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Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations
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...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6474107/ https://www.ncbi.nlm.nih.gov/pubmed/30893867 http://dx.doi.org/10.3390/nano9030457 |
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author | Comby-Zerbino, Clothilde Perić, Martina Bertorelle, Franck Chirot, Fabien Dugourd, Philippe Bonačić-Koutecký, Vlasta Antoine, Rodolphe |
author_facet | Comby-Zerbino, Clothilde Perić, Martina Bertorelle, Franck Chirot, Fabien Dugourd, Philippe Bonačić-Koutecký, Vlasta Antoine, Rodolphe |
author_sort | Comby-Zerbino, Clothilde |
collection | PubMed |
description | 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, Au(10)(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. |
format | Online Article Text |
id | pubmed-6474107 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-64741072019-05-03 Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations Comby-Zerbino, Clothilde Perić, Martina Bertorelle, Franck Chirot, Fabien Dugourd, Philippe Bonačić-Koutecký, Vlasta Antoine, Rodolphe Nanomaterials (Basel) Article 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, Au(10)(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. MDPI 2019-03-19 /pmc/articles/PMC6474107/ /pubmed/30893867 http://dx.doi.org/10.3390/nano9030457 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Comby-Zerbino, Clothilde Perić, Martina Bertorelle, Franck Chirot, Fabien Dugourd, Philippe Bonačić-Koutecký, Vlasta Antoine, Rodolphe Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations |
title | Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations |
title_full | Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations |
title_fullStr | Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations |
title_full_unstemmed | Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations |
title_short | Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations |
title_sort | catenane structures of homoleptic thioglycolic acid-protected gold nanoclusters evidenced by ion mobility-mass spectrometry and dft calculations |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6474107/ https://www.ncbi.nlm.nih.gov/pubmed/30893867 http://dx.doi.org/10.3390/nano9030457 |
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