0000000001090183

AUTHOR

Paul A. Lummis

showing 7 related works from this author

Robust, Highly Luminescent Au13 Superatoms Protected by N-Heterocyclic Carbenes

2019

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 …

LigandChemistryBand gapIcosahedral symmetrySuperatomGeneral Chemistry010402 general chemistry01 natural sciencesBiochemistryCatalysis0104 chemical sciencesNanoclusterschemistry.chemical_compoundCrystallographyColloid and Surface ChemistryCluster (physics)Density functional theoryPhosphineJournal of the American Chemical Society
researchProduct

Synthesis and properties of an Au6 cluster supported by a mixed N-heterocyclic carbene–thiolate ligand

2020

The preparation of a novel Au6 cluster bearing a bidentate mixed carbene–thiolate ligand is presented. The length of linker between the central benzimidazole and thiolate has a strong effect on the formation of cluster products, with a C2 chain giving an Au6 cluster, while a C3 chain results in no evidence of cluster formation. Density functional theory analysis predicts a non-metallic cluster with a large HOMO–LUMO (3.2–3.6 eV) and optical gap.

BenzimidazoleDenticity010405 organic chemistryLigandMetals and AlloysGeneral Chemistry010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundCrystallographychemistryChain (algebraic topology)Materials ChemistryCeramics and CompositesCluster (physics)Density functional theoryCarbeneLinkerChemical Communications
researchProduct

NHC-Stabilized Au10 Nanoclusters and Their Conversion to Au25 Nanoclusters

2022

Herein, we describe the synthesis of a toroidal Au10 cluster stabilized by N-heterocyclic carbene and halide ligands via reduction of the corresponding NHC−Au−X complexes (X = Cl, Br, I). The significant effect of the halide ligands on the formation, stability, and further conversions of these clusters is presented. While solutions of the chloride derivatives of Au10 show no change even upon heating, the bromide derivative readily undergoes conversion to form a biicosahedral Au25 cluster at room temperature. For the iodide derivative, the formation of a significant amount of Au25 was observed even upon the reduction of NHC−Au−I. The isolated bromide derivative of the Au25 cluster displays a…

absorptiometal clustersanionitligandsnanohiukkasetliganditgoldanionsabsorptionkulta
researchProduct

Robust, Highly Luminescent Au13 Superatoms Protected by N-Heterocyclic Carbenes

2019

Gold superatom nanoclusters stabilized entirely by N-heterocyclic carbenes (NHCs) are reported. The reduction of well-defined NHC–Au–Cl complexes produces clusters com-prised of an icosahedral Au13 core surrounded by a symmetrical arrangement of 9 NHCs and 3 chlorides. X-ray crystallography shows that the clusters are characterized by multiple CH–π and π–π interactions, which rigidify the ligand and likely con-tribute to the exceptionally high photoluminescent quantum yields observed, up to 16.0 %, which is significantly greater than the most luminescent ligand-protected Au13 superatom cluster. Density functional theory analysis suggests that clus-ters are 8-electron superatoms with a wide …

nanoclustersnanohiukkasetcrystallographyröntgenkristallografiagold superatom nanoclusters
researchProduct

CCDC 1985367: Experimental Crystal Structure Determination

2020

Related Article: Kirsi Salorinne, Renee W. Y. Man, Paul A. Lummis, Maryam Sabooni Asre Hazer, Sami Malola, Jacky C.-H. Yim, Alex J. Veinot, Wenxia Zhou, Hannu Häkkinen, Masakazu Nambo, Cathleen M. Crudden|2020|Chem.Commun.|56|6102|doi:10.1039/D0CC01482F

Space GroupCrystallographyCrystal SystemCrystal Structure{1-[2-(acetylsulfanyl)ethyl]-3-isopropylbenzimidazol-2-ylidene}-bromo-gold(i)Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1985364: Experimental Crystal Structure Determination

2020

Related Article: Kirsi Salorinne, Renee W. Y. Man, Paul A. Lummis, Maryam Sabooni Asre Hazer, Sami Malola, Jacky C.-H. Yim, Alex J. Veinot, Wenxia Zhou, Hannu Häkkinen, Masakazu Nambo, Cathleen M. Crudden|2020|Chem.Commun.|56|6102|doi:10.1039/D0CC01482F

Space GroupCrystallographytetrakis(mu-1-isopropyl-3-(2-thiolatoethyl)benzimidazol-2-ylidene)-hexa-gold bis(hexafluorophosphate) ethanol solvate monohydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1886732: Experimental Crystal Structure Determination

2019

Related Article: Mina R. Narouz, Shinjiro Takano, Paul A. Lummis, Tetyana I. Levchenko, Ali Nazemi, Sami Kaappa, Sami Malola, Goonay Yousefalizadeh, Larry A. Calhoun, Kevin G. Stamplecoskie, Hannu H��kkinen, Tatsuya Tsukuda, Cathleen M. Crudden|2019|J.Am.Chem.Soc.|141|14997|doi:10.1021/jacs.9b07854

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersnonakis(mu-13-dibenzyl-13-dihydro-2H-benzimidazol-2-ylidene)-trichloro-trideca-gold bis(hexafluorophosphate) unknown solvateExperimental 3D Coordinates
researchProduct