Evaluation of N‑Heterocyclic Carbene Counterparts of Classical Gold Clusters; Bonding Properties of Octahedral CAu6, Icosahedral Au13Cl2, and Bi-icosahedral Au25Cl2 Cores from Relativistic DFT Calculations

Gold clusters are useful templates for nanosized species retaining a distinctive size-dependent behavior. Usually, a ligand-protected shell passivates such clusters, where their properties can be potentially tuned by introduction of versatile ligands. Here, we explored the recent addition to the wel...

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Veröffentlicht in:Journal of physical chemistry. C 2019-05, Vol.123 (19), p.12466-12473
Hauptverfasser: MacLeod Carey, Desmond, Muñoz-Castro, Alvaro
Format: Artikel
Sprache:eng
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