Cuboctahedral Pd13 as a spherical Aromatic Noble Metal Core. Insights from ligand-protected [Pd13(Tr)6]2+ Cluster

Abstract

Low-valent palladium nanoparticles are efficient species promoting catalytic activity and selectivity in a number of chemical reactions. Recently, an atom-centered cuboctahedral Pd13 motif has been characterized as a ligand-protected [Pd13(Tr)6]2+ cluster featuring a 1S2 superatomic shell structure. In this report, we account for the ligand-cluster and endohedral-cage interaction in [Pd13(Tr)6]2+, which accounts for a favorable situation in the overall cluster. In addition, the spherical aromatic properties are evaluated to understand the behavior of the ligand-protected Pd13 cluster core. Our results denote a sizable interaction towards carbon-based ligands in an overall spherical aromatic cluster featuring a long-range shielding cone. Thus, [Pd13(Tr)6]2+ is rationalized as the first ligand-protected palladium cluster to date featuring spherical aromatic properties, serving as a stable building block for molecular-based materials or as a dopant in porous carbon materials.

Supplementary files

Article information

Article type
Paper
Submitted
05 Jun 2024
Accepted
02 Sep 2024
First published
05 Sep 2024

Dalton Trans., 2024, Accepted Manuscript

Cuboctahedral Pd13 as a spherical Aromatic Noble Metal Core. Insights from ligand-protected [Pd13(Tr)6]2+ Cluster

J. Wei, P. L. Rodríguez-Kessler, J. Saillard and A. Muñoz-Castro, Dalton Trans., 2024, Accepted Manuscript , DOI: 10.1039/D4DT01633E

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