Ligand-Induced Cuboctahedral versus Icosahedral Core Isomerism within Eight-Electron Heterocyclic-Carbene-Protected Gold Nanoclusters - Université de Rennes Accéder directement au contenu
Article Dans Une Revue Inorganic Chemistry Année : 2022

Ligand-Induced Cuboctahedral versus Icosahedral Core Isomerism within Eight-Electron Heterocyclic-Carbene-Protected Gold Nanoclusters

Résumé

The controlled structural modification of ligand-protected gold clusters is evaluated by a proper variation of the size and shape of N-heterocyclic carbene (NHC) ligands. Density functional theory calculations show that the Au(13) core of [Au(13)(NHC)(8)Br(4)](+) can be shaped into an icosahedron and/or a so far unexpected cuboctahedron depending on the sterical effect inferred by the NHC ligand side arms. As a result, the cluster properties can be modified, encouraging further exploration on controlled core isomerization in ligated gold cluster chemistry.
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Dates et versions

hal-03716475 , version 1 (03-03-2023)

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Jianyu Wei, Samia Kahlal, Jean-François Halet, Alvaro Muñoz-Castro, Jean-Yves Saillard. Ligand-Induced Cuboctahedral versus Icosahedral Core Isomerism within Eight-Electron Heterocyclic-Carbene-Protected Gold Nanoclusters. Inorganic Chemistry, 2022, 61 (23), pp.8623-8628. ⟨10.1021/acs.inorgchem.2c01022⟩. ⟨hal-03716475⟩
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