Photoelectron circular dichroism of a model chiral anion
| dc.date.accessioned | 2023-07-31T10:29:21Z | |
| dc.date.available | 2023-07-31T10:29:21Z | |
| dc.date.issued | 2022-01-18 | |
| dc.description.sponsorship | Gefördert im Rahmen eines Open-Access-Transformationsvertrags mit dem Verlag | ger |
| dc.identifier | doi:10.17170/kobra-202307218452 | |
| dc.identifier.uri | http://hdl.handle.net/123456789/14951 | |
| dc.language.iso | eng | |
| dc.relation.doi | doi:10.1063/5.0079723 | |
| dc.rights | Namensnennung 4.0 International | * |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | * |
| dc.subject | photodetachment | eng |
| dc.subject | optical activity | eng |
| dc.subject | circular dichroism spectroscopy | eng |
| dc.subject | chirality | eng |
| dc.subject.ddc | 530 | |
| dc.subject.swd | Fotoablösung | ger |
| dc.subject.swd | Optische Aktivität | ger |
| dc.subject.swd | Photoelektronenspektroskopie | ger |
| dc.subject.swd | Zirkulardichroismus | ger |
| dc.subject.swd | Chiralität <Chemie> | ger |
| dc.title | Photoelectron circular dichroism of a model chiral anion | eng |
| dc.type | Aufsatz | |
| dc.type.version | publishedVersion | |
| dcterms.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. | eng |
| dcterms.accessRights | open access | |
| dcterms.creator | Artemyev, Anton N. | |
| dcterms.creator | Kutscher, Eric | |
| dcterms.creator | Demekhin, Philipp V. | |
| dcterms.source.articlenumber | 031101 | |
| dcterms.source.identifier | eissn:1089-7690 | |
| dcterms.source.issue | Issue 3 | |
| dcterms.source.journal | The Journal of Chemical Physics | eng |
| dcterms.source.volume | Volume 156 | |
| kup.iskup | false |