Work

Evaluating Aromaticity in Ag6Ru and Ag10Ru as Electron‐Precise Superatom Clusters

Year: 2025

Type: article

Abstract: Herein, the superatomic characteristics of the favorable global minima of electron precise clusters are evaluated, leading to stable species featuring catalytic reactive sites and inherent aromaticity in both planar and spherical realms. The results show that Ag6Ru exhibits an electron‐precise ten‐electron 1S21P1D planar superatomic electron shell structure, related to the 1S21P61D10 18‐electron structure of the spherical Ag10Ru cluster, involving seven and ten reactive sites. The favorable electronic structure in such related clusters exhibits diatropic ring currents and long‐range shielded regions, supporting the respective planar‐ and 3D aromatic character. Hence, further planar and 3D relationship between electron precise clusters may trigger a fundamental rationalization in finding stable and useful targets for undergoing catalytic activity for reactions such as oxygen reduction reaction, extending similarities between different cluster shapes at certain sizes.

Source: ChemPhysChem

DOI: 10.1002/cphc.202401118

Authors: Mesías Orozco‐Ic, Peter L. Rodríguez‐Kessler, Alvaro Muñoz‐Castro

Institutions: Universidad Nacional Autónoma de México, Centro de Investigaciones en Optica, San Sebastián University

Language: English

Topic: Inorganic Chemistry and Materials

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $4,550

Funder: Fondo Nacional de Desarrollo Científico y Tecnológico