On the Structure of Thiolate-Protected Au25
Density functional theory is used to explore the structure of Au25(RS)18. The preferred structure consists of an icosahedral Au13 core protected by 6 RS−Au−RS−Au−RS units. The enhanced stability of the structure as an anion is found to originate from closure of an eight-electron shell for delocalize...
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| Veröffentlicht in: | Journal of the American Chemical Society 2008-03, Vol.130 (12), p.3756-3757 |
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| container_issue | 12 |
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| container_title | Journal of the American Chemical Society |
| container_volume | 130 |
| creator | Akola, Jaakko Walter, Michael Whetten, Robert L Häkkinen, Hannu Grönbeck, Henrik |
| description | Density functional theory is used to explore the structure of Au25(RS)18. The preferred structure consists of an icosahedral Au13 core protected by 6 RS−Au−RS−Au−RS units. The enhanced stability of the structure as an anion is found to originate from closure of an eight-electron shell for delocalized Au(6s) electrons. The evaluated XRD pattern and optical spectra are in good agreement with experimental data. |
| doi_str_mv | 10.1021/ja800594p |
| format | Article |
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The preferred structure consists of an icosahedral Au13 core protected by 6 RS−Au−RS−Au−RS units. The enhanced stability of the structure as an anion is found to originate from closure of an eight-electron shell for delocalized Au(6s) electrons. The evaluated XRD pattern and optical spectra are in good agreement with experimental data.</description><identifier>ISSN: 0002-7863</identifier><identifier>EISSN: 1520-5126</identifier><identifier>DOI: 10.1021/ja800594p</identifier><identifier>PMID: 18321117</identifier><language>eng</language><publisher>United States: American Chemical Society</publisher><subject>Crystallography, X-Ray ; Ligands ; Models, Chemical ; Models, Molecular ; Molecular Structure ; Nanoparticles - chemistry ; Organogold Compounds - chemistry ; Sulfhydryl Compounds - chemistry</subject><ispartof>Journal of the American Chemical Society, 2008-03, Vol.130 (12), p.3756-3757</ispartof><rights>Copyright © 2008 American Chemical Society</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://pubs.acs.org/doi/pdf/10.1021/ja800594p$$EPDF$$P50$$Gacs$$H</linktopdf><linktohtml>$$Uhttps://pubs.acs.org/doi/10.1021/ja800594p$$EHTML$$P50$$Gacs$$H</linktohtml><link.rule.ids>314,776,780,27055,27903,27904,56716,56766</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/18321117$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Akola, Jaakko</creatorcontrib><creatorcontrib>Walter, Michael</creatorcontrib><creatorcontrib>Whetten, Robert L</creatorcontrib><creatorcontrib>Häkkinen, Hannu</creatorcontrib><creatorcontrib>Grönbeck, Henrik</creatorcontrib><title>On the Structure of Thiolate-Protected Au25</title><title>Journal of the American Chemical Society</title><addtitle>J. Am. Chem. Soc</addtitle><description>Density functional theory is used to explore the structure of Au25(RS)18. The preferred structure consists of an icosahedral Au13 core protected by 6 RS−Au−RS−Au−RS units. The enhanced stability of the structure as an anion is found to originate from closure of an eight-electron shell for delocalized Au(6s) electrons. The evaluated XRD pattern and optical spectra are in good agreement with experimental data.</description><subject>Crystallography, X-Ray</subject><subject>Ligands</subject><subject>Models, Chemical</subject><subject>Models, Molecular</subject><subject>Molecular Structure</subject><subject>Nanoparticles - chemistry</subject><subject>Organogold Compounds - chemistry</subject><subject>Sulfhydryl Compounds - chemistry</subject><issn>0002-7863</issn><issn>1520-5126</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2008</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNo9kE9PwkAQxTdGI4ge_AKmF72Y6v7r7vRIQMUEAwl48bLZttNQLBR3t4l-e2tATpOZ-eXlvUfINaMPjHL2uLZAaZLK3Qnps4TTOGFcnZI-pZTHGpTokQvv190qObBz0mMgOGNM98n9bBuFFUaL4No8tA6jpoyWq6qpbcB47pqAecAiGrY8uSRnpa09Xh3mgLw_Py1Hk3g6e3kdDaex5QmEWKMCIbBQGei8QNACSimVxQwEZra0jCJCZ1OnNktKDWkKAqxMU9VdBIgBudvr7lzz1aIPZlP5HOvabrFpvdFUMqFS3oE3B7DNNliYnas21v2Y_3gdEO-Bygf8Pv6t-zRKC52Y5Xxh3uYwlosJNx8df7vnbe7NumndtstpGDV_NZtjzeIXUeFpZw</recordid><startdate>20080326</startdate><enddate>20080326</enddate><creator>Akola, Jaakko</creator><creator>Walter, Michael</creator><creator>Whetten, Robert L</creator><creator>Häkkinen, Hannu</creator><creator>Grönbeck, Henrik</creator><general>American Chemical Society</general><scope>BSCLL</scope><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>7X8</scope></search><sort><creationdate>20080326</creationdate><title>On the Structure of Thiolate-Protected Au25</title><author>Akola, Jaakko ; Walter, Michael ; Whetten, Robert L ; Häkkinen, Hannu ; Grönbeck, Henrik</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a258t-7e6833ed6b87cde8738f446aeb83ebafa10ee852079ab5f7899838a499679a383</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2008</creationdate><topic>Crystallography, X-Ray</topic><topic>Ligands</topic><topic>Models, Chemical</topic><topic>Models, Molecular</topic><topic>Molecular Structure</topic><topic>Nanoparticles - chemistry</topic><topic>Organogold Compounds - chemistry</topic><topic>Sulfhydryl Compounds - chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Akola, Jaakko</creatorcontrib><creatorcontrib>Walter, Michael</creatorcontrib><creatorcontrib>Whetten, Robert L</creatorcontrib><creatorcontrib>Häkkinen, Hannu</creatorcontrib><creatorcontrib>Grönbeck, Henrik</creatorcontrib><collection>Istex</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>MEDLINE - Academic</collection><jtitle>Journal of the American Chemical Society</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Akola, Jaakko</au><au>Walter, Michael</au><au>Whetten, Robert L</au><au>Häkkinen, Hannu</au><au>Grönbeck, Henrik</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>On the Structure of Thiolate-Protected Au25</atitle><jtitle>Journal of the American Chemical Society</jtitle><addtitle>J. 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| language | eng |
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| source | ACS Publications; MEDLINE |
| subjects | Crystallography, X-Ray Ligands Models, Chemical Models, Molecular Molecular Structure Nanoparticles - chemistry Organogold Compounds - chemistry Sulfhydryl Compounds - chemistry |
| title | On the Structure of Thiolate-Protected Au25 |
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