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dc.contributor.authorYuan, Xiting
dc.contributor.authorSun, Cunfa
dc.contributor.authorLi, Xihua
dc.contributor.authorMalola, Sami
dc.contributor.authorBoon, K. Teo
dc.contributor.authorHäkkinen, Hannu
dc.contributor.authorZheng, Lan-Sun
dc.contributor.authorZheng, Nanfeng
dc.date.accessioned2019-09-04T10:37:12Z
dc.date.available2019-09-04T10:37:12Z
dc.date.issued2019
dc.identifier.citationYuan, X., Sun, C., Li, X., Malola, S., Boon, K. T., Häkkinen, H., Zheng, L.-S., & Zheng, N. (2019). Combinatorial Identification of Hydrides in a Ligated Ag40 Nanocluster with Non-compact Metal Core. <i>Journal of the American Chemical Society</i>, <i>141</i>(30), 11905-11911. <a href="https://doi.org/10.1021/jacs.9b03009" target="_blank">https://doi.org/10.1021/jacs.9b03009</a>
dc.identifier.otherCONVID_32134792
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/65421
dc.description.abstractNo formation of bulk silver hydride has been reported. Until very recently, only few silver nanoclusters containing hydrides have been successfully prepared. However, due to the lack of effective techniques and also poor stability of hydride-containing Ag nanoclusters, the identification of hydrides’ location within Ag nanoclusters is challenging and not yet achieved although some successes have been reported on clusters of several Ag atoms. In this work, we report a detailed structural and spectroscopic characterization of the [Ag40(DMBT)24(PPh3)8H12]2+ (Ag40H12) cluster (DMBT=2,4-dimethylbenzenethiol). The metal framework consists of three-concentric shells of Ag8@Ag24@Ag8 which can be described as (ν1-cube)@(truncated-ν3-octahedron)@(ν2-cube), respectively. The presence of twelve hydrides in each cluster was systematically identified by various techniques. Based on a detailed analysis of the structural features and 1H and 2H NMR spectra, the positions of the 12 hydrides were determined to be residing on the 12 edges of the cubic core. As a result, the electron count of the Ag40 cluster is a two-electron superatomic system instead of a fourteen-electron system. Moreover, based on our DFT calculations and experimental probes, it was demonstrated that the 12 hydrides play a crucial role in stabilizing both the electronic and geometric structure of the Ag40H12 cluster. The successful synthesis of stable hydride-containing Ag nanoclusters and the identification of hydride positions are expected to simulate research attention on both synthesis and application of hydride-containing Ag nanomaterialsen
dc.format.mimetypeapplication/pdf
dc.languageeng
dc.language.isoeng
dc.publisherAmerican Chemical Society
dc.relation.ispartofseriesJournal of the American Chemical Society
dc.rightsIn Copyright
dc.subject.otherhopea
dc.subject.othermetallit
dc.subject.otherhydridit
dc.subject.othermetallihydridit
dc.subject.othernanoklusterit
dc.subject.othersilver
dc.subject.othermetal hydride
dc.subject.othermetal nanocluster
dc.subject.othercoinage metal
dc.titleCombinatorial Identification of Hydrides in a Ligated Ag40 Nanocluster with Non-compact Metal Core
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201909044024
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosDepartment of Physicsen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.description.reviewstatuspeerReviewed
dc.format.pagerange11905-11911
dc.relation.issn0002-7863
dc.relation.numberinseries30
dc.relation.volume141
dc.type.versionacceptedVersion
dc.rights.copyright© 2019 American Chemical Society
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber319208
dc.relation.grantnumber294217
dc.format.contentfulltext
dc.rights.urlhttp://rightsstatements.org/page/InC/1.0/?language=en
dc.relation.doi10.1021/jacs.9b03009
dc.relation.funderSuomen Akatemiafi
dc.relation.funderSuomen Akatemiafi
dc.relation.funderResearch Council of Finlanden
dc.relation.funderResearch Council of Finlanden
jyx.fundingprogramAkatemiaprofessorin tutkimuskulut, SAfi
jyx.fundingprogramAkatemiaprofessorin tutkimuskulut, SAfi
jyx.fundingprogramResearch costs of Academy Professor, AoFen
jyx.fundingprogramResearch costs of Academy Professor, AoFen
jyx.fundinginformationWe acknowledge the support from the National Key R&D Program of China (2017YFA0207302), the National Natural Science Foundation of China (21890752, 21731005, 21420102001, and 21721001), the fundamental research funds for central universities (20720180026). The work in University of Jyväskylä was supported by the Academy of Finland (HH’s Academy Professorship and grants 294217 and 319208). The computations were made at the CSC computing center in Espoo, Finland. HH acknowledges support from China’s National Innovation and Intelligence Introduction Base visitor program
dc.type.okmA1


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