Is the largest aqueous gold cluster a superatom complex? Electronic structure & optical response of the structurally determined Au 146 ( p -MBA) 57

2017/01/01 by Xóchitl López-Lozano, Germán Plascencia-Villa, Germán Plascencia‐Villa +4
Chemistry · Materials Science · Physics and Astronomy · #Advanced Nanomaterials in Catalysis #Aqueous solution #Atom (system on chip) #Atomic physics #Chemical physics #Chemistry #Cluster (spacecraft) #Computational chemistry #Computer science #Crystallography #Electronic structure #Gold and Silver Nanoparticles Synthesis and Applications #Gold cluster #Icosahedral symmetry #Materials science #Molecular physics #Nanocluster Synthesis and Applications #Physical chemistry #Physics #Superatom #cond-mat.mes-hall

paper · pdf · doi:10.1039/c7nr04764a

published as Nanoscale, 2017, 9, 18629

openalex publication_date 2017/01/01 · arxiv created 2017/07/02 · openalex created_date 2017/07/14 · arxiv updated 2018/05/08 · openalex updated_date 2026/08/05

Abstract

The novel structure-determined Au ₁₄₆ (SCH ₃ ) ₅₇ cluster has no super-atom character, unlike the icosahedral Au ₁₄₄ (SCH ₃ ) ₆₀ , and does not derive its stability from an electronic shell closure.

Citations

• Synthesis and Bioconjugation of 2 and 3 nm-Diameter Gold Nanoparticles
• From ultrasoft pseudopotentials to the projector augmented-wave method
• Generalized Gradient Approximation Made Simple
• Self-interaction correction to density-functional approximations for many-electron systems
• Ab initiomolecular dynamics for liquid metals
• A unified view of ligand-protected gold clusters as superatom complexes