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2022-01-18Subject
530 Physics FotoablösungOptische AktivitätPhotoelektronenspektroskopieZirkulardichroismusChiralität <Chemie>Metadata
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Aufsatz
Photoelectron circular dichroism of a model chiral anion
Abstract
Photoelectron circular dichroism (PECD) in the one-photon detachment of a model chiral anionic system is studied theoretically by the single center method. The computed chiral asymmetry, characterized by the dichroic parameter β1 of up to about ±3%, is in good accord with the first experimental observations of the effect in photodetachment of amino acid anions [P. Krüger 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.
Citation
In: The Journal of Chemical Physics Volume 156 / Issue 3 (2022-01-18) eissn:1089-7690Sponsorship
Gefördert im Rahmen eines Open-Access-Transformationsvertrags mit dem VerlagCitation
@article{doi:10.17170/kobra-202307218452,
author={Artemyev, Anton N. and Kutscher, Eric and Demekhin, Philipp V.},
title={Photoelectron circular dichroism of a model chiral anion},
journal={The Journal of Chemical Physics},
year={2022}
}
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2023-07-31T10:29:21Z 2023-07-31T10:29:21Z 2022-01-18 doi:10.17170/kobra-202307218452 http://hdl.handle.net/123456789/14951 Gefördert im Rahmen eines Open-Access-Transformationsvertrags mit dem Verlag eng Namensnennung 4.0 International http://creativecommons.org/licenses/by/4.0/ photodetachment optical activity circular dichroism spectroscopy chirality 530 Photoelectron circular dichroism of a model chiral anion Aufsatz Photoelectron circular dichroism (PECD) in the one-photon detachment of a model chiral anionic system is studied theoretically by the single center method. The computed chiral asymmetry, characterized by the dichroic parameter β1 of up to about ±3%, is in good accord with the first experimental observations of the effect in photodetachment of amino acid anions [P. Krüger 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. open access Artemyev, Anton N. Kutscher, Eric Demekhin, Philipp V. doi:10.1063/5.0079723 Fotoablösung Optische Aktivität Photoelektronenspektroskopie Zirkulardichroismus Chiralität <Chemie> publishedVersion eissn:1089-7690 Issue 3 The Journal of Chemical Physics Volume 156 false 031101
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