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Open AccessFeature PaperArticle

Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations

1
Institut Lumière Matière UMR 5306, Université Claude Bernard Lyon 1, CNRS, Univ Lyon, F-69100 Villeurbanne, France
2
Center of Excellence for Science and Technology-Integration of Mediterranean region (STIM) at Interdisciplinary Center for Advanced Sciences and Technology (ICAST), University of Split, Poljička cesta 35, HR-21000 Split, Croatia
3
Institut des Sciences Analytiques UMR 5280, Université Claude Bernard Lyon 1, ENS de Lyon, CNRS, Univ Lyon, 5 rue de la Doua, F-69100 Villeurbanne, France
4
Department of Chemistry, Humboldt Universitat zu Berlin, Brook-Taylor-Strasse 2, 12489 Berlin, Germany
*
Author to whom correspondence should be addressed.
Nanomaterials 2019, 9(3), 457; https://doi.org/10.3390/nano9030457
Received: 21 February 2019 / Revised: 13 March 2019 / Accepted: 16 March 2019 / Published: 19 March 2019
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. View Full-Text
Keywords: gold nanoclusters; thiolate; catenane; ion mobility; DFT calculations gold nanoclusters; thiolate; catenane; ion mobility; DFT calculations
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Comby-Zerbino, C.; Perić, M.; Bertorelle, F.; Chirot, F.; Dugourd, P.; Bonačić-Koutecký, V.; Antoine, R. Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations. Nanomaterials 2019, 9, 457.

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