Status: Bibliographieeintrag
Standort: ---
Exemplare:
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| Online-Ressource |
Verfasst von: | Gromov, Evgeniy [VerfasserIn]  |
| Klaiman, Shachar [VerfasserIn]  |
| Cederbaum, Lorenz S. [VerfasserIn]  |
Titel: | Influence of caged noble-gas atom on the superatomic and valence states of C60− |
Verf.angabe: | Evgeniy V. Gromov, Shachar Klaiman and Lorenz S. Cederbaum |
E-Jahr: | 2015 |
Jahr: | 09 Jul 2015 |
Umfang: | 6 S. |
Fussnoten: | Im Titel ist "60" tiefgestellt, das Minuszeichen hochgestellt ; Gesehen am 07.01.2021 |
Titel Quelle: | Enthalten in: Molecular physics |
Ort Quelle: | London : Taylor & Francis, 1958 |
Jahr Quelle: | 2015 |
Band/Heft Quelle: | 113(2015), 19-20, Seite 2964-2969 |
ISSN Quelle: | 1362-3028 |
Abstract: | Using high-level ab initio coupled cluster methods, we have conducted a detailed study of two endofullerene anions, He@C−60 and Ne@C−60. The main focus was on elucidating the effect of the noble-gas atom on the energy and electronic structure of the stable anion states of the parent C−60. Our study revealed that the noble-gas atom has no influence on the valence-like states of C−60, but strongly affects the superatomic-like 2Ag state. The latter was found to undergo pronounced destabilisation in both the He@C−60 and Ne@C−60 species, losing more than 70% of its original electron binding energy. The observed destabilisation is due to perturbation of the excess electron density of the 2Ag state inside the C60 cage by the caged noble-gas atom. We show how the results of our analysis can be used to predict the behaviour of the 2Ag state in other closed-shell endohedral complexes. Some possible implications of the observed features of the 2Ag state are discussed. |
DOI: | doi:10.1080/00268976.2015.1060367 |
URL: | Bitte beachten Sie: Dies ist ein Bibliographieeintrag. Ein Volltextzugriff für Mitglieder der Universität besteht hier nur, falls für die entsprechende Zeitschrift/den entsprechenden Sammelband ein Abonnement besteht oder es sich um einen OpenAccess-Titel handelt.
Volltext: https://doi.org/10.1080/00268976.2015.1060367 |
| DOI: https://doi.org/10.1080/00268976.2015.1060367 |
Datenträger: | Online-Ressource |
Sprache: | eng |
Sach-SW: | anion states |
| coupled cluster methods |
| electron affinity |
| noble-gas C60 endofullerenes |
| superatomic SAMO state |
K10plus-PPN: | 1744167370 |
Verknüpfungen: | → Zeitschrift |
Influence of caged noble-gas atom on the superatomic and valence states of C60− / Gromov, Evgeniy [VerfasserIn]; 09 Jul 2015 (Online-Ressource)
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