title: Au10(SG)10: A Chiral Gold Catenane Nanocluster with Zero Confined Electrons. Optical Properties and First-Principles Theoretical Analysis.
abstract: We report facile synthesis of the Au10(SG)10nanoclusters, where SG stands for glutathione, found to be promising as a new class of radiosensitizers for cancer radiotherapy. The homoleptic catenane structure with two Au5SG5interconnected rings, among different isomer structures, gives the best agreement between theoretical and experimental optical spectra and XRD patterns. This catenane structure exhibits a centrosymmetry-broken structure, resulting in enhanced second harmonic response and new characteristic circular dichroism signals in the spectral region of 250-400 nm. This is the first determination of the nonlinear optical properties of a ligated cluster with an equal Au-to-ligand ratio, thus without a metallic core and therefore zero confined electrons. Insight into the nonlinear and chiroptical efficiencies arising from interplay between structural and electronic properties is provided by the TD-DFT approach.
authors.affiliation: Institut Lumière Matière, UMR 5306, Université Claude Bernard Lyon 1, CNRS , F-69622 Lyon, France.
authors.forename: Franck
authors.initials: F
authors.lastname: Bertorelle
authors.affiliation: Institut Lumière Matière, UMR 5306, Université Claude Bernard Lyon 1, CNRS , F-69622 Lyon, France.
authors.forename: Isabelle
authors.initials: I
authors.lastname: Russier-Antoine
authors.affiliation: Laboratoire de Chimie UMR 5182, Ecole Normale Supérieure de Lyon, CNRS Université Lyon 1 , 46 allée d'Italie, Lyon 69007, France.
authors.forename: Nathalie
authors.initials: N
authors.lastname: Calin
authors.affiliation: Institut Lumière Matière, UMR 5306, Université Claude Bernard Lyon 1, CNRS , F-69622 Lyon, France.
authors.forename: Clothilde
authors.initials: C
authors.lastname: Comby-Zerbino
authors.affiliation: Institut Lumière Matière, UMR 5306, Université Claude Bernard Lyon 1, CNRS , F-69622 Lyon, France.
authors.forename: Amina
authors.initials: A
authors.lastname: Bensalah-Ledoux
authors.affiliation: Institut Lumière Matière, UMR 5306, Université Claude Bernard Lyon 1, CNRS , F-69622 Lyon, France.
authors.forename: Stephan
authors.initials: S
authors.lastname: Guy
authors.affiliation: Institut Lumière Matière, UMR 5306, Université Claude Bernard Lyon 1, CNRS , F-69622 Lyon, France.
authors.forename: Philippe
authors.initials: P
authors.lastname: Dugourd
authors.affiliation: Institut Lumière Matière, UMR 5306, Université Claude Bernard Lyon 1, CNRS , F-69622 Lyon, France.
authors.forename: Pierre-François
authors.identifier: http://orcid.org/0000-0002-9097-0187
authors.initials: PF
authors.lastname: Brevet
authors.affiliation: Center of Excellence for Science and Technology-Integration of Mediterranean Region (STIM) at Interdisciplinary Center for Advanced Sciences and Technology (ICAST), University of Split , Meštrovićevo šetalište 45, HR-2100 Split, Republic of Croatia.|Faculty of Science, University of Split , Ruđera Boškovića 33, HR-2100 Split, Republic of Croatia.
authors.forename: Željka
authors.initials: Ž
authors.lastname: Sanader
authors.affiliation: Center of Excellence for Science and Technology-Integration of Mediterranean Region (STIM) at Interdisciplinary Center for Advanced Sciences and Technology (ICAST), University of Split , Meštrovićevo šetalište 45, HR-2100 Split, Republic of Croatia.
authors.forename: Marjan
authors.initials: M
authors.lastname: Krstić
authors.affiliation: Center of Excellence for Science and Technology-Integration of Mediterranean Region (STIM) at Interdisciplinary Center for Advanced Sciences and Technology (ICAST), University of Split , Meštrovićevo šetalište 45, HR-2100 Split, Republic of Croatia.|Department of Chemistry, Humboldt Universität zu Berlin , Brook-Taylor Strasse 2, 12489 Berlin, Germany.
authors.forename: Vlasta
authors.initials: V
authors.lastname: Bonačić-Koutecký
authors.affiliation: Institut Lumière Matière, UMR 5306, Université Claude Bernard Lyon 1, CNRS , F-69622 Lyon, France.
authors.forename: Rodolphe
authors.identifier: http://orcid.org/0000-0001-5682-8550
authors.initials: R
authors.lastname: Antoine