Aromaticity in a Surface Deposited Cluster: Pd$_4$ on TiO$_2$ (110)

TL;DR

This study demonstrates the first observation of -aromaticity in a surface-deposited Pd4 cluster on TiO2 (110), revealing potential implications for catalysis and surface chemistry.

Contribution

It reports the discovery of -aromaticity in a surface-deposited Pd4 cluster, a phenomenon not previously observed in such systems.

Findings

Pd4 adopts a flat, -aromatic structure on TiO2 (110)

Surface binding induces a change from tetrahedral to aromatic geometry

Aromaticity may influence catalytic properties of surface clusters

Abstract

We report the presence of \sigma-aromaticity in a surface deposited cluster, Pd$_4$ on TiO$_2$ (110). In the gas phase, Pd$_4$ adopts a tetrahedral structure. However, surface binding promotes a flat, \sigma-aromatic cluster. This is the first time aromaticity is found in surface deposited clusters. Systems of this type emerge as a promising class of catalyst, and so realization of aromaticity in them may help to rationalize their reactivity and catalytic properties, as a function of cluster size and composition.