Spherical aromaticity in icosahedral and tetrahedral gold clusters: insights from 8-, 18- and 20-ce Au135+, W@Au12, and Au20 clusters.

Puntos clave

• This research investigates the concept of spherical aromaticity in specific gold clusters, aiming to link classical aromaticity to these new structures.
• Evaluated aromaticity in gold clusters: Au13^5+, W@Au12, and Au20.
• Applied alternative evaluation methods to connect spherical and planar aromatic species.
• Analyzed electron counts and their influence on shielding cone properties.
• Identified specific electron counts that enhance spherical aromaticity.
• Established links between classical aromatics and gold clusters' shielding cone characteristics.
• Provided insights that unify the understanding of aromatic species beyond traditional definitions.