Bound states and symmetry breaking of the ring C-20(-) anion
Determining the geometry of carbon rings is an ongoing challenge. Based on our calculations at a state-of-the-art level, we found that the C-20(-) ring possesses five bound electronic states, including a superatomic state, which is the first superatomic state found for a ring. The nature of these el...
Gespeichert in:
| Hauptverfasser: | , |
|---|---|
| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
25 June 2020
|
| In: |
The journal of chemical physics
Year: 2020, Jahrgang: 152, Heft: 24 |
| ISSN: | 1089-7690 |
| DOI: | 10.1063/5.0012926 |
| Online-Zugang: | Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1063/5.0012926
|
| Verfasserangaben: | Yi-Fan Yang, and Lorenz S. Cederbaum |
MARC
| LEADER | 00000caa a2200000 c 4500 | ||
|---|---|---|---|
| 001 | 1725491699 | ||
| 003 | DE-627 | ||
| 005 | 20230426183746.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 200724s2020 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1063/5.0012926 |2 doi | |
| 035 | |a (DE-627)1725491699 | ||
| 035 | |a (DE-599)KXP1725491699 | ||
| 035 | |a (OCoLC)1341347811 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rda | ||
| 041 | |a eng | ||
| 084 | |a 29 |2 sdnb | ||
| 100 | 1 | |a Yang, Yi-Fan |e VerfasserIn |0 (DE-588)1212889894 |0 (DE-627)1702959910 |4 aut | |
| 245 | 1 | 0 | |a Bound states and symmetry breaking of the ring C-20(-) anion |c Yi-Fan Yang, and Lorenz S. Cederbaum |
| 264 | 1 | |c 25 June 2020 | |
| 300 | |a 8 | ||
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a Computermedien |b c |2 rdamedia | ||
| 338 | |a Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Gesehen am 24.07.2020 | ||
| 500 | |a Im Titel erscheint die Zahl 20 tiefgestellt und das Minus-Zeichen hochgestellt | ||
| 520 | |a Determining the geometry of carbon rings is an ongoing challenge. Based on our calculations at a state-of-the-art level, we found that the C-20(-) ring possesses five bound electronic states, including a superatomic state, which is the first superatomic state found for a ring. The nature of these electronic states is discussed. Our calculation reveals a symmetry breaking of the C-20(-) ring anion ground electronic structure occurring upon attaching an electron to the neutral ring. The discussion of the possible symmetry breaking mechanisms indicates that the shrinking and distortion of the ring upon electron attachment, leading to the symmetry breaking, is a result of the interplay between the symmetry breaking and the totally symmetric modes. The discussion enriches the palette of possible symmetry breaking phenomena in carbon clusters. | ||
| 650 | 4 | |a basis-sets | |
| 650 | 4 | |a carbon cluster anions | |
| 650 | 4 | |a electronic-properties | |
| 650 | 4 | |a isomers | |
| 650 | 4 | |a smallest fullerene | |
| 650 | 4 | |a spectroscopy | |
| 650 | 4 | |a spectrum | |
| 700 | 1 | |a Cederbaum, Lorenz S. |d 1946- |e VerfasserIn |0 (DE-588)172484952 |0 (DE-627)697422798 |0 (DE-576)133346145 |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t The journal of chemical physics |d Melville, NY : American Institute of Physics, 1933 |g 152(2020,24) Artikel-Nummer 244307, 8 Seiten |h Online-Ressource |w (DE-627)268760675 |w (DE-600)1473050-9 |w (DE-576)077610261 |x 1089-7690 |7 nnas |a Bound states and symmetry breaking of the ring C-20(-) anion |
| 773 | 1 | 8 | |g volume:152 |g year:2020 |g number:24 |g extent:8 |a Bound states and symmetry breaking of the ring C-20(-) anion |
| 856 | 4 | 0 | |u https://doi.org/10.1063/5.0012926 |x Verlag |x Resolving-System |z lizenzpflichtig |3 Volltext |
| 951 | |a AR | ||
| 992 | |a 20200724 | ||
| 993 | |a Article | ||
| 994 | |a 2020 | ||
| 998 | |g 172484952 |a Cederbaum, Lorenz S. |m 172484952:Cederbaum, Lorenz S. |d 120000 |d 120300 |d 120000 |e 120000PC172484952 |e 120300PC172484952 |e 120000PC172484952 |k 0/120000/ |k 1/120000/120300/ |k 0/120000/ |p 2 |y j | ||
| 998 | |g 1212889894 |a Yang, Yi-Fan |m 1212889894:Yang, Yi-Fan |d 120000 |d 120300 |e 120000PY1212889894 |e 120300PY1212889894 |k 0/120000/ |k 1/120000/120300/ |p 1 |x j | ||
| 999 | |a KXP-PPN1725491699 |e 3729146041 | ||
| BIB | |a Y | ||
| SER | |a journal | ||
| JSO | |a {"type":{"media":"Online-Ressource","bibl":"article-journal"},"language":["eng"],"name":{"displayForm":["Yi-Fan Yang, and Lorenz S. Cederbaum"]},"id":{"doi":["10.1063/5.0012926"],"eki":["1725491699"]},"physDesc":[{"extent":"8 S."}],"person":[{"family":"Yang","role":"aut","given":"Yi-Fan","display":"Yang, Yi-Fan"},{"role":"aut","given":"Lorenz S.","display":"Cederbaum, Lorenz S.","family":"Cederbaum"}],"title":[{"title":"Bound states and symmetry breaking of the ring C-20(-) anion","title_sort":"Bound states and symmetry breaking of the ring C-20(-) anion"}],"origin":[{"dateIssuedKey":"2020","dateIssuedDisp":"25 June 2020"}],"note":["Gesehen am 24.07.2020","Im Titel erscheint die Zahl 20 tiefgestellt und das Minus-Zeichen hochgestellt"],"relHost":[{"pubHistory":["1.1933 -"],"note":["Gesehen am 16.06.2023"],"origin":[{"publisherPlace":"Melville, NY","dateIssuedKey":"1933","publisher":"American Institute of Physics","dateIssuedDisp":"1933-"}],"recId":"268760675","name":{"displayForm":["American Institute of Physics"]},"language":["eng"],"id":{"zdb":["1473050-9"],"eki":["268760675"],"issn":["1089-7690"]},"type":{"media":"Online-Ressource","bibl":"periodical"},"disp":"Bound states and symmetry breaking of the ring C-20(-) anionThe journal of chemical physics","physDesc":[{"extent":"Online-Ressource"}],"part":{"year":"2020","text":"152(2020,24) Artikel-Nummer 244307, 8 Seiten","extent":"8","volume":"152","issue":"24"},"title":[{"subtitle":"bridges a gap between journals of physics and journals of chemistry","title":"The journal of chemical physics","title_sort":"journal of chemical physics"}]}],"recId":"1725491699"} | ||
| SRT | |a YANGYIFANCBOUNDSTATE2520 | ||