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dc.contributor.authorHyeon, Taeghwan
dc.contributor.authorBootharaju, Megalamane S.
dc.contributor.authorLee, Sanghwa
dc.contributor.authorDeng, Guocheng
dc.contributor.authorMalola, Sami
dc.contributor.authorBaek, Woonhyuk
dc.contributor.authorHäkkinen, Hannu
dc.contributor.authorZheng, Nanfeng
dc.date.accessioned2021-02-01T12:53:25Z
dc.date.available2021-02-01T12:53:25Z
dc.date.issued2021
dc.identifier.citationHyeon, T., Bootharaju, M. S., Lee, S., Deng, G., Malola, S., Baek, W., Häkkinen, H., & Zheng, N. (2021). Ag44(EBT)26(TPP)4 Nanoclusters with Tailored Molecular and Electronic Structure. <i>Angewandte Chemie</i>, <i>60</i>(16), 9038-9044. <a href="https://doi.org/10.1002/anie.202015907" target="_blank">https://doi.org/10.1002/anie.202015907</a>
dc.identifier.otherCONVID_47665397
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/73918
dc.description.abstractAlthough atomically precise metalloid nanoclusters (NCs) of identical size with distinctly different molecular structures are highly desirable to understand the structural effects on the intriguing optical and photophysical properties, their synthesis remains highly challenging. Herein, we employed phosphine and thiol capping ligands featuring appropriate steric effects and synthesized a charge‐neutral Ag NC with the formula, Ag 44 (EBT) 26 (TPP) 4 (EBT: 2‐ethylbenzenethiolate; TPP: triphenylphosphine). The single‐crystal X‐ray structure reveals that this NC has a hollow metal core of Ag 12 @Ag 20 and a metal‐ligand shell of Ag 12 (EBT) 26 (TPP) 4 . The presence of mixed ligands and long V‐shaped metal‐ligand motifs on this NC has resulted in the enhancement of NIR‐II photoluminescence quantum yield by >25‐folds compared to an all‐thiolate‐stabilized anionic [Ag 44 (SR) 30 ] 4― NC (SR: thiolate). Time‐dependent density functional calculations show that our Ag 44 NC is an 18‐electron superatom with a modulated electronic structure as compared to the [Ag 44 (SR) 30 ] 4― anion, significantly influencing its optical properties.en
dc.format.mimetypeapplication/pdf
dc.languageeng
dc.language.isoeng
dc.publisherWiley-VCH Verlag
dc.relation.ispartofseriesAngewandte Chemie
dc.rightsIn Copyright
dc.subject.othersilver
dc.subject.othernanoclusters
dc.subject.othersingle crystal X-ray structure
dc.subject.otherNIR-II photoluminescence
dc.subject.othersuperatom
dc.titleAg44(EBT)26(TPP)4 Nanoclusters with Tailored Molecular and Electronic Structure
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202102011374
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.pagerange9038-9044
dc.relation.issn1433-7851
dc.relation.numberinseries16
dc.relation.volume60
dc.type.versionacceptedVersion
dc.rights.copyright© 2020 Wiley
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber319208
dc.relation.grantnumber294217
dc.relation.grantnumber292352
dc.subject.ysonanohiukkaset
dc.subject.ysohopea
dc.subject.ysoklusterit
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p23451
jyx.subject.urihttp://www.yso.fi/onto/yso/p7409
jyx.subject.urihttp://www.yso.fi/onto/yso/p18755
dc.rights.urlhttp://rightsstatements.org/page/InC/1.0/?language=en
dc.relation.doi10.1002/anie.202015907
dc.relation.funderSuomen Akatemiafi
dc.relation.funderSuomen Akatemiafi
dc.relation.funderSuomen Akatemiafi
dc.relation.funderAcademy of Finlanden
dc.relation.funderAcademy of Finlanden
dc.relation.funderAcademy of Finlanden
jyx.fundingprogramAkatemiaprofessorin tutkimuskulut, SAfi
jyx.fundingprogramAkatemiaprofessorin tutkimuskulut, SAfi
jyx.fundingprogramAkatemiaprofessorin tehtävä, SAfi
jyx.fundingprogramResearch costs of Academy Professor, AoFen
jyx.fundingprogramResearch costs of Academy Professor, AoFen
jyx.fundingprogramResearch post as Academy Professor, AoFen
jyx.fundinginformationT.H. acknowledges the financial support by the Research Center Program of the IBS (IBS-R006-D1) in Korea. The computational work at University of Jyväskylä was supported by the Academy of Finland (grants 292352, 294217, and 319208). N.F.Z. thanks the National Key R&D Program of China (2017YFA0207304) and the NSF of China (21890752, 21731005, 21721001) for financial support.


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