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D6h-Au42 Isomer: A Golden Aromatic Toroid Involving Superatomic π-Orbitals that Follow the Hückel (4n+2)π rule

dc.contributor.authorMuñoz-Castro A.
dc.date.accessioned2020-09-02T22:24:07Z
dc.date.available2020-09-02T22:24:07Z
dc.date.issued2016
dc.identifier10.1002/cphc.201600864
dc.identifier.citation17, 20, 3204-3208
dc.identifier.issn14394235
dc.identifier.urihttps://hdl.handle.net/20.500.12728/5505
dc.descriptionRecently, it has been shown that the superatom concept is intimately connected to relevant tools of great chemical significance, such as the Lewis structure model and the VSEPR theory, which has been employed to understand hybridized and dimeric-like molecules. This suggests a potential rational construction of superatomic clusters mimicking more complex structures. Here, we extend another well-employed concept to the superatomic clusters, to construct a novel Au42 isomer with resemblance to cyclic aromatic molecules. It is shown that the Hückel (4n+2)π rule is ready to be applied, predicting aromatic behavior latterly supported by the favorable evaluation of the induced shielding cone formation. The D6h isomer of Au42 described here exhibits inherent characteristics mimicking aromatic hydrocarbon rings, displaying π-superatomic orbitals and related properties. This new cluster is the first member of the superatomic clusters family to exhibit an aromatic π-electron system. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
dc.language.isoen
dc.publisherWiley-VCH Verlag
dc.subjectaromaticity
dc.subjectgold
dc.subjectHückel rule
dc.subjectpi-orbitals
dc.subjectsuperatoms
dc.titleD6h-Au42 Isomer: A Golden Aromatic Toroid Involving Superatomic π-Orbitals that Follow the Hückel (4n+2)π rule
dc.typeArticle


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