Communications

Radical change in the structure of Au₂₅(SR)₁₈ thiolate clusters after removal of bridging S*R groups from six (SR)Au(S*R)Au(SR) ‘staples’

N. G. Nikitenko, A. F. Shestakov

Federal Research Center of Problems of Chemical Physics and Medicinal Chemistry, Russian Academy of Sciences, 142432 Chernogolovka, Moscow Region, Russian Federation

Abstract: The structure of symmetrical thiolate cluster Au₂₅(SR)₁₈ becomes asymmetrical after the removal of all bridging S*R groups from the six staple fragments (SR)Au(S*R)Au(SR). This is accompanied by the formation of new Au₃ and Au₄ active sites.

Keywords: gold cluster, geometric structure, catalyst, DFT calculations, relativistic approach.

Received: 17.07.2025
Accepted: 26.09.2025

Language: English

DOI: 10.71267/mencom.7875