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RESEARCH PRODUCT
Robust, Highly Luminescent Au13 Superatoms Protected by N-Heterocyclic Carbenes
Sami KaappaKevin G. StamplecoskieTetyana I. LevchenkoSami MalolaLarry A. CalhounCathleen M. CruddenCathleen M. CruddenAli NazemiMina R. NarouzHannu HäkkinenPaul A. LummisShinjiro TakanoTatsuya TsukudaTatsuya TsukudaGoonay Yousefalizadehsubject
LigandChemistryBand gapIcosahedral symmetrySuperatomGeneral Chemistry010402 general chemistry01 natural sciencesBiochemistryCatalysis0104 chemical sciencesNanoclusterschemistry.chemical_compoundCrystallographyColloid and Surface ChemistryCluster (physics)Density functional theoryPhosphinedescription
Gold superatom nanoclusters stabilized entirely by N-heterocyclic carbenes (NHCs) and halides are reported. The reduction of well-defined NHC–Au–Cl complexes produces clusters comprised of an icosahedral Au13 core surrounded by a symmetrical arrangement of nine NHCs and three chlorides. X-ray crystallography shows that the clusters are characterized by multiple CH−π and π–π interactions, which rigidify the ligand and likely contribute to the exceptionally high photoluminescent quantum yields observed, up to 16.0%, which is significantly greater than that of the most luminescent ligand-protected Au13 superatom cluster. Density functional theory analysis suggests that clusters are 8-electron superatoms with a wide HOMO–LUMO energy gap of 2 eV. Consistent with this, the clusters have high stability relative to phosphine stabilized clusters.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2019-09-09 | Journal of the American Chemical Society |