High-resolution crystal structure of a 20 kDa superfluorinated gold nanocluster

Claudia Pigliacelli, Angela Acocella, Isabel Díez, Luca Moretti, Valentina Dichiarante (), Nicola Demitri, Hua Jiang, Margherita Maiuri, Robin H. A. Ras, Francesca Baldelli Bombelli, Giulio Cerullo, Francesco Zerbetto, Pierangelo Metrangolo () and Giancarlo Terraneo ()
Additional contact information
Claudia Pigliacelli: Laboratory of Supramolecular and Bio-Nanomaterials (SupraBioNanoLab), Department of Chemistry, Materials, and Chemical Engineering “Giulio Natta”, Politecnico di Milano
Angela Acocella: Università di Bologna, V. F. Selmi 2
Isabel Díez: Aalto University School of Science
Luca Moretti: IFN-CNR, Dipartimento di Fisica, Politecnico di Milano
Valentina Dichiarante: Laboratory of Supramolecular and Bio-Nanomaterials (SupraBioNanoLab), Department of Chemistry, Materials, and Chemical Engineering “Giulio Natta”, Politecnico di Milano
Nicola Demitri: Elettra-Sincrotrone Trieste S.S. 14 Km 163.5 in Area Science Park, 34149 Basovizza
Hua Jiang: Aalto University School of Science
Margherita Maiuri: IFN-CNR, Dipartimento di Fisica, Politecnico di Milano
Robin H. A. Ras: Aalto University School of Science
Francesca Baldelli Bombelli: Laboratory of Supramolecular and Bio-Nanomaterials (SupraBioNanoLab), Department of Chemistry, Materials, and Chemical Engineering “Giulio Natta”, Politecnico di Milano
Giulio Cerullo: IFN-CNR, Dipartimento di Fisica, Politecnico di Milano
Francesco Zerbetto: Università di Bologna, V. F. Selmi 2
Pierangelo Metrangolo: Laboratory of Supramolecular and Bio-Nanomaterials (SupraBioNanoLab), Department of Chemistry, Materials, and Chemical Engineering “Giulio Natta”, Politecnico di Milano
Giancarlo Terraneo: Laboratory of Supramolecular and Bio-Nanomaterials (SupraBioNanoLab), Department of Chemistry, Materials, and Chemical Engineering “Giulio Natta”, Politecnico di Milano

Nature Communications, 2022, vol. 13, issue 1, 1-8

Abstract: Abstract Crystallization of atomically precise nanoclusters is gaining increasing attention, due to the opportunity of elucidating both intracluster and intercluster packing modes, and exploiting the functionality of the resulting highly pure crystallized materials. Herein, we report the design and single-crystal X-ray structure of a superfluorinated 20 kDa gold nanocluster, with an Au25 core coated by a shell of multi-branched highly fluorinated thiols (SF27) resulting in almost 500 fluorine atoms, i.e., ([Au25(SF27)18]0). The cluster shows a switchable solubility in the fluorous phase. X-ray analysis and computational studies reveal the key role of both intracluster and intercluster F···F contacts in driving [Au25(SF27)18]0 crystal packing and stabilization, highlighting the ability of multi-branched fluorinated thiols to endow atomically precise nanoclusters with remarkable crystallogenic behavior.

Date: 2022
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DOI: 10.1038/s41467-022-29966-2

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