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Ag44_0601_formal_preprint.pdf (1.19 MB)
Interactions between Ultrastable Na4Ag44(SR)30 Nanoclusters and Coordinating Solvents: Uncovering the Atomic-scale Mechanism
Preprints are manuscripts made publicly available before they have been submitted for formal peer review and publication. They might contain new research findings or data. Preprints can be a draft or final version of an author's research but must not have been accepted for publication at the time of submission.
submitted on 01.06.2020 and posted on 03.06.2020by Daniel M. Chevrier, Brian
E. Conn, Bo Li, De-En Jiang, Terry P. Bigioni, Amares Chatt, Peng Zhang
We report the mechanism on the ultrahigh stability of Na4Ag44(SR)30
by uncovering how coordinating solvents interact with the Na4Ag44(SR)30
nanocluster at the atomic scale. Through synchrotron X-ray experiments and theoretical
calculations, it was found that strongly coordinating aprotic solvents interact
with surface Ag atoms, particularly between ligand bundles, which compresses
the Ag core and relaxes surface metal-ligand interactions. Furthermore, water
was used as a cosolvent to demonstrate that semi-aqueous conditions play an
important role in protecting exposed surface regions and can further influence
the local structure of the silver nanocluster itself. Notably, under
semi-aqueous conditions, aprotic coordinating solvent molecules preferentially
remain on the metal surface while water molecules interact with ligands, and
ligand bundling persisted across the varied solvation conditions.