Show simple item record

dc.contributor.authorAgrachev, Mikhail
dc.contributor.authorAntonello, Sabrina
dc.contributor.authorDainese, Tiziano
dc.contributor.authorGasrcón, José A.
dc.contributor.authorPan, Fangfang
dc.contributor.authorRissanen, Kari
dc.contributor.authorRuzzi, Marco
dc.contributor.authorVenzo, Alfonso
dc.contributor.authorZoleo, Alfonso
dc.contributor.authorMaran, Flavio
dc.date.accessioned2016-11-18T07:09:31Z
dc.date.available2016-11-18T07:09:31Z
dc.date.issued2016
dc.identifier.citationAgrachev, M., Antonello, S., Dainese, T., Gasrcón, J. A., Pan, F., Rissanen, K., Ruzzi, M., Venzo, A., Zoleo, A., & Maran, F. (2016). A magnetic look into the protecting layer of Au25 clusters. <i>Chemical Science</i>, <i>7</i>(12), Article 6910. <a href="https://doi.org/10.1039/c6sc03691k" target="_blank">https://doi.org/10.1039/c6sc03691k</a>
dc.identifier.otherCONVID_26313819
dc.identifier.otherTUTKAID_71712
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/51907
dc.description.abstractThe field of molecular metal clusters protected by organothiolates is experiencing a very rapid growth. So far, however, a clear understanding of the fine interactions between the cluster core and the capping monolayer has remained elusive, despite the importance of the latter in interfacing the former to the surrounding medium. Here, we describe a very sensitive methodology that enables comprehensive assessment of these interactions. Pulse electron nuclear double resonance (ENDOR) was employed to study the interaction of the unpaired electron with the protons of the alkanethiolate ligands in four structurally related paramagnetic Au25(SR)0 18 clusters (R ¼ ethyl, propyl, butyl, 2-methylpropyl). Whereas some of these structures were known, we present the first structural description of the highly symmetric Au25(SPr)0 18 cluster. Through knowledge of the structural data, the ENDOR signals could be successfully related to the types of ligand and the distance of the relevant protons from the central gold core. We found that orbital distribution affects atoms that can be as far as 6 A from the icosahedral core. ˚ Simulations of the spectra provided the values of the hyperfine coupling constants. The resulting information was compared with that provided by 1 H NMR spectroscopy, and molecular dynamics calculations provided useful hints to understanding differences between the ENDOR and NMR results. It is shown that the unpaired electron can be used as a very precise probe of the main structural features of the interface between the metal core and the capping ligands.
dc.language.isoeng
dc.publisherRSC Publications
dc.relation.ispartofseriesChemical Science
dc.subject.othergold clusters
dc.subject.otherAu25
dc.subject.othermolecular metal clusters
dc.titleA magnetic look into the protecting layer of Au25 clusters
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201611154629
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineOrgaaninen kemiafi
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiaineOrganic Chemistryen
dc.contributor.oppiaineNanoscience Centeren
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2016-11-15T13:15:03Z
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.description.reviewstatuspeerReviewed
dc.relation.issn2041-6520
dc.relation.numberinseries12
dc.relation.volume7
dc.type.versionpublishedVersion
dc.rights.copyright© the Authors, 2016. This journal is © The Royal Society of Chemistry 2016. This is an open access article licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.
dc.rights.accesslevelopenAccessfi
dc.subject.ysokemia
jyx.subject.urihttp://www.yso.fi/onto/yso/p1801
dc.rights.urlhttps://creativecommons.org/licenses/by-nc/3.0/
dc.relation.doi10.1039/c6sc03691k
dc.type.okmA1


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record

© the Authors, 2016. This journal is © The Royal Society of Chemistry 2016. This is an open access article licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.
Except where otherwise noted, this item's license is described as © the Authors, 2016. This journal is © The Royal Society of Chemistry 2016. This is an open access article licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.