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dc.contributor.authorShen, Hui
dc.contributor.authorDeng, Guocheng
dc.contributor.authorKaappa, Sami
dc.contributor.authorTan, Tongde
dc.contributor.authorHan, Ying-Zi
dc.contributor.authorMalola, Sami
dc.contributor.authorLin, Shui-Chao
dc.contributor.authorTeo, Boon K.
dc.contributor.authorHäkkinen, Hannu
dc.contributor.authorZheng, Nanfeng
dc.date.accessioned2020-01-08T12:43:32Z
dc.date.available2020-01-08T12:43:32Z
dc.date.issued2019
dc.identifier.citationShen, H., Deng, G., Kaappa, S., Tan, T., Han, Y.-Z., Malola, S., Lin, S.-C., Teo, B. K., Häkkinen, H., & Zheng, N. (2019). Highly Robust but Surface-Active : An N-Heterocyclic Carbene-Stabilized Au25 Nanocluster. <i>Angewandte Chemie</i>, <i>58</i>(49), 17731-17735. <a href="https://doi.org/10.1002/anie.201908983" target="_blank">https://doi.org/10.1002/anie.201908983</a>
dc.identifier.otherCONVID_33633042
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/67174
dc.description.abstractSurface organic ligands play a critical role in stabilizing atomically precise metal nanoclusters in solutions. However, it is still challenging to prepare highly robust ligated metal nanoclusters that are surface-active for liquid-phase catalysis without any pre-treatment. Now, an N-heterocyclic carbene-stabilized Au25 nanocluster with high thermal and air stabilities is presented as a homogenous catalyst for cycloisomerization of alkynyl amines to indoles. The nanocluster, characterized as [Au25(iPr2-bimy)10Br7]2+ (iPr2-bimy=1,3-diisopropylbenzimidazolin-2-ylidene) (1), was synthesized by direct reduction of AuSMe2Cl and iPr2-bimyAuBr with NaBH4 in one pot. X-ray crystallization analysis revealed that the cluster comprises two centered Au13 icosahedra sharing a vertex. Cluster 1 is highly stable and can survive in solution at 80 °C for 12 h, which is superior to Au25 nanoclusters passivated with phosphines or thiols. DFT computations reveal the origins of both electronic and thermal stability of 1 and point to the probable catalytic sites. This work provides new insights into the bonding capability of N-heterocyclic carbene to Au in a cluster, and offers an opportunity to probe the catalytic mechanism at the atomic level.en
dc.format.mimetypeapplication/pdf
dc.languageeng
dc.language.isoeng
dc.publisherWiley-VCH Verlag
dc.relation.ispartofseriesAngewandte Chemie
dc.rightsIn Copyright
dc.subject.otherAu25
dc.subject.othercarbene ligands
dc.subject.othergold catalysis
dc.subject.othergold nanoclusters
dc.subject.otherhomogeneous catalysis
dc.titleHighly Robust but Surface-Active : An N-Heterocyclic Carbene-Stabilized Au25 Nanocluster
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202001081101
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Physicsen
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiaineNanoscience Centeren
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.description.reviewstatuspeerReviewed
dc.format.pagerange17731-17735
dc.relation.issn1433-7851
dc.relation.numberinseries49
dc.relation.volume58
dc.type.versionacceptedVersion
dc.rights.copyright© 2019 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim
dc.rights.accesslevelopenAccessfi
dc.subject.ysonanohiukkaset
dc.subject.ysokatalyysi
dc.subject.ysokulta
dc.subject.ysokatalyytit
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p23451
jyx.subject.urihttp://www.yso.fi/onto/yso/p8704
jyx.subject.urihttp://www.yso.fi/onto/yso/p19016
jyx.subject.urihttp://www.yso.fi/onto/yso/p15480
dc.rights.urlhttp://rightsstatements.org/page/InC/1.0/?language=en
dc.relation.doi10.1002/anie.201908983
jyx.fundinginformationWe thank the National Key R&D Program of China (2017YFA0207304), the NSF of China (21890752, 21731005, 21420102001, 21721001), and the fundamental research funds for central universities (20720190043) for financial support. The computational work in the University of Jyväskylä was supported by the Academy of Finland through H.H.’s Academy Professorship. H.H. acknowledges support from China's National Innovation and Intelligence Introduction Base visitor program. S.K. thanks the Väisälä Foundation for a personal PhD study grant. The computations were made at the CSC supercomputing center in Finland.


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