Next Article in Journal
Versatile Multi-Functional Block Copolymers Made by Atom Transfer Radical Polymerization and Post-Synthetic Modification: Switching from Volatile Organic Compound Sensors to Polymeric Surfactants for Water Rheology Control via Hydrolysis
Previous Article in Journal
Homogeneous Embedding of Magnetic Nanoparticles into Polymer Brushes during Simultaneous Surface-Initiated Polymerization
Previous Article in Special Issue
Intramolecular Metal Exchange Reaction Promoted by Thiol Ligands
Article Menu
Issue 3 (March) cover image

Export Article

Open AccessFeature PaperArticle

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

Institut Lumière Matière UMR 5306, Université Claude Bernard Lyon 1, CNRS, Univ Lyon, F-69100 Villeurbanne, France
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
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
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;
Received: 21 February 2019 / Revised: 13 March 2019 / Accepted: 16 March 2019 / Published: 19 March 2019
PDF [1023 KB, uploaded 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

Graphical abstract

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).

Supplementary material


Share & Cite This Article

MDPI and ACS Style

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.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics



[Return to top]
Nanomaterials EISSN 2079-4991 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top