ArTS Archivio della ricerca di Trieste

We report the complete X-ray crystallographic structure as determined through single-crystal X-ray diffraction and a thorough theoretical analysis of the green gold Au30(S-tBu)18. While the structure of Au30S(S-tBu)18 with 19 sulfur atoms has been reported, the crystal structure of Au30(S-tBu)18 without the μ3-sulfur has remained elusive until now, though matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS) and electrospray ionization mass spectrometry (ESI-MS) data unequivocally show its presence in abundance. The Au30(S-tBu)18 nanomolecule not only is distinct in its crystal structure but also has unique temperature-dependent optical properties. Structure determination allows a rigorous comparison and an excellent agreement with theoretical predictions of structure, stability, and optical response.

Crystal Structure and Theoretical Analysis of Green Gold Au30(S-tBu)18 Nanomolecules and Their Relation to Au30S(S-tBu)18

BASEGGIO, OSCAR;STENER, MAURO;
2016-01-01

Abstract

We report the complete X-ray crystallographic structure as determined through single-crystal X-ray diffraction and a thorough theoretical analysis of the green gold Au30(S-tBu)18. While the structure of Au30S(S-tBu)18 with 19 sulfur atoms has been reported, the crystal structure of Au30(S-tBu)18 without the μ3-sulfur has remained elusive until now, though matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS) and electrospray ionization mass spectrometry (ESI-MS) data unequivocally show its presence in abundance. The Au30(S-tBu)18 nanomolecule not only is distinct in its crystal structure but also has unique temperature-dependent optical properties. Structure determination allows a rigorous comparison and an excellent agreement with theoretical predictions of structure, stability, and optical response.
{% } %}
{%# o.licenseName %}
File in questo prodotto:
File Dimensione Formato  
jpcc120_6256.pdf

Accesso chiuso

Descrizione: articolo principale
Tipologia: Documento in Versione Editoriale
Licenza: Digital Rights Management non definito
Dimensione 4.93 MB
Formato Adobe PDF
  Visualizza/Apri   Richiedi una copia
4.93 MB Adobe PDF   Visualizza/Apri   Richiedi una copia
2881618_jpcc120_6256-PostPrint.pdf

accesso aperto

Descrizione: Post Print VQR3
Tipologia: Bozza finale post-referaggio (post-print)
Licenza: Digital Rights Management non definito
Dimensione 5.48 MB
Formato Adobe PDF
Visualizza/Apri
5.48 MB Adobe PDF Visualizza/Apri
Pubblicazioni consigliate

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11368/2881618
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
'); $.ajax({ url: '/itemExternalCitation/pmc/get.json', dataType: 'json', data: { discriminator: 'pmc', itemId: 'e2913fe6-db7e-f688-e053-3705fe0a67e0', forceUpdate: forceUpdate } }).done(function(adata) { $('#pmcCitedResultTotal').tooltip('dispose'); $('#pmcCitedResultTotal').prop("onclick", null).off("click"); if (adata.total==null){ $('#pmcCitedResultTotal').html('ND'); } else { $('#pmcCitedResultTotal').html(adata.total); } var year=new Date().getFullYear(); pmcChartData[0] = (adata.yearTotalMap[''+(year-5)]!=null ? adata.yearTotalMap[''+(year-5)] : 0); pmcChartData[1] = (adata.yearTotalMap[''+(year-4)]!=null ? adata.yearTotalMap[''+(year-4)] : 0); pmcChartData[2] = (adata.yearTotalMap[''+(year-3)]!=null ? adata.yearTotalMap[''+(year-3)] : 0); pmcChartData[3] = (adata.yearTotalMap[''+(year-2)]!=null ? adata.yearTotalMap[''+(year-2)] : 0); pmcChartData[4] = (adata.yearTotalMap[''+(year-1)]!=null ? adata.yearTotalMap[''+(year-1)] : 0); pmcChartData[5] = (adata.yearTotalMap[''+year]!=null ? adata.yearTotalMap[''+year] : 0); drawChart(); }).always(function(adata){ //console.log('end pmcUpdateCitation'); runningExternal=false; }); }
  • Scopus 77
    • '); $.ajax({ url: '/itemExternalCitation/scopus/get.json', dataType: 'json', data: { discriminator: 'scopus', itemId: 'e2913fe6-db7e-f688-e053-3705fe0a67e0', forceUpdate: forceUpdate } }).done(function(adata) { $('#scopusCitedResultTotal').tooltip('dispose'); $('#scopusCitedResultTotal').prop("onclick", null).off("click"); if (adata.total==null){ $('#scopusCitedResultTotal').html('77'); } else { $('#scopusCitedResultTotal').html(adata.total); } var year=new Date().getFullYear(); scopusChartData[0] = (adata.yearTotalMap[''+(year-5)]!=null ? adata.yearTotalMap[''+(year-5)] : 0); scopusChartData[1] = (adata.yearTotalMap[''+(year-4)]!=null ? adata.yearTotalMap[''+(year-4)] : 0); scopusChartData[2] = (adata.yearTotalMap[''+(year-3)]!=null ? adata.yearTotalMap[''+(year-3)] : 0); scopusChartData[3] = (adata.yearTotalMap[''+(year-2)]!=null ? adata.yearTotalMap[''+(year-2)] : 0); scopusChartData[4] = (adata.yearTotalMap[''+(year-1)]!=null ? adata.yearTotalMap[''+(year-1)] : 0); scopusChartData[5] = (adata.yearTotalMap[''+year]!=null ? adata.yearTotalMap[''+year] : 0); drawChart(); }).always(function(adata){ //console.log('end scopusUpdateCitation'); runningExternal=false; }); }
  • ???jsp.display-item.citation.isi??? 74
    • '); $.ajax({ url: '/itemExternalCitation/isi/get.json', dataType: 'json', data: { discriminator: 'isi', itemId: 'e2913fe6-db7e-f688-e053-3705fe0a67e0', forceUpdate: forceUpdate } }).done(function(adata) { $('#isiCitedResultTotal').tooltip('dispose'); $('#isiCitedResultTotal').prop("onclick", null).off("click"); if (adata.total==null){ $('#isiCitedResultTotal').html('74'); } else { $('#isiCitedResultTotal').html(adata.total); } var year=new Date().getFullYear(); isiChartData[0] = (adata.yearTotalMap[''+(year-5)]!=null ? adata.yearTotalMap[''+(year-5)] : 0); isiChartData[1] = (adata.yearTotalMap[''+(year-4)]!=null ? adata.yearTotalMap[''+(year-4)] : 0); isiChartData[2] = (adata.yearTotalMap[''+(year-3)]!=null ? adata.yearTotalMap[''+(year-3)] : 0); isiChartData[3] = (adata.yearTotalMap[''+(year-2)]!=null ? adata.yearTotalMap[''+(year-2)] : 0); isiChartData[4] = (adata.yearTotalMap[''+(year-1)]!=null ? adata.yearTotalMap[''+(year-1)] : 0); isiChartData[5] = (adata.yearTotalMap[''+year]!=null ? adata.yearTotalMap[''+year] : 0); drawChart(); }).always(function(adata){ //console.log('end isiUpdateCitation'); runningExternal=false; }); }
    social impact