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dc.contributor.authorLi, Gao
dc.contributor.authorHakkinen, Hannu
dc.contributor.authorQin, Zhaoxian
dc.contributor.authorSharma, Sachil
dc.contributor.authorWan, Chong-qing
dc.contributor.authorXu, Wen-wu
dc.contributor.authorMalola, Sami
dc.date.accessioned2021-02-03T12:39:49Z
dc.date.available2021-02-03T12:39:49Z
dc.date.issued2021
dc.identifier.citationLi, G., Hakkinen, H., Qin, Z., Sharma, S., Wan, C.-Q., Xu, W.-W., & Malola, S. (2021). A Homoleptic Alkynyl‐Ligated [Au13Ag16L24]3‐ Cluster as a Catalytically Active Eight‐Electron Superatom. <i>Angewandte Chemie</i>, <i>60</i>(2), 970-975. <a href="https://doi.org/10.1002/anie.202011780" target="_blank">https://doi.org/10.1002/anie.202011780</a>
dc.identifier.otherCONVID_42321629
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/73963
dc.description.abstractA brand new alkynylated cluster [Au 13 Ag 16 (C 10 H 6 NO) 24 ] 3- is prepared by NaBH 4 mediated reduction method. The AuAg clusters are confirmed by various sophisticated characterization techniques. It manifested the unique metal framework of “Au center @Ag 12 @Au 12 Ag 4 ” is protected by 24 atypical alkyne ligands L (L = C 10 H 6 NO). The ligands were found to construct a unique type of motif L-(Ag)-Au-(Ag)-L at the cluster interface, where, the alkyne (C≡C) group of each L was linked by sharing an Au atom through the σ bonds and each C≡C group was discretely connected to chemically different Ag atom (Ag icosahedral /Ag cap ) through π bonds. The electronic and optical properties of [Au 13 Ag 16 L 24 ] 3- were studied in detail. DFT characterized the cluster as a clear 8-electron superatom, and peaks in the optical absorption spectrum were successfully interpreted in terms of the P and D superatom states. The supported Au 13 Ag 16 L 24 /CeO 2 catalyst exhibited high catalytic activity and selectivity towards the A 3 -coupling reaction involving benzaldehyde, diethylamine and phenylacetylene.en
dc.format.mimetypeapplication/pdf
dc.languageeng
dc.language.isoeng
dc.publisherWiley
dc.relation.ispartofseriesAngewandte Chemie
dc.rightsIn Copyright
dc.subject.othernanoklusterit
dc.subject.otherAuAg alloy cluster
dc.subject.otheralkynyl
dc.subject.otherA3-coupling
dc.subject.otherdensity functional theory
dc.subject.othereight-electron superatom
dc.titleA Homoleptic Alkynyl‐Ligated [Au13Ag16L24]3‐ Cluster as a Catalytically Active Eight‐Electron Superatom
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202102031413
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosDepartment of Physicsen
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiaineNanoscience Centeren
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.description.reviewstatuspeerReviewed
dc.format.pagerange970-975
dc.relation.issn1433-7851
dc.relation.numberinseries2
dc.relation.volume60
dc.type.versionacceptedVersion
dc.rights.copyright© 2021 Wiley
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber319208
dc.relation.grantnumber292352
dc.subject.ysoklusterit
dc.subject.ysooptiset ominaisuudet
dc.subject.ysoelektronit
dc.subject.ysokatalyytit
dc.subject.ysotiheysfunktionaaliteoria
dc.subject.ysokemialliset sidokset
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p18755
jyx.subject.urihttp://www.yso.fi/onto/yso/p25870
jyx.subject.urihttp://www.yso.fi/onto/yso/p4030
jyx.subject.urihttp://www.yso.fi/onto/yso/p15480
jyx.subject.urihttp://www.yso.fi/onto/yso/p28852
jyx.subject.urihttp://www.yso.fi/onto/yso/p10130
dc.rights.urlhttp://rightsstatements.org/page/InC/1.0/?language=en
dc.relation.doi10.1002/anie.202011780
dc.relation.funderResearch Council of Finlanden
dc.relation.funderResearch Council of Finlanden
dc.relation.funderSuomen Akatemiafi
dc.relation.funderSuomen Akatemiafi
jyx.fundingprogramResearch costs of Academy Professor, AoFen
jyx.fundingprogramResearch post as Academy Professor, AoFen
jyx.fundingprogramAkatemiaprofessorin tutkimuskulut, SAfi
jyx.fundingprogramAkatemiaprofessorin tehtävä, SAfi
jyx.fundinginformationWe thank the financial support by Liaoning Natural Science Foundation of China (2020-MS-024), Liaoning Revitalization Talents Program (XLYC1807121), NSF of Beijing Municipality (2172014) and apacity Building for Sci-Tech Innovation-Fundamental Scientific Research Funds. The theoretical work at University of Jyväskylä was supported by the Academy of Finland (grants 292352 and 319208). The computations were made at the Finnish supercomputing center CSC and at the Barcelona Supercomputing Center as part of a PRACE project.
dc.type.okmA1


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