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2019-03-19Zeitschriftenartikel DOI: 10.3390/nano9030457
Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations
Comby-Zerbino, Clothilde
Perić Bakulić, Martina cc
Bertorelle, Franck
Chirot, Fabien cc
Dugourd, Philippe
Bonačić-Koutecký, Vlasta
Antoine, Rodolphe
Mathematisch-Naturwissenschaftliche Fakultät
Thiolate-protected metal nanoclusters have highly size- and structure-dependent physicochemical properties and are a promising class of nanomaterials. As a consequence, for the rationalization of their synthesis and for the design of new clusters with tailored properties, a precise characterization of their composition and structure at the atomic level is required. We report a combined ion mobility-mass spectrometry approach with density functional theory (DFT) calculations for determination of the structural and optical properties of ultra-small gold nanoclusters protected by thioglycolic acid (TGA) as ligand molecules, Au10(TGA)10. Collision cross-section (CCS) measurements are reported for two charge states. DFT optimized geometrical structures are used to compute CCSs. The comparison of the experimentally- and theoretically-determined CCSs allows concluding that such nanoclusters have catenane structures.
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(CC BY 4.0) Attribution 4.0 International(CC BY 4.0) Attribution 4.0 International
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DOI
10.3390/nano9030457
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https://doi.org/10.3390/nano9030457
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<a href="https://doi.org/10.3390/nano9030457">https://doi.org/10.3390/nano9030457</a>