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Confirmation of a de novo structure prediction for an atomically precise monolayer-coated silver nanoparticle.
Sci Adv ; 2(11): e1601609, 2016 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-28138537
ABSTRACT
Fathoming the principles underpinning the structures of monolayer-coated molecular metal nanoparticles remains an enduring challenge. Notwithstanding recent x-ray determinations, coveted veritable de novo structural predictions are scarce. Building on recent syntheses and de novo structure predictions of M3Au x Ag17-x (TBBT)12, where M is a countercation, x = 0 or 1, and TBBT is 4-tert-butylbenzenethiol, we report an x-ray-determined structure that authenticates an a priori prediction and, in conjunction with first-principles theoretical analysis, lends force to the underlying forecasting methodology. The predicted and verified Ag(SR)3 monomer, together with the recently discovered Ag2(SR)5 dimer and Ag3(SR)6 trimer, establishes a family of unique mount motifs for silver thiolate nanoparticles, expanding knowledge beyond the earlier-known Au-S staples in thiol-capped gold nanoclusters. These findings demonstrate key principles underlying ligand-shell anchoring to the metal core, as well as unique T-like benzene dimer and cyclic benzene trimer ligand bundling configurations, opening vistas for rational design of metal and alloy nanoparticles.

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Texto completo: Disponível Coleções: Bases de dados internacionais Base de dados: MEDLINE Aspecto clínico: Predição / Prognóstico Idioma: Inglês Revista: Sci Adv Ano de publicação: 2016 Tipo de documento: Artigo País de afiliação: Estados Unidos