Ligand (biochemistry)

Physics

Cluster (spacecraft)

Receptor

Organic chemistry

Gold cluster

Crystallography

Icosahedral symmetry

Optics

Density functional theory

Superatom

Computational chemistry

Luminescence

Chemistry

Programming language

Nanoclusters

Computer science

Photoluminescence

Optoelectronics

Biochemistry

Journal of the American Chemical Society

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.

Robust, Highly Luminescent Au<sub>13</sub> Superatoms Protected by N-Heterocyclic Carbenes

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

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