survives averaging over molecular orientations. Its magnitude is governed by the ability of the outgoing photoelectron to probe an asymmetry of the ionic potential by multiple scattering effects, and it can be significantly enhanced by fixing molecular orientation in space. Even achiral fixed-in-space molecules can exhibit such a forward-backward asymmetry in the photoemission. In the present work, we establish a qualitative correspondence between the PECD in one-photon ionization of fixed-in-space molecules and a degree of the asymmetry of their ionic potential. For this purpose, we introduce an enantiosensitive dichroic characteristic of the ionic potential, which describes a physical mechanism behind the forward-backward asymmetry in the photoemission from fixed-in-space molecules ionized by circularly polarized light. This characteristic, as a function of molecular orientation angles, can be compared to the respective PECD landscape. The present findings are exemplified by several applications to achiral and chiral species.
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spelling doaj-art-cf2c595fc28d4876bab9ab7997aedc8f2025-08-20T02:11:09ZengAIP Publishing LLC and ACAStructural Dynamics2329-77782025-03-01122024102024102-910.1063/4.0000300Characterization of the photoelectron circular dichroism of fixed-in-space molecules through an asymmetry of the ionic potentialEric Kutscher0Anton N. Artemyev1Philipp V. Demekhin2Institut für Physik und CINSaT, Universität Kassel, Heinrich-Plett-Str. 40, 34132 Kassel, GermanyInstitut für Physik und CINSaT, Universität Kassel, Heinrich-Plett-Str. 40, 34132 Kassel, GermanyInstitut für Physik und CINSaT, Universität Kassel, Heinrich-Plett-Str. 40, 34132 Kassel, GermanyPhotoelectron circular dichroism (PECD) in the ionization of chiral molecules by circularly polarized radiation is a well-established tool for chiral recognition in the gas phase. The effect consists in a forward-backward asymmetry in angular emission distributions of photoelectrons with respect to the light propagation direction, which survives averaging over molecular orientations. Its magnitude is governed by the ability of the outgoing photoelectron to probe an asymmetry of the ionic potential by multiple scattering effects, and it can be significantly enhanced by fixing molecular orientation in space. Even achiral fixed-in-space molecules can exhibit such a forward-backward asymmetry in the photoemission. In the present work, we establish a qualitative correspondence between the PECD in one-photon ionization of fixed-in-space molecules and a degree of the asymmetry of their ionic potential. For this purpose, we introduce an enantiosensitive dichroic characteristic of the ionic potential, which describes a physical mechanism behind the forward-backward asymmetry in the photoemission from fixed-in-space molecules ionized by circularly polarized light. This characteristic, as a function of molecular orientation angles, can be compared to the respective PECD landscape. The present findings are exemplified by several applications to achiral and chiral species.http://dx.doi.org/10.1063/4.0000300
spellingShingle Eric Kutscher
Anton N. Artemyev
Philipp V. Demekhin
Characterization of the photoelectron circular dichroism of fixed-in-space molecules through an asymmetry of the ionic potential
Structural Dynamics
title Characterization of the photoelectron circular dichroism of fixed-in-space molecules through an asymmetry of the ionic potential
title_full Characterization of the photoelectron circular dichroism of fixed-in-space molecules through an asymmetry of the ionic potential
title_fullStr Characterization of the photoelectron circular dichroism of fixed-in-space molecules through an asymmetry of the ionic potential
title_full_unstemmed Characterization of the photoelectron circular dichroism of fixed-in-space molecules through an asymmetry of the ionic potential
title_short Characterization of the photoelectron circular dichroism of fixed-in-space molecules through an asymmetry of the ionic potential
title_sort characterization of the photoelectron circular dichroism of fixed in space molecules through an asymmetry of the ionic potential
url http://dx.doi.org/10.1063/4.0000300
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AT antonnartemyev characterizationofthephotoelectroncirculardichroismoffixedinspacemoleculesthroughanasymmetryoftheionicpotential
AT philippvdemekhin characterizationofthephotoelectroncirculardichroismoffixedinspacemoleculesthroughanasymmetryoftheionicpotential