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RESEARCH PRODUCT
A DFT Study of Linear Gold–Thiolate Superclusters Absorbing in the Therapeutic NIR Window
Hannu HäkkinenSami MalolaLauri Lehtovaarasubject
ta114Icosahedral symmetryChemistrySuperatomNanotechnologyAspect ratio (image)MetalCore (optical fiber)Crystallographyvisual_artvisual_art.visual_art_mediumCluster (physics)General Materials ScienceDensity functional theoryPhysical and Theoretical ChemistryAbsorption (electromagnetic radiation)ta116description
A series of linear clusters up to an aspect ratio of 1:6, formed as multimers of smaller clusters with an icosahedral Au13(5+) core having an eight-electron superatom configuration, are computationally predicted to have a greatly enhanced size-dependent absorption in the near-infrared (NIR) region extending to the biologically important NIR window. A novel structural model is presented for the previously isolated thiol-stabilized Au54(SR)30 cluster, where the metal core is formed as a heterodimer of the cores of the known Au25(SR)18(-/0) and Au38(SR)24 clusters.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2015-08-14 | The Journal of Physical Chemistry Letters |