http://www.cnr.it/ontology/cnr/individuo/prodotto/ID297548

Au-24(SAdm)(16) Nanomolecules: X-ray Crystal Structure, Theoretical Analysis, Adaptability of Adamantane Ligands to Form Au-23(SAdm)(16) and Au-25(SAdm)(16), and Its Relation to Au-25(SR)(18) (Articolo in rivista)

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Au-24(SAdm)(16) Nanomolecules: X-ray Crystal Structure, Theoretical Analysis, Adaptability of Adamantane Ligands to Form Au-23(SAdm)(16) and Au-25(SAdm)(16), and Its Relation to Au-25(SR)(18) (Articolo in rivista) (literal)

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Crasto, David; Barcaro, Giovanni; Stener, Mauro; Sementa, Luca; Fortunelli, Alessandro; Dass, Amala (2014)
Au-24(SAdm)(16) Nanomolecules: X-ray Crystal Structure, Theoretical Analysis, Adaptability of Adamantane Ligands to Form Au-23(SAdm)(16) and Au-25(SAdm)(16), and Its Relation to Au-25(SR)(18)
in Journal of the American Chemical Society (Print); ACS, American chemical society, Washington, DC (Stati Uniti d'America)
(literal)

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Crasto, David; Barcaro, Giovanni; Stener, Mauro; Sementa, Luca; Fortunelli, Alessandro; Dass, Amala (literal)

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University of Mississippi; Consiglio Nazionale delle Ricerche (CNR); Consiglio Nazionale delle Ricerche (CNR); University of Trieste (literal)

Titolo

Au-24(SAdm)(16) Nanomolecules: X-ray Crystal Structure, Theoretical Analysis, Adaptability of Adamantane Ligands to Form Au-23(SAdm)(16) and Au-25(SAdm)(16), and Its Relation to Au-25(SR)(18) (literal)

Abstract

Here we present the crystal structure, experimental and theoretical characterization of a Au-24(SAdm)(16) nanomolecule. The composition was verified by X-ray crystallography and mass spectrometry, and its optical and electronic properties were investigated via experiments and first-principles calculations. Most importantly, the focus of this work is to demonstrate how the use of bulky thiolate ligands, such as adamantanethiol, versus the commonly studied phenylethanethiolate ligands leads to a great structural flexibility, where the metal core changes its shape from five-fold to crystalline-like motifs and can adapt to the formation of Au24+/-1(SAdm)(16), namely, Au-23(SAdm)(16), Au-24(SAdm)(16), and Au-25(SAdm)(16). The basis for the construction of a thermodynamic phase diagram of Au nanomolecules in terms of ligands and solvent features is also outlined. (literal)

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