Stabilizing a three-center single-electron metal–metal bond in a fullerene cage
dc.bibliographicCitation.firstPage | 6890 | eng |
dc.bibliographicCitation.issue | 20 | eng |
dc.bibliographicCitation.journalTitle | Chemical Science | eng |
dc.contributor.author | Jin, Fei | |
dc.contributor.author | Xin, Jinpeng | |
dc.contributor.author | Guan, Runnan | |
dc.contributor.author | Xie, Xiao-Ming | |
dc.contributor.author | Chen, Muqing | |
dc.contributor.author | Zhang, Qianyan | |
dc.contributor.author | Popov, Alexey A. | |
dc.contributor.author | Xie, Su-Yuan | |
dc.contributor.author | Yang, Shangfeng | |
dc.date.accessioned | 2021-07-30T07:36:32Z | |
dc.date.available | 2021-07-30T07:36:32Z | |
dc.date.issued | 2021 | |
dc.description.abstract | Trimetallic carbide clusterfullerenes (TCCFs) encapsulating a quinary M3C2 cluster represent a special family of endohedral fullerenes with an open-shell electronic configuration. Herein, a novel TCCF based on a medium-sized rare earth metal, dysprosium (Dy), is synthesized for the first time. The molecular structure of Dy3C2@Ih(7)-C80 determined by single crystal X-ray diffraction shows that the encapsulated Dy3C2 cluster adopts a bat ray configuration, in which the acetylide unit C2 is elevated above the Dy3 plane by ∼1.66 Å, while Dy–Dy distances are ∼3.4 Å. DFT computational analysis of the electronic structure reveals that the endohedral cluster has an unusual formal charge distribution of (Dy3)8+(C2)2−@C806− and features an unprecedented three-center single-electron Dy–Dy–Dy bond, which has never been reported for lanthanide compounds. Moreover, this electronic structure is different from that of the analogous Sc3C2@Ih(7)-C80 with a (Sc3)9+(C2)3−@C806− charge distribution and no metal–metal bonding. | eng |
dc.description.version | publishedVersion | eng |
dc.identifier.uri | https://oa.tib.eu/renate/handle/123456789/6453 | |
dc.identifier.uri | https://doi.org/10.34657/5500 | |
dc.language.iso | eng | eng |
dc.publisher | Cambridge : RSC | eng |
dc.relation.doi | https://doi.org/10.1039/D1SC00965F | |
dc.relation.essn | 2041-6539 | |
dc.rights.license | CC BY-NC 3.0 Unported | eng |
dc.rights.uri | https://creativecommons.org/licenses/by-nc/3.0/ | eng |
dc.subject.ddc | 540 | eng |
dc.subject.other | Binary alloys | eng |
dc.subject.other | Carbides | eng |
dc.subject.other | Charge distribution | eng |
dc.subject.other | Chemical bonds | eng |
dc.subject.other | Crystal structure | eng |
dc.subject.other | Electronic structure | eng |
dc.subject.other | Rare earth elements | eng |
dc.subject.other | Rare earths | eng |
dc.subject.other | Single crystals | eng |
dc.subject.other | Ternary alloys | eng |
dc.title | Stabilizing a three-center single-electron metal–metal bond in a fullerene cage | eng |
dc.type | Article | eng |
dc.type | Text | eng |
tib.accessRights | openAccess | eng |
wgl.contributor | IFWD | eng |
wgl.subject | Chemie | eng |
wgl.type | Zeitschriftenartikel | eng |
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