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Article: Defective Nanographenes Containing Seven-Five-Seven (7–5–7)-Membered Rings

TitleDefective Nanographenes Containing Seven-Five-Seven (7–5–7)-Membered Rings
Authors
Issue Date2021
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/jacsat/index.html
Citation
Journal of the American Chemical Society, 2021, v. 143 n. 5, p. 2353-2360 How to Cite?
AbstractDefects have been observed in graphene and are expected to play a key role in its optical, electronic, and magnetic properties. However, because most of the studies focused on the structural characterization, the implications of topological defects on the physicochemical properties of graphene remain poorly understood. Here, we demonstrate a bottom-up synthesis of three novel nanographenes (1–3) with well-defined defects in which seven-five-seven (7–5–7)-membered rings were introduced to their sp2 carbon frameworks. From the X-ray crystallographic analysis, compound 1 adopts a nearly planar structure. Compound 2, with an additional five-membered ring compared to 1, possesses a slightly saddle-shaped geometry. Compound 3, which can be regarded as the “head-to-head” fusion of 1 with two bonds, features two saddles connected together. The resultant defective nanographenes 1–3 were well-investigated by UV–vis absorption, cyclic voltammetry, and time-resolved absorption spectra and further corroborated by density functional theory (DFT) calculations. Detailed experimental and theoretical investigations elucidate that these three nanographenes 1–3 exhibit an anti-aromatic character in their ground states and display a high stability under ambient conditions, which contrast with the reported unstable biradicaloid nanographenes that contain heptagons. Our work reported herein offers insights into the understanding of structure-related properties and enables the control of the electronic structures of expanded nanographenes with atomically precise defects.
Persistent Identifierhttp://hdl.handle.net/10722/300914
ISSN
2023 Impact Factor: 14.4
2023 SCImago Journal Rankings: 5.489
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorFEI, Y-
dc.contributor.authorFu, Y-
dc.contributor.authorBAI, X-
dc.contributor.authorDu, L-
dc.contributor.authorLi, Z-
dc.contributor.authorKomber, H-
dc.contributor.authorLow, KH-
dc.contributor.authorZhou, S-
dc.contributor.authorPhillips, DL-
dc.contributor.authorFeng, X-
dc.contributor.authorLiu, J-
dc.date.accessioned2021-07-06T03:11:58Z-
dc.date.available2021-07-06T03:11:58Z-
dc.date.issued2021-
dc.identifier.citationJournal of the American Chemical Society, 2021, v. 143 n. 5, p. 2353-2360-
dc.identifier.issn0002-7863-
dc.identifier.urihttp://hdl.handle.net/10722/300914-
dc.description.abstractDefects have been observed in graphene and are expected to play a key role in its optical, electronic, and magnetic properties. However, because most of the studies focused on the structural characterization, the implications of topological defects on the physicochemical properties of graphene remain poorly understood. Here, we demonstrate a bottom-up synthesis of three novel nanographenes (1–3) with well-defined defects in which seven-five-seven (7–5–7)-membered rings were introduced to their sp2 carbon frameworks. From the X-ray crystallographic analysis, compound 1 adopts a nearly planar structure. Compound 2, with an additional five-membered ring compared to 1, possesses a slightly saddle-shaped geometry. Compound 3, which can be regarded as the “head-to-head” fusion of 1 with two bonds, features two saddles connected together. The resultant defective nanographenes 1–3 were well-investigated by UV–vis absorption, cyclic voltammetry, and time-resolved absorption spectra and further corroborated by density functional theory (DFT) calculations. Detailed experimental and theoretical investigations elucidate that these three nanographenes 1–3 exhibit an anti-aromatic character in their ground states and display a high stability under ambient conditions, which contrast with the reported unstable biradicaloid nanographenes that contain heptagons. Our work reported herein offers insights into the understanding of structure-related properties and enables the control of the electronic structures of expanded nanographenes with atomically precise defects.-
dc.languageeng-
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/jacsat/index.html-
dc.relation.ispartofJournal of the American Chemical Society-
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in [JournalTitle], copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [insert ACS Articles on Request author-directed link to Published Work, see http://pubs.acs.org/page/policy/articlesonrequest/index.html].-
dc.titleDefective Nanographenes Containing Seven-Five-Seven (7–5–7)-Membered Rings-
dc.typeArticle-
dc.identifier.emailDu, L: ailleen@hku.hk-
dc.identifier.emailLow, KH: khlow@hku.hk-
dc.identifier.emailPhillips, DL: phillips@hku.hk-
dc.identifier.emailLiu, J: juliu@hku.hk-
dc.identifier.authorityPhillips, DL=rp00770-
dc.identifier.authorityLiu, J=rp02584-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1021/jacs.0c12116-
dc.identifier.pmid33502182-
dc.identifier.scopuseid_2-s2.0-85100626409-
dc.identifier.hkuros323187-
dc.identifier.volume143-
dc.identifier.issue5-
dc.identifier.spage2353-
dc.identifier.epage2360-
dc.identifier.isiWOS:000619637300025-
dc.publisher.placeUnited States-

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