Magnetic moment quenching in small Pd clusters in solution

Small palladium clusters in vacuum show pronounced magnetic moments. With the help of Born-Oppenheimer molecular dynamics simulations based on density functional theory, we investigate for the paradigmatic examples of the Pd-13 and the Pd-8 cluster whether these magnetic moments prevail when the clusters are solvated. Our results show that the interaction with acetophenone quenches the magnetic moment. The reduction of the magnetic moment is a direct consequence of the electronic interaction between the Pd clusters and the solvent molecules, and not an indirect effect due to a different cluster geometry being stabilized by the solvation shell.

Automated summary

In the presence of acetophenone, the magnetic moments of small palladium clusters are reduced, indicating a direct consequence of electronic interaction between the Pd clusters and solvent molecules. This reduction in magnetic moment is not due to a different cluster geometry being stabilized by the solvation shell.