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Nanomaterials 2019, 9(3), 457; https://doi.org/10.3390/nano9030457

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.
Received: 21 February 2019 / Revised: 13 March 2019 / Accepted: 16 March 2019 / Published: 19 March 2019
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Abstract

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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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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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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