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dc.contributor.authorSalorinne, Kirsi
dc.contributor.authorMalola, Sami
dc.contributor.authorWong, O. Andrea
dc.contributor.authorRithner, Christopher D.
dc.contributor.authorChen, Xi
dc.contributor.authorAckerson, Christopher J.
dc.contributor.authorHäkkinen, Hannu
dc.date.accessioned2016-06-09T10:05:54Z
dc.date.available2016-06-09T10:05:54Z
dc.date.issued2016
dc.identifier.citationSalorinne, K., Malola, S., Wong, O. A., Rithner, C. D., Chen, X., Ackerson, C. J., & Häkkinen, H. (2016). Conformation and dynamics of the ligand shell of a water-soluble Au102 nanoparticle. <em>Nature Communications</em>, 7, 10401. <a href="http://dx.doi.org/10.1038/ncomms10401">doi:10.1038/ncomms10401</a>
dc.identifier.otherTUTKAID_69085
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/50227
dc.description.abstractInorganic nanoparticles, stabilized by a passivating layer of organic molecules, form a versatile class of nanostructured materials with potential applications in material chemistry, nanoscale physics, nanomedicine and structural biology. While the structure of the nanoparticle core is often known to atomic precision, gaining precise structural and dynamical information on the organic layer poses a major challenge. Here we report a full assignment of 1 H and 13C NMR shifts to all ligands of a water-soluble, atomically precise, 102-atom gold nanoparticle stabilized by 44 para-mercaptobenzoic acid ligands in solution, by using a combination of multidimensional NMR methods, density functional theory calculations and molecular dynamics simulations. Molecular dynamics simulations augment the data by giving information about the ligand disorder and visualization of possible distinct ligand conformations of the most dynamic ligands. The method demonstrated here opens a way to controllable strategies for functionalization of ligated nanoparticles for applications.
dc.language.isoeng
dc.publisherNature Publishing Group
dc.relation.ispartofseriesNature Communications
dc.subject.othergold nanoparticles
dc.subject.otherligands
dc.subject.otherpara-mercaptobenzoic acid
dc.titleConformation and dynamics of the ligand shell of a water-soluble Au102 nanoparticle
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201606092986
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Physicsen
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineFysikaalinen kemia
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2016-06-09T09:15:04Z
dc.type.coarjournal article
dc.description.reviewstatuspeerReviewed
dc.relation.issn2041-1723
dc.relation.volume7
dc.type.versionpublishedVersion
dc.rights.copyright© the Authors, 2016. This is an open access article published by Nature Publishing Group and licensed under a Creative Commons Attribution 4.0 International License.
dc.rights.accesslevelopenAccessfi
dc.rights.urlhttp://creativecommons.org/licenses/by/4.0/
dc.relation.doi10.1038/ncomms10401


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© the Authors, 2016. This is an open access article published by Nature Publishing Group and licensed under a Creative Commons Attribution 4.0 International License.
Except where otherwise noted, this item's license is described as © the Authors, 2016. This is an open access article published by Nature Publishing Group and licensed under a Creative Commons Attribution 4.0 International License.